smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCNC(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@@H]1C(=O)N1CCC[C@@H]1C(=O)OC 3839096 WFTBGBVURIOCGP-UAGQMJEPSA-N 431.493 0.257 30 10 ICEE NC(=NO)c1ccc(CNC(=O)[C@H]2CCN2C(=O)[C@@H](NCC(=O)O)C2CCCCC2)cc1 256069707 NIPUHXUEGZHFLD-MJGOQNOKSA-N 445.520 0.621 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)nc1 518399229 UEOPROPGAFHVPE-RTBURBONSA-N 442.497 0.973 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 555238268 JUHGAPVLLMMYLO-JTDSTZFVSA-N 441.554 0.571 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c(F)c1 586860186 VXJNASOQWACDCH-UHFFFAOYSA-N 429.496 0.907 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCN(C)CC1 619175545 CVOAXTKDEBCXHL-UHFFFAOYSA-N 448.552 0.611 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 680516451 FOZRNEURWGQXBC-UHFFFAOYSA-N 436.578 0.645 30 10 ICEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c[nH]1 753359376 QEAZFQOJXRUBIY-CQSZACIVSA-N 444.513 0.231 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780678133 LCZCVQVYTWXLPR-JOCHJYFZSA-N 430.505 0.518 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 803698118 FHNWENFZOVSNEV-UHFFFAOYSA-N 448.497 0.861 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2nccnn2)CC1 1148680167 LXIPCQZEVIWHQN-UHFFFAOYSA-N 443.533 0.819 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2cccc(C)c2)CC1 1152973736 MZJPYOWROGPFTG-QUCCMNQESA-N 432.546 0.516 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286399151 ZTWVCFFMGXMUDU-KZNAEPCWSA-N 438.550 0.952 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286789982 JJUIBSKLIKHRLR-ZIAGYGMSSA-N 443.533 0.287 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1286816673 MJDMGMFOJHTWPU-UHFFFAOYSA-N 437.522 0.742 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 1297649219 AWUHVSUYSZJLNZ-HIFRSBDPSA-N 449.620 0.979 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300700600 SSUPPYISSKHACY-RBUKOAKNSA-N 436.626 0.912 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1359018944 HAEDJSLIPGDPIC-PXNSSMCTSA-N 440.566 0.841 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cncn2)CC1 1359178923 GRMVFERSKBGKIG-MRXNPFEDSA-N 436.542 0.305 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359304157 OFOPWQOGJXSJBR-CQSZACIVSA-N 445.549 0.629 30 10 ICEE C#CCN1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 1468753803 DUBDLXNWSRXQDI-UHFFFAOYSA-N 433.578 0.520 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)c1 1473650547 DQWMOBNHMPWRAT-QFIPXVFZSA-N 446.504 0.904 30 10 ICEE C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493959931 JEQVMNYSJDBAQF-BCHHYXHLSA-N 434.522 0.553 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1507623451 SKODQHYBWYPTLG-GJZGRUSLSA-N 429.568 0.481 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507634238 XYUKOKYZPJJUQI-IRXDYDNUSA-N 436.582 0.586 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCC2)CC1 1507738704 WBWBXSKSCCFNQS-IEBWSBKVSA-N 441.580 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1508141491 NEULOFQDVRGREV-CABCVRRESA-N 427.527 0.072 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539025383 HJEIOJKTISLSMW-HNNXBMFYSA-N 437.504 0.122 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539205769 KJPXKMFWYKKKGJ-OXJNMPFZSA-N 440.566 0.982 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1541117004 YGQXJKCFDHKNRS-CABCVRRESA-N 431.584 0.991 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCN(CCC#N)CC2)C1 1557981333 QGHOQRMSOQLPMH-DNVCBOLYSA-N 426.539 0.326 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCn2cncn2)c1 1587692627 HBTXBIMKYHBHMI-KRWDZBQOSA-N 433.476 0.577 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588055595 XYLLDJVBZMJYGJ-ZIAGYGMSSA-N 427.477 0.901 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 1588199640 VQSGWRKDGGGSFY-KNTRCKAVSA-N 442.497 0.662 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1595544068 FQFRCQVORQWBNZ-HNNXBMFYSA-N 438.488 0.817 30 10 ICEE COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619593890 MNOOSYHDAGZRES-HNNXBMFYSA-N 429.481 0.613 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1 1633614392 BLJXZAZVQFDSJG-UHFFFAOYSA-N 436.534 0.937 30 10 ICEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)C2)nc1 1637928016 FULMSFHJZZDDDG-RHSMWYFYSA-N 425.420 0.746 30 10 ICEE C#CCC1(O)CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1648148419 AGHKNQAQLVWELC-UHFFFAOYSA-N 435.546 0.174 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOC[C@@H]1CC(N)=O)CCCC2 1654760754 GKITZGZIERMQGA-JKSUJKDBSA-N 429.521 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 1678062874 YJFZKJWGLRZHHN-UHFFFAOYSA-N 430.534 0.596 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689978547 YBGWSLHFIULRLR-BRWVUGGUSA-N 437.566 0.594 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689987753 BQVKOUFLAVGOPU-HNAYVOBHSA-N 432.506 0.167 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689988008 HKMQBJFLOCRLKN-STQMWFEESA-N 442.339 0.765 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC)CC1 1690111603 GABIQJNIDIKGIZ-MRXNPFEDSA-N 432.550 0.700 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698320281 AVQLDCNHJMWJIT-INIZCTEOSA-N 435.579 0.656 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705510493 QOTZJEXWVKSOKW-HOCLYGCPSA-N 426.543 0.033 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CC(OCC)C2)CC1 1705643678 OREQQCQALKWXKE-DMONPFRGSA-N 433.553 0.687 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1705674871 SSPJCADMDPVEPS-FXAWDEMLSA-N 436.582 0.699 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C)C1CC1 1705853405 ACPWWAANTLTHBF-CQSZACIVSA-N 439.567 0.974 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722333902 ZVEBXUVEROUOFE-SQNIBIBYSA-N 436.582 0.697 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1722389578 JWGDKGOXYGELOL-QZXCRCNTSA-N 427.596 0.898 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC1CC1 1722393134 SNPYGYHMUPTQFL-UHFFFAOYSA-N 429.488 0.910 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(CCOC)C1 1722400840 AVGXHLKWZXBFPQ-SFHVURJKSA-N 426.521 0.358 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722447667 LOKDBBABTRCOMD-INIZCTEOSA-N 448.593 0.793 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)CC1 1722566212 MPUOJOJAHXNVGV-INIZCTEOSA-N 429.543 0.166 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(C)CN(C)C2=O)CC1 1740705901 NWSJIBZYOFGJMU-VGSWGCGISA-N 428.537 0.964 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740957770 AIBVYDOJTFNBIT-LLVKDONJSA-N 438.414 0.767 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740985762 LBEZJXIABYHFEY-HZPDHXFCSA-N 441.554 0.355 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1748984860 UJIXNUZWNDYGFI-UHFFFAOYSA-N 448.549 0.267 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(O)CCOCC2)C1 1749696996 GRJNLKKHLKAJKC-JKSUJKDBSA-N 443.570 0.601 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)C1 1749712662 KJLDPFQHJOCTOO-CVEARBPZSA-N 425.555 0.734 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749853275 YPKPLACFBDZVOY-CZIZESTLSA-N 436.476 0.535 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CCCC 1760117646 RTIYZYKDULUELP-SJORKVTESA-N 426.587 0.801 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766728459 MVVYIMNAQWLJMX-WBVHZDCISA-N 437.570 0.288 30 10 ICEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)N(C)C)CC3)cc21 1858636932 ZNQQTRQKTKKBLK-HNNXBMFYSA-N 436.534 0.593 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)O)c(C(=O)OCC)c1C 1860761488 VRVJBMWFSKWZCX-ONGXEEELSA-N 442.446 0.465 30 10 ICEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCN)[nH]s1 2110078229 DSHYDPNRXFFQBG-KRWDZBQOSA-N 437.478 0.036 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286032303 CAEGUFUJXQSCTG-QZTJIDSGSA-N 437.518 0.471 30 10 ICEE C=CCn1c(=O)/c(=C/c2ccc3c(c2)OCO3)s/c1=C(/C#N)C(=O)NCCCOC 9540204 XZYAKMMELXXFBY-MAVOLAOLSA-N 427.482 0.480 30 10 ICEE C=CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(OC)c1 29385215 YSWBJXMQJINJAU-UHFFFAOYSA-N 439.534 0.524 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 431358304 LXJNRSTXTHYIFU-PXNSSMCTSA-N 430.553 0.555 30 10 ICEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 435142717 XONAAYAGDWALNB-OAHLLOKOSA-N 428.511 0.288 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460784619 HMNREBJIHHTKAK-INIZCTEOSA-N 446.581 0.939 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474356889 ONXNAGBXHHECSY-QGZVFWFLSA-N 442.541 0.448 30 10 ICEE CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cs1 516374335 ZHMNWYHNJJHQGD-CQSZACIVSA-N 448.570 0.373 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCN1CCOCC1 603923328 YHTMULAMERUDCV-UHFFFAOYSA-N 444.582 0.213 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)CC1 732286823 YHBCVWZSYALJHA-UHFFFAOYSA-N 449.467 0.500 30 10 ICEE Cn1cc(/C=C\C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(=O)n(C)c1=O 748783426 PBNJIEVIVWNALM-FPLPWBNLSA-N 430.468 0.866 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771298487 WKTFORIECAVBGF-VBKZILBWSA-N 433.486 0.111 30 10 ICEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782942549 PODUKDDSZXPTFH-MRXNPFEDSA-N 444.565 0.972 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c1 783075320 PHFUTXDPLHXOAW-QGZVFWFLSA-N 429.502 0.253 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@@H](C)C1 784906952 LMEONGWJSYBUSP-HOEZRSETSA-N 449.533 0.517 30 10 ICEE COc1ccc(N2CCN(CCNC(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 803748759 IBNIUTRNIYNOCZ-UHFFFAOYSA-N 428.537 0.038 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286389498 LBBCUYUNYVJRKR-HNNXBMFYSA-N 429.568 0.112 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286397994 FRYRFRUSGRTXOX-INIZCTEOSA-N 438.454 0.850 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1286824033 UGLYHYXFJHFOMH-UHFFFAOYSA-N 449.533 0.793 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1299027308 WGTHZKWYHBCIEG-DJJJIMSYSA-N 432.506 0.656 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1300763030 MOARXNSLKKSYNE-FRQCXROJSA-N 440.591 0.931 30 10 ICEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1300821743 VSPUULJYTDXIPJ-CZUORRHYSA-N 433.490 0.256 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1314551523 DUABZQNXRLPOFO-MPGHIAIKSA-N 444.533 0.773 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1358974785 RCHTYKSHJYOSGQ-INIZCTEOSA-N 434.456 0.777 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1 1455116431 YRHUTPOVEOLVRH-UHFFFAOYSA-N 433.559 0.938 30 10 ICEE Cc1cc2c(N3CC(NC(=O)[C@@H](C)NS(=O)(=O)c4cccc(C#N)c4)C3)nccn2n1 1457225660 JMZCDDAPUHGNTF-CQSZACIVSA-N 439.501 0.581 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1498516761 BCGYCSWGQVELJB-AWEZNQCLSA-N 428.497 0.596 30 10 ICEE COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1504829528 CPDAXCBWDLUXCN-INIZCTEOSA-N 426.543 0.778 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1505145382 OMFIMLJYEBFYKE-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc2O1 1507616329 JARCDUBKFFZZJZ-QAPCUYQASA-N 447.517 0.520 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1508144114 BFPURRZKCXLACG-KRWDZBQOSA-N 447.517 0.718 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540870815 XROICOZXZSJLFV-RDJZCZTQSA-N 445.524 0.241 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1540908219 RYWNNGSHBMJENU-PMPSAXMXSA-N 441.554 0.305 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)c(Cl)c1 1565223193 KVUQNMLIBIJGRR-HXUWFJFHSA-N 433.896 0.671 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588074189 KTEJZSBRZUYSFF-KRWDZBQOSA-N 437.566 0.890 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)C1 1595674833 VAHZXLCWRJASMJ-OIPACUDHSA-N 429.543 0.210 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606609795 SSZWPCQOUPKEOQ-YWMAMYRUSA-N 428.497 0.217 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1618739448 QDIRNVRIFGXXDE-CZIZESTLSA-N 438.492 0.829 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 1644785047 HGJHMGCOFVMRQG-UHFFFAOYSA-N 444.517 0.364 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1668984092 RVCQYPTYOIJYDG-UHFFFAOYSA-N 441.554 0.762 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690180626 IIRIIFQBWQZPES-HNNXBMFYSA-N 440.595 0.285 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1690715285 HIZPGXJRQBIXJJ-UONOGXRCSA-N 449.599 0.350 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1697022092 CPPDMYQTLUGKKO-ZDUSSCGKSA-N 440.913 0.885 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1705534433 IGHKLDBKBKWXSY-KRWDZBQOSA-N 446.533 0.688 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705570492 QNWRZPBNVSYZQR-SFHVURJKSA-N 445.545 0.432 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722368623 SETZMJFQSVNLSV-GUXCAODWSA-N 435.550 0.625 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722685798 NFEHJMHQOYNDIF-AWEZNQCLSA-N 446.533 0.908 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727650987 NXPZFTJMUZGJMU-VTNSMKTPSA-N 429.481 0.023 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1731009508 WOCDNBRBHMAWIO-WBVHZDCISA-N 444.517 0.488 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1740694122 ZBVAKZJZOYIVDD-VZCXRCSSSA-N 432.488 0.622 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1nncn1C 1740950865 KLVGDKVBLHRSNY-OAHLLOKOSA-N 429.529 0.969 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741108901 KPLQHAGNLOHLAZ-DVSFIDLUSA-N 443.508 0.098 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1741925873 DSQRJCLUWILSBO-VIFPVBQESA-N 445.427 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1748846187 FDJJFNIMVXSEBV-OAHLLOKOSA-N 426.564 0.466 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1 1749136212 KVEYESABMNYNGI-LAUBAEHRSA-N 446.552 0.677 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(C)(=O)=O)CC1 1760255082 BKASFKNZCYCEFQ-UHFFFAOYSA-N 433.494 0.158 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760552512 QKMXPTPPLQLMDQ-CQSZACIVSA-N 427.552 0.508 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1761467479 ZJEMXFSPBARCKX-JLTOFOAXSA-N 445.549 0.875 30 10 ICEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1853567946 XCAYCBUKGYDNAY-IBGZPJMESA-N 441.488 0.563 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC)cc1OC 1865722486 SMRVIJXWMRSHIE-AWEZNQCLSA-N 428.445 0.098 30 10 ICEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227976 UBLPGGZKSOFEOW-UHFFFAOYSA-N 441.536 0.699 30 10 ICEE C=CCN(CC(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2210482192 MQOMNZZOXCJASP-YCPHGPKFSA-N 429.514 0.867 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)CC1 512152344 BUIJWPGAKFUUAH-ZIAGYGMSSA-N 437.570 0.693 30 10 ICEE CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 549033960 JURSIBODWDPZCK-KRWDZBQOSA-N 432.506 0.768 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1=O 730565813 USOYZAAGIABRCM-UHFFFAOYSA-N 435.525 0.833 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)n1 788810460 UMEQJTCWUXFDJW-UHFFFAOYSA-N 437.500 0.830 30 10 ICEE C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1)[C@@H]1CCCO1 809308294 HCRJBFBDBOGJDV-FHWLQOOXSA-N 447.919 0.995 30 10 ICEE C#CC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OCC)cc3)C2=O)C1 1198451988 WTFGOPXVKTWWJR-BOPFTXTBSA-N 429.498 0.918 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1286409728 OQKGOUUNCQBSJQ-OALUTQOASA-N 433.578 0.610 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1286778581 HEJZZAGKVWYAPK-UHFFFAOYSA-N 427.513 0.324 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286786947 MMLVKAFDFUWGNQ-UHFFFAOYSA-N 447.503 0.463 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1301404621 PILDUVAIPBLZPF-HBIPHATFSA-N 443.595 0.701 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1301916929 PJZVCUOSJZAZEJ-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE Cc1ccc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1Br 1309505474 BFSVXDXNWQFLKI-GJZGRUSLSA-N 432.340 0.967 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1358960746 KVMVIGRBDJZZNO-XLIONFOSSA-N 430.534 0.033 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359033859 UBSVMYIAXVZCDD-KRWDZBQOSA-N 437.504 0.697 30 10 ICEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1440911225 BDHBXCWYYNGOGD-UHFFFAOYSA-N 444.469 0.885 30 10 ICEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507781722 HBZQJNRPMFCJCL-NWDGAFQWSA-N 447.359 0.608 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508070767 CNGRPLVHLGGEOT-LSDHHAIUSA-N 429.481 0.468 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1508085322 GYFCCYJLEXPTPG-UHFFFAOYSA-N 437.479 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508141607 NPCVBRVTEZYQOZ-BEFAXECRSA-N 439.538 0.804 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1539452169 MVLFCGCDMQGLLD-JOCHJYFZSA-N 430.503 0.969 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1540869710 UWVJZMBYNFDMEZ-CVEARBPZSA-N 445.568 0.910 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540903802 HARNIAMOORATOW-HXUWFJFHSA-N 430.534 0.724 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@H]2C1 1540907529 ZLACYQGMXJDZTP-KRWDZBQOSA-N 436.582 0.676 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCS(=O)(=O)CC2)C1 1584836830 KHMSKFMLUPYXES-UHFFFAOYSA-N 441.351 0.604 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1587640414 RDZQGFOJPPAACW-MAUKXSAKSA-N 447.565 0.578 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1588751879 ORLTWMHRBRSFDO-NZQKXSOJSA-N 446.596 0.795 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1598075070 MSGCOTQECDXCHV-KDOFPFPSSA-N 426.518 0.784 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)s1 1621959387 YRRNUPSCBKADQD-AWEZNQCLSA-N 429.564 0.851 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1623669538 RVNHSZUVIWSKFD-UYAOXDASSA-N 437.475 0.945 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCN(O)C1=O 1636546851 ZQYPKEGZWRXYGI-KGLIPLIRSA-N 431.898 0.370 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)C1=O 1639573772 VEWOFAWRLIICBM-HNNXBMFYSA-N 431.445 0.738 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 1639973673 IHWIYFQRZVOVQI-NRSPTQNISA-N 433.468 0.769 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 1677461266 URLPAVNIZKISEX-UHFFFAOYSA-N 443.639 0.533 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)CC1 1682598121 PFLGUEFKQDHJRG-KRWDZBQOSA-N 434.497 0.443 30 10 ICEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1687566159 RJEXBXQOIVRZDK-MAUKXSAKSA-N 425.532 0.602 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1689992104 HPCPEUBWRGOITQ-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1690077251 LKUIUGLCBCWPNX-ZACQAIPSSA-N 425.555 0.622 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690122566 VOIDRFASJAIXSU-HXUWFJFHSA-N 449.559 0.929 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1690660213 BPCHZWHZKFFNPU-DZGCQCFKSA-N 438.510 0.361 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(=O)(=O)CC)CC1 1705641539 JMYCEVGJVSLFKF-UHFFFAOYSA-N 437.595 0.328 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1705897713 RSKYLZSQXXMXME-KSSFIOAISA-N 428.559 0.586 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1722692361 JVYREHLFOQNBPS-UHFFFAOYSA-N 443.552 0.798 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1723620110 GLHCHUKUBQWMEG-NVXWUHKLSA-N 428.497 0.546 30 10 ICEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)CC1 1724011989 KACSZLJBEINEHN-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C[C@@H]1CSCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726753547 YPRNBFFUFQKEJS-OHTQGHCMSA-N 445.549 0.982 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729740303 FVIJFIOXKJHAGB-IXDOHACOSA-N 443.533 0.522 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747434448 FSABRUZURXUNTE-QGZVFWFLSA-N 447.569 0.185 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1748651467 MWJLMVDEXIPKOF-CQSZACIVSA-N 428.522 0.830 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1748790918 ONLQWJHJTPVYRA-KSSFIOAISA-N 439.563 0.650 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1749067749 WDWCKTIFXYRCIP-GHTZIAJQSA-N 448.593 0.336 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1760194300 FSJADCQGRLURKL-GUNSETOZSA-N 447.586 0.888 30 10 ICEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)[C@H]1CCN(C)C1=O 1849008767 RRZHWWZGZHRKBL-OLZOCXBDSA-N 426.461 0.340 30 10 ICEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 1867645977 HBTLKXMOYHPOBD-QGZVFWFLSA-N 434.408 0.787 30 10 ICEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(CCOC)CCOC 1870541748 HSIWYSIJUFFQBN-LJQANCHMSA-N 437.537 0.803 30 10 ICEE CN(CC#CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 1890742291 CVOYNWGKSDESKO-UHFFFAOYSA-N 440.525 0.651 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169378 XYIWDRSIHYEIOU-LSDHHAIUSA-N 448.329 0.876 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2267594289 QORHMHBJMRLXMT-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE C#CCCN1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286045629 RJDTZFVWAAJGAP-GOSISDBHSA-N 437.518 0.773 30 10 ICEE Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471576724 DXONYTFQFJZPIE-OAQYLSRUSA-N 444.513 0.313 30 10 ICEE COc1cc2ncn(CCCC(=O)N3CCN(C(=O)CC#N)CC3)c(=O)c2cc1OC 503631505 YLLYTTSEBOFSFV-UHFFFAOYSA-N 427.461 0.778 30 10 ICEE CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(=O)n(C)c1=O 546214931 XYJOKNFKFVKREG-UHFFFAOYSA-N 425.493 0.057 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 603800394 XAWFDFHPGCQQDJ-QGZVFWFLSA-N 427.526 0.663 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 603989498 AJGVSGAXKITWBQ-OAHLLOKOSA-N 439.493 0.623 30 10 ICEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ncccc2C#N)CC1 619510211 CWXJRPFGFKAQQT-INIZCTEOSA-N 442.545 0.470 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 619852799 CDZKTJWYCUASGJ-GPMSIDNRSA-N 438.554 0.920 30 10 ICEE CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 727008925 YICVOJCEXHCYJG-QGZVFWFLSA-N 435.502 0.503 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 732152907 HCIIGIZPZVNBFC-XROMVWTOSA-N 426.429 0.453 30 10 ICEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 732795761 WVUCAKWYXPTFRO-KRWDZBQOSA-N 441.557 0.992 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 749160813 BXMHZVJJCBLXRZ-UHFFFAOYSA-N 444.351 0.913 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCN(O)C1=O)n2C 816694734 MLVMNWMKMPJOFW-AWEZNQCLSA-N 437.522 0.643 30 10 ICEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1155689220 BMFZNIUPYHNSGX-IBGZPJMESA-N 446.479 0.820 30 10 ICEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1179651206 KCKOQNVDHDLHOZ-IFXJQAMLSA-N 427.523 0.799 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(N)=O)c1 1286272540 CMXDZOSPYKTPFC-KGLIPLIRSA-N 434.522 0.259 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1286409734 OQKGOUUNCQBSJQ-RTBURBONSA-N 433.578 0.610 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286489876 GWEYJGJRIQXDFH-QVKFZJNVSA-N 425.493 0.241 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1286509499 RNQHSARKAYYXGP-HRCADAONSA-N 425.580 0.966 30 10 ICEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)N(C)C 1287431757 AWVPRCOKRYEZHB-UHFFFAOYSA-N 433.538 0.903 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1288724885 FMWUVSKYRVIEKB-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE CCc1nnc(N2CCN(CCOC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293139086 YUXKKKVKQBGGRR-VXPUYCOJSA-N 431.541 0.914 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1300307914 KEGIWFVGXOMIMK-FUHWJXTLSA-N 444.561 0.918 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1300700273 NSIAEIQUKYTHDL-QZTJIDSGSA-N 436.582 0.351 30 10 ICEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301173844 KBKKMBHIEZPKFT-GJZGRUSLSA-N 448.615 0.715 30 10 ICEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1302982031 DMFQWGJXWQCQPY-RDJZCZTQSA-N 428.518 0.953 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1359327152 UBFQGSYPKPHWPG-CYBMUJFWSA-N 435.572 0.104 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc[nH]n1 1444059052 XZYDOLXNISMHHI-KRWDZBQOSA-N 443.460 0.619 30 10 ICEE CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1ccc(C#N)c(Br)c1 1475677536 FGBSEBRBFCQYLN-UHFFFAOYSA-N 425.268 0.476 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1507631665 FUWLVQDCJMZWCI-NVXWUHKLSA-N 440.591 0.997 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507738078 JIOZASSPAVGKHD-HZPDHXFCSA-N 441.536 0.110 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508078554 DIELGQWPSSQOBV-AWEZNQCLSA-N 442.476 0.905 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1510224306 PCQKKDLSUCARHG-UGSOOPFHSA-N 436.494 0.397 30 10 ICEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538761128 RANPKUQVZQGKCQ-KBXCAEBGSA-N 440.547 0.210 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539201072 VIPHYCWXOMBMDO-CQSZACIVSA-N 445.492 0.423 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1539220816 LYXXMMQTSSDALP-HOTGVXAUSA-N 437.566 0.571 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1539435832 CKUIBNHBQGSFBF-UHFFFAOYSA-N 448.549 0.267 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1540189496 VJFBIIJKJGESGZ-UHFFFAOYSA-N 426.543 0.188 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540870357 LKMIHYSAOLTRKW-QGZVFWFLSA-N 433.557 0.121 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1 1540871326 JDQPHSCQBJSWDB-MRXNPFEDSA-N 433.534 0.998 30 10 ICEE CN(CCN1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554302399 HSLQWINNNQVUAS-FMQUCBEESA-N 429.525 0.525 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1555721782 PDAVDUUTEQPVHZ-QZTJIDSGSA-N 429.477 0.840 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)s1 1568813241 MWIJRXHILMTZDX-AWEZNQCLSA-N 438.575 0.926 30 10 ICEE CNC(=O)NC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1584822263 BTQGOALAORQWJO-FMPZLKCCSA-N 435.525 0.930 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1588613000 PPXARSYFLPHOAH-GOSISDBHSA-N 449.519 0.922 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588752000 PIQJYWGIPKTTAH-QZTJIDSGSA-N 439.582 0.582 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595544986 PDKFEJSGZKKFPD-MRXNPFEDSA-N 428.497 0.409 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1595971569 RUUITIMCLAOVJT-QWHCGFSZSA-N 437.946 0.832 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1617623447 QYIUNCXIEKPSQG-UHFFFAOYSA-N 441.536 0.426 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1618466580 AYAGVXUNBNZLQR-QFIPXVFZSA-N 439.520 0.354 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)s1 1625923658 MNFQRXZWZHTDEZ-UHFFFAOYSA-N 449.558 0.598 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)CC1 1628146561 LFFMKQSSYAJLAA-UHFFFAOYSA-N 432.525 0.342 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 1631254053 IWMYXGJMPLXOLG-ZIAGYGMSSA-N 444.506 0.931 30 10 ICEE CN1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2Br)CC1 1633119784 ZASMTHKXPWPBHV-UHFFFAOYSA-N 447.293 0.974 30 10 ICEE N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1641190162 GOUMTOFMVVACGH-UHFFFAOYSA-N 444.469 0.024 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)CC1 1643372485 NQCQYULUZIWPAY-UHFFFAOYSA-N 436.490 0.419 30 10 ICEE C#CCN(c1nnc(C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1689980349 QCULMWCLNCUZRH-WMZOPIPTSA-N 433.509 0.697 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1690670037 WWIGODMJXUZEEJ-HNNXBMFYSA-N 428.472 0.392 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nnc(C)s1 1705551289 KUVAPBBFYPGJDS-AWEZNQCLSA-N 439.567 0.473 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC(O)CC2)CC1 1705648343 ROKRZSBFCYUGMU-LJQANCHMSA-N 444.580 0.595 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705768903 CQMAKSGIMPKHMR-IAGOWNOFSA-N 437.566 0.832 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1722641083 WQJQTUGGMYYWJO-QGZVFWFLSA-N 426.587 0.965 30 10 ICEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1724744004 FKHCHDNDFXUGAS-ZWKOTPCHSA-N 446.533 0.697 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1740609964 QVNJODFPGUYTDJ-QZTJIDSGSA-N 438.598 0.801 30 10 ICEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1740724265 ZQVLYEYJTHSPST-AWEZNQCLSA-N 425.540 0.455 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1748293342 HLXRQAKOQMHRQD-DLBZAZTESA-N 443.533 0.423 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)CC1 1748990496 XVLQDNWUESGBRU-KRWDZBQOSA-N 436.582 0.556 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1749680784 QXPPLDNLSRALJR-UHFFFAOYSA-N 427.509 0.929 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1760514402 DQWMGIFFNSSQEX-QGZVFWFLSA-N 433.557 0.363 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760727953 NWKFPLWKCSTFNE-JFVSRZABSA-N 436.538 0.725 30 10 ICEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760760728 CZFUTTNSUJANQY-KRWDZBQOSA-N 439.520 0.859 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C[C@H]1O 1767920018 JUGGXDCWLGPJIP-XCLQVSSVSA-N 441.488 0.717 30 10 ICEE CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771356890 AEOFMJSMPWHZLG-UHFFFAOYSA-N 439.501 0.843 30 10 ICEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256620921 OJSHCDJQJVLTDA-UHFFFAOYSA-N 434.302 0.960 30 10 ICEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(=O)O 2284416077 TZYFXQHJVHKYQM-XVKPBYJWSA-N 425.721 0.813 30 10 ICEE C#CCCN1CCC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286033573 VBPZYMZBANLPGA-ROUUACIJSA-N 437.518 0.773 30 10 ICEE C=CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 27559517 VZXUJUGBRAAVNV-UHFFFAOYSA-N 448.593 0.726 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccnc3ccccc13)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 254833919 MXYYYAAHYYMFPZ-FJXLLPKBSA-N 436.432 0.014 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c1 409575190 KLJMNCCYBHDOCJ-LLVKDONJSA-N 438.491 0.092 30 10 ICEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCOc3ccc(C#N)cc3)CC2)cn1 465968495 WBHCZJHNEUFCTK-UHFFFAOYSA-N 432.506 0.823 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 494554179 UIQWKCICJRGIIP-UHFFFAOYSA-N 431.499 0.367 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 508938562 KUJMVZAJXFMDCL-CYJAXWMASA-N 441.554 0.570 30 10 ICEE Cn1cc(I)c(=O)n(CCS(=O)(=O)c2cccc(C#N)c2)c1=O 535887341 HIOZJICAEYTIGH-UHFFFAOYSA-N 445.238 0.497 30 10 ICEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)c1C 611188637 BISAVUOLXAVFBW-UHFFFAOYSA-N 444.517 0.841 30 10 ICEE C#CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 733202876 XJWSBOONCWUHDK-XOMICKMZSA-N 434.543 0.826 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 788837563 XWPMZWQHVANIMW-UHFFFAOYSA-N 426.498 0.694 30 10 ICEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178756572 AGAVTXRWLDSFHQ-KSSFIOAISA-N 425.532 0.032 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1286341201 CIYXACUMGWIFCE-MRXNPFEDSA-N 435.554 0.920 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300734110 RACMESKTLYQATF-CQSZACIVSA-N 434.547 0.915 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301478835 PFQUJULATPHMFF-VXGBXAGGSA-N 438.476 0.969 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1301500150 JOUSVNVDBYNBAV-MRXNPFEDSA-N 437.566 0.879 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2CCOC2)C1 1302481109 XAIQJBLLWKLYAF-RVKKMQEKSA-N 442.517 0.480 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358963595 KSEMDOLDVRQPKK-IKGGRYGDSA-N 449.577 0.714 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359299849 OHPIPYHOXMNBOZ-JKSUJKDBSA-N 444.540 0.114 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1 1465259375 VGOPUPTUGMJSDN-IYBDPMFKSA-N 439.490 0.919 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 1507953918 JMKVMYFENUUJCD-IRXDYDNUSA-N 440.570 0.098 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508079699 CVRVBBDFGVDFRF-GFCCVEGCSA-N 440.430 0.486 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508093646 JEPVZERNVLDZEM-WMZOPIPTSA-N 433.557 0.106 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508159721 PJKWLSDKMMXUFV-INIZCTEOSA-N 449.581 0.723 30 10 ICEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1539409283 VKGNKQXARQCTRF-UHFFFAOYSA-N 447.565 0.803 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1540871662 QJCXJYHGWGZYDV-HZPDHXFCSA-N 425.555 0.734 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595530221 XFUORWOSFJJJMZ-MRXNPFEDSA-N 434.508 0.933 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1595569608 KGLXGODTVOOWFW-UHFFFAOYSA-N 430.431 0.596 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595570041 VFUNPUWPMDOTAB-INIZCTEOSA-N 442.524 0.853 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1596831105 IEMPLWFJQGQLDI-INMHGKMJSA-N 439.586 0.690 30 10 ICEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1666945739 BRSZDWNSDZEQQI-UHFFFAOYSA-N 426.495 0.783 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1690103883 IMAZSUYTNYAXBF-KRWDZBQOSA-N 437.566 0.887 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690659427 SHWXCJZIDFLTNL-HXUWFJFHSA-N 426.481 0.190 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1691003195 DODUWERSFAZGMP-HUUCEWRRSA-N 426.543 0.512 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705652508 BURYSGUEFUXQOX-QGZVFWFLSA-N 446.577 0.708 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1711049437 GZTAHFKMWXNTLA-UHFFFAOYSA-N 440.504 0.653 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722359180 QXWDOXXURIKZSZ-ZDUSSCGKSA-N 437.551 0.251 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1722366743 KHDCFUPMWFJGHG-HZPDHXFCSA-N 428.580 0.997 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722532866 YWRUNKKNSKINRW-AWEZNQCLSA-N 431.497 0.343 30 10 ICEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723708059 QIZCFUGECDPKIQ-WBVHZDCISA-N 439.586 0.880 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@]3(O)CCN(C)C3)CC2)c1C#N 1725867387 GZRGSJVDQVEIJG-QFIPXVFZSA-N 441.584 0.783 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740788815 XUUTVJAKQNKWTB-KBXCAEBGSA-N 442.542 0.512 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740951089 BXPCFKUXGQRVDA-OAHLLOKOSA-N 426.481 0.333 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1748791518 USEXVIUSLQUEGC-JKSUJKDBSA-N 433.538 0.140 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1748860183 XMDALLDVUZNUGL-MOPGFXCFSA-N 448.593 0.416 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC[C@H]2CO)CC1 1748987383 WFEJFGZRCNDSFL-FQEVSTJZSA-N 426.569 0.671 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 1748990462 XGTMWEIMIZAVRQ-KRWDZBQOSA-N 443.577 0.445 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749677806 LHAVGQPBISRRCL-KRWDZBQOSA-N 428.493 0.419 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749729161 CLTFFPQVAVHHGK-AWEZNQCLSA-N 427.552 0.810 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760099524 IABXIZXGOYFEMS-GCJKJVERSA-N 432.569 0.941 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1760212509 WMKOAZNWPRWESW-OAQYLSRUSA-N 449.577 0.817 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCN(C(C)C)CC2)CC1 1760257393 VPCMJAAYOXAAHV-HXUWFJFHSA-N 448.612 0.993 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1760321981 MNFKVZREVKUOIP-VQHPVUNQSA-N 439.582 0.980 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760555244 AOYDDMJBJKVPQA-ROUUACIJSA-N 439.582 0.541 30 10 ICEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870349971 KXLPLNSCQKTVTD-UHFFFAOYSA-N 439.560 0.970 30 10 ICEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267269094 BXFSUGFELYISEJ-WDEREUQCSA-N 445.251 0.786 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267271285 QYEYXIKQQJBWPL-KGLIPLIRSA-N 448.329 0.876 30 10 ICEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508952478 QMUTXGKZPMOJGH-UHFFFAOYSA-N 448.535 0.752 30 10 ICEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 774162439 KVURJASKGGOWFA-IBGZPJMESA-N 432.546 0.406 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCn2cnc(C#N)n2)C1=O 795183182 NGSBPWQPMUHGAA-AWEZNQCLSA-N 446.562 0.911 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 804161451 QNFMCXXQGNIUBQ-UHFFFAOYSA-N 436.387 0.744 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)cc1 1155287959 RCLLBGAVJNZPNY-LFUKPOHLSA-N 428.514 0.986 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1165508655 SHGQXCRYGUEGRE-BRWVUGGUSA-N 440.562 0.900 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1175515347 YFCHOABKJCSIJN-BEFAXECRSA-N 426.539 0.245 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1221717926 WDDOWSBKRSJFJZ-UHFFFAOYSA-N 430.509 0.502 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2nccn2C)CC1 1252585229 OMJRYJQKMAXXMO-GOSISDBHSA-N 430.534 0.499 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1300509625 QTFPNKAEOPXMLL-KRWDZBQOSA-N 442.545 0.620 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1301510126 UEKJTZSNYVSLKN-UHFFFAOYSA-N 445.549 0.664 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CC1 1308057502 QCZQOHGBFWRPMW-CMKODMSKSA-N 434.537 0.901 30 10 ICEE COC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315125251 NDDNNJARYAAYNU-VLGSPTGOSA-N 429.481 0.960 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)CC1 1359039100 WYGPEGAOCNDOKN-JOCHJYFZSA-N 427.505 0.772 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359299543 HRZKGDVCFSMYLO-DOTOQJQBSA-N 431.541 0.221 30 10 ICEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1463001211 ZEDPOAVOULSPEL-DCPHZVHLSA-N 432.477 0.751 30 10 ICEE CC[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1495516436 LVXGHTNQHLTRMR-HJUNTIBCSA-N 436.538 0.941 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507560346 GTDTUFNWSDYZMP-SJLPKXTDSA-N 427.553 0.822 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508077640 PFMQYFYBZPDYAT-NRFANRHFSA-N 441.492 0.963 30 10 ICEE CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516497529 UKSFXNGEYZEZDU-GFQZXTHMSA-N 429.481 0.056 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1539072350 PTXDCAYLNBLQDL-HZPDHXFCSA-N 439.538 0.414 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[S@](=O)CC)CC1 1539460124 XAIWFFFPTYLGIW-GDLZYMKVSA-N 434.591 0.793 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1540901450 DRMZDHVQVGFBPH-GFCCVEGCSA-N 441.945 0.853 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1588806199 JCTFVPSSACMVLE-QPHCHLROSA-N 440.573 0.911 30 10 ICEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC 1649638863 MYDDJXZOJKPZIZ-MSOLQXFVSA-N 437.504 0.779 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 1650846470 YUNLZVQFRRTQPX-OAHLLOKOSA-N 428.308 0.364 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cnnn3-c3ccccc3Br)C2)c(=O)nc1O 1653763301 SGOHWQAGXASGOU-UHFFFAOYSA-N 442.233 0.861 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 1665750438 MPPXECQLWBEZGQ-UHFFFAOYSA-N 446.860 0.528 30 10 ICEE C#CCCN1CCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 1666721730 SQNGIFFHKRDOFU-UHFFFAOYSA-N 428.312 0.830 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689987751 BQVKOUFLAVGOPU-BEFAXECRSA-N 432.506 0.167 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989307 CYGYEGYKIBURMV-DLBZAZTESA-N 437.566 0.714 30 10 ICEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690352666 KWFDTQSKKHVQMS-CQSZACIVSA-N 434.859 0.896 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1692799105 FQEQJHDXLOCPSN-RRFJBIMHSA-N 434.526 0.076 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1697922656 HMRZEQZVCOKHQX-DENIHFKCSA-N 442.520 0.946 30 10 ICEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698493277 PMRQPUHVLSRPAY-ZFWWWQNUSA-N 443.439 0.713 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705561803 WNCPVEWDTMMPGB-KBPBESRZSA-N 429.568 0.315 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1711407250 VWQWKCPTBSKCHT-OAQYLSRUSA-N 439.476 0.896 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N(CC)CC)CC1 1722431984 RJUPEABXPBKEPB-DLBZAZTESA-N 425.603 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CC1 1722438602 ZXYWMPZAGPNJKS-GOSISDBHSA-N 446.533 0.095 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1 1740610657 HYHIPLNVIXMIQT-AWEZNQCLSA-N 440.551 0.332 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740992374 GIWVFVRKRVVWJY-HXUWFJFHSA-N 432.550 0.827 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1748129695 UHCBXBJRBRSEQZ-FCWMDHMBSA-N 431.497 0.474 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cc(CO)nn2)CC1 1749329102 GAEOGZXYPDTOMU-CQSZACIVSA-N 438.558 0.465 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CCO1 1750388418 OTEJHQWQPJUVRF-IXDOHACOSA-N 439.538 0.352 30 10 ICEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNS(C)(=O)=O)CC1 1760260931 IEPNKMYVWSTRRL-UHFFFAOYSA-N 432.550 0.204 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760269302 DXCFLCSNKXVSKR-OAQYLSRUSA-N 449.577 0.451 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760440062 BCKJQLDPBVVMHM-PMPSAXMXSA-N 438.554 0.292 30 10 ICEE CCOC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1765935404 AUDOSDGVZZDQHZ-LSDHHAIUSA-N 426.543 0.966 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)CC1=O 1855740008 LLQRBRFZRYTGKB-DLBZAZTESA-N 437.562 0.439 30 10 ICEE Cn1nc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255611237 RZMLFTDLNIJGQS-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267265193 BPQRFVNZFKJSNY-UHFFFAOYSA-N 448.329 0.735 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2267609392 PFNCYKUNENLXOR-CQSZACIVSA-N 448.329 0.830 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 460808903 KIRNEHMDMJWRPM-GJZGRUSLSA-N 449.599 0.447 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)CC1 504602890 BLYBWWJYTHNSND-UHFFFAOYSA-N 429.521 0.919 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 590914114 DACBYETZMRKAAN-GOEBONIOSA-N 428.514 0.138 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 604000433 ZKKYGTNCZFQAGJ-UHFFFAOYSA-N 432.461 0.726 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)n1 612819945 NWHSNDZJBLWSBH-UHFFFAOYSA-N 431.474 0.530 30 10 ICEE C#CCN(C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774027078 XILSOKIELJPXPN-GOSISDBHSA-N 434.518 0.612 30 10 ICEE C#CCN(C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774182234 XWFOHVHGULYIKG-SFHVURJKSA-N 433.530 0.718 30 10 ICEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1134429138 PGQAPWHPELRAPB-JNAXZKDPSA-N 430.486 0.581 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1286381261 FTKPXYDVELEIMW-QZTJIDSGSA-N 438.513 0.722 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1286397613 NZDMOQFVVUOYIS-MRXNPFEDSA-N 438.517 0.590 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1299094701 DRJAPTKZFTWSEE-MRXNPFEDSA-N 425.493 0.779 30 10 ICEE O=C1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1316572336 MKUMZBKLRJWNPK-VXPUYCOJSA-N 427.509 0.864 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359132854 GWUYOESKPCQXFC-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359301924 PWPRLRHWZNPXKQ-UHFFFAOYSA-N 432.550 0.795 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1360339964 YIJFENYQCDRKRK-ROUUACIJSA-N 444.533 0.652 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)C1=O 1471863840 XJVAWIGHVNOVRD-SNVBAGLBSA-N 428.371 0.338 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)CC1 1473728760 HLNYDEHYXSBDSG-MOPGFXCFSA-N 429.565 0.945 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)CC1 1507720379 ULJCCDKNSUHXAB-DFXYEROKSA-N 435.594 0.985 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1508092905 RVXKCCMQTWPQLY-SFHVURJKSA-N 439.524 0.544 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516831728 AXQFCIXGZLYTAM-KRWDZBQOSA-N 444.565 0.846 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539436229 NUOSTZMCWNEZTL-HNNXBMFYSA-N 442.911 0.737 30 10 ICEE CN1CC[C@@H](N2CCC(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1=O 1556527151 QOOTUWSUXANZJV-QGZVFWFLSA-N 447.561 0.317 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3CNC(=O)C3)nnc12 1559031271 YTWCLLGWQFFRTD-ZDUSSCGKSA-N 426.502 0.965 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)CC1 1588750378 CSSOOLDQVGDNPQ-DENIHFKCSA-N 433.553 0.879 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1595607261 CKUVGAZLHYMGIS-WMZOPIPTSA-N 446.552 0.753 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595798486 PSALEIDOQXVHHZ-GJZGRUSLSA-N 425.511 0.761 30 10 ICEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1616914535 YCCXZOMTTMGNGQ-ZWKOTPCHSA-N 427.509 0.948 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1619737877 VNTLAEVJPJCBEH-YJBOKZPZSA-N 448.549 0.996 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1620352247 NWBIAEQXESSDMM-FUHWJXTLSA-N 426.477 0.846 30 10 ICEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1640793909 GTHFQKLSVCDLPB-SJORKVTESA-N 435.546 0.961 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1 1643327905 NLGQMYVFPGJKSV-UHFFFAOYSA-N 437.474 0.969 30 10 ICEE C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCN(C(=O)CC#N)CC1 1645713381 JVJPJOFWRWWWIS-CYBMUJFWSA-N 441.941 0.975 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1648028733 LXEFCMGGTJYUDS-CQSZACIVSA-N 449.514 0.427 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCCOC)c(OC)c2)CC1 1661660177 HGIMMMUIWAXBJG-UHFFFAOYSA-N 440.522 0.728 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689988007 HKMQBJFLOCRLKN-QWHCGFSZSA-N 442.339 0.765 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988024 HODHLKRQBZMRMB-IKGGRYGDSA-N 436.582 0.586 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1690660211 BOQLEAVRZOLAQH-HNNXBMFYSA-N 432.550 0.796 30 10 ICEE CNC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711413283 WZORJECMADDJKL-ISLYRVAYSA-N 428.497 0.218 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1722360806 JVZMNBWTSGICOZ-OAHLLOKOSA-N 445.549 0.524 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1722738407 ITGLAQPVZOXGNS-LSDHHAIUSA-N 431.584 0.755 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740615614 HVXYITNQLAXAIO-SJORKVTESA-N 435.550 0.567 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(OC)c2)CC1 1740689997 FQVQVFGJKPTGFE-KRWDZBQOSA-N 446.577 0.895 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC[C@@H]1NC(=O)NC1=O 1748961257 ZFFKVEQIPDPUOT-AWEZNQCLSA-N 443.464 0.080 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749668616 AYYHHMMZEJDXFJ-GOEBONIOSA-N 433.538 0.557 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749670095 OMKLWVYMYBVNGL-QGZVFWFLSA-N 431.541 0.223 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1749741012 MYRBQGYMZZKLQB-IRXDYDNUSA-N 441.554 0.271 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1749755968 OVNWGORBRVFDKQ-AWEZNQCLSA-N 428.584 0.561 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760510410 WXSBHJDPGCDIJC-HOTGVXAUSA-N 437.526 0.108 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760523970 MEKMZWOZNJGEFH-IRXDYDNUSA-N 432.525 0.302 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCC(O)CC1 1761462966 CNRXIICXUXIHIJ-GJZGRUSLSA-N 427.575 0.473 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCn2ccnc21 1761500570 BBFACJLBLMPYEU-KKUMJFAQSA-N 434.526 0.391 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCn2ccnc21 1761500571 BBFACJLBLMPYEU-RRFJBIMHSA-N 434.526 0.391 30 10 ICEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1768521645 RQEBEIWENWYMHK-UHFFFAOYSA-N 432.550 0.876 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(F)(F)F)cc1 1770741028 SSUFFQQMPSYFCO-CYBMUJFWSA-N 449.393 0.438 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@H]3CCCO3)C(=O)C2)C1 1854355482 ZDDXPQRPDAWWSQ-IAGOWNOFSA-N 432.502 0.171 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(C)cc3)[C@@H](C)C2=O)CC1=O 1857079565 ZVACKJUTDCUMEW-FUHWJXTLSA-N 433.530 0.919 30 10 ICEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933740 OBDAACBDFQOSMR-HNNXBMFYSA-N 438.575 0.976 30 10 ICEE C=CC[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 2210495356 MONBORCJOBSNRB-TUVASFSCSA-N 429.514 0.913 30 10 ICEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247906126 YAMDALKJNODHOF-UHFFFAOYSA-N 444.363 0.865 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2267546935 DFCTYILIEFZZCC-ZDUSSCGKSA-N 446.317 0.699 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2298378012 QUJSMCGWQUKXTB-ZQNQSHIBSA-N 426.319 0.926 30 10 ICEE O=C(O)COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 254478715 MPHNPFRSJBMIFD-KGLIPLIRSA-N 430.479 0.566 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 536693078 HMMLXGQMQHFDHB-UHFFFAOYSA-N 444.351 0.913 30 10 ICEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)OCC 1151573790 LGJCMFZGKMRMHI-HNNXBMFYSA-N 443.909 0.611 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1157221455 HBVPMBJXIAURPV-KSSFIOAISA-N 433.534 0.036 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 1254103631 WQEHRQCNBFPJOC-AZUAARDMSA-N 433.578 0.549 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286356448 PZLDUGQQYJHFKK-QGZVFWFLSA-N 436.582 0.922 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286391876 JOSNWZKQURCDEK-AZUAARDMSA-N 448.637 0.883 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@@H]2C)CC1 1286490873 VROZUZKZJUZLHE-WMZOPIPTSA-N 427.553 0.679 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301490913 IEEYTHCOUYWSJQ-HNNXBMFYSA-N 426.525 0.365 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1316349165 IHWUNPWPFAXLQW-UHFFFAOYSA-N 444.517 0.584 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358958895 XXMLKGNCNKBBEF-QGZVFWFLSA-N 447.542 0.488 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)CC1 1359037375 HDJRVETYOYBGLY-UHFFFAOYSA-N 429.550 0.055 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1360476653 OZOBLAOXBADLAK-OAGGEKHMSA-N 442.542 0.155 30 10 ICEE Cn1ccn2c(CNC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)nnc2c1=O 1479180637 IYGQXBPCMCKLJS-UHFFFAOYSA-N 426.868 0.985 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)CC1 1539452571 VUJUURFRVAJONN-GOSISDBHSA-N 431.518 0.590 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1540072449 LMXOKGMKQBCECK-KRWDZBQOSA-N 448.549 0.641 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588053821 IGEFZHAMCBGYIY-RTBURBONSA-N 449.577 0.667 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@]2(C)CN(C)C2=O)n1 1588722362 AHAFVYOFSJGPDE-QFIPXVFZSA-N 449.519 0.696 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1595722835 NSBXXKNVYOFCDH-BRWVUGGUSA-N 425.555 0.987 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 1597587465 ZMXGNZXGJYEXNC-UHFFFAOYSA-N 442.582 0.330 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1611159735 PHLVZOVXAQBXHC-YJBOKZPZSA-N 425.532 0.727 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616212834 HKPHBXGCTOHLPZ-BKTGTZMESA-N 435.460 0.360 30 10 ICEE C=CCC(F)(F)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1624772024 VUJJFISPIYJTCK-UHFFFAOYSA-N 430.477 0.963 30 10 ICEE C#CCNS(=O)(=O)N1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 1643102361 PBZWELJWVHEXRY-UHFFFAOYSA-N 432.462 0.149 30 10 ICEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1644351692 VUDQPOVXZLHOHU-BZNIZROVSA-N 432.424 0.752 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648872660 GBDXRXFHHRYISI-UHFFFAOYSA-N 436.490 0.642 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 1651540496 RCHSTJLALORGOH-SFHVURJKSA-N 439.394 0.804 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 1660958958 AYINIDIVEMGXDZ-UHFFFAOYSA-N 434.566 0.446 30 10 ICEE COC(=O)C1=NO[C@@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 1680778834 MZVZUWPNUXASGL-KKSFZXQISA-N 425.445 0.763 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC(=O)N2CCc3ccccc32)CC1 1684030136 QNBKMKIDYSZTNN-UHFFFAOYSA-N 433.534 0.151 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1690597579 XVPHMZRBAJHTBX-OAHLLOKOSA-N 436.542 0.449 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690715340 JCOFBRDVCFJTMB-VQIMIIECSA-N 438.598 0.566 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690733491 GCYUHFNFJORMHV-MELADBBJSA-N 428.584 0.522 30 10 ICEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)CC2 1696883510 FERFVLREIAYLPC-UHFFFAOYSA-N 435.488 0.872 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCN(CC)CC2)CC1 1705638557 OFKPHLLMMBSARN-UHFFFAOYSA-N 437.596 0.908 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnnn2C)CC1 1705651317 RTYKTPFGMQRPIJ-UHFFFAOYSA-N 436.524 0.282 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722690528 KGPLIMAVDRKHFA-DZGCQCFKSA-N 436.542 0.266 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740619995 SCQANHPYIIBVIK-CQSZACIVSA-N 441.535 0.022 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)C2CC2)CC1 1740708120 CJRZTMMJKSSZSV-GOSISDBHSA-N 428.537 0.791 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1748980049 XKNWWVNRRZXURT-UHFFFAOYSA-N 431.504 0.746 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749037299 DHQIEORKONEMFQ-HZPDHXFCSA-N 437.591 0.748 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749658309 NDSOQLHOKZAXIN-UHFFFAOYSA-N 439.929 0.377 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1749666093 GXEMPFRIGUNLGM-IBGZPJMESA-N 446.512 0.982 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1760180681 JKDRJDYXMBKACB-MRXNPFEDSA-N 441.517 0.757 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1760193676 LVKAKKPXISPZLB-UHFFFAOYSA-N 428.518 0.379 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCOCC2)CC1 1760251553 CJXJKZJFFJPXAC-GOSISDBHSA-N 431.585 0.672 30 10 ICEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760261357 KKBRYNKMDMECSP-UHFFFAOYSA-N 435.554 0.339 30 10 ICEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)NC 1760454517 MOCLMAAYFNCCAJ-UHFFFAOYSA-N 441.583 0.718 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763458406 MLJNBKXNXJDQIV-OHTQGHCMSA-N 431.497 0.558 30 10 ICEE NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)c1 1772789845 FMTZWJQBCSVMPH-NSHDSACASA-N 429.410 0.441 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)CC1=O 1856904902 SSOYQOVLZJDHRO-NVXWUHKLSA-N 446.485 0.755 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 514420264 YGMLAWZMWVMGIQ-FPOVZHCZSA-N 432.613 0.744 30 10 ICEE CC[C@@H](CO)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 536218406 CEEOMELFCAESNW-IBGZPJMESA-N 434.562 0.874 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 555248538 WTNDOVXBUIPGIN-LSDHHAIUSA-N 426.543 0.279 30 10 ICEE CN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)CC1 585472250 KJNPCJAGWKFLRH-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@H]1CCCO1 609220602 YKJJSSCMMJWOBX-MRXNPFEDSA-N 445.516 0.802 30 10 ICEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1C(=O)NC[C@@H]1C(=O)O 757542747 LRNQKYQWWQJJHQ-GHTZIAJQSA-N 447.447 0.844 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 784600508 GVDATGCKOPVSHV-IAGOWNOFSA-N 446.547 0.888 30 10 ICEE CCN(CCC#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 919012492 UFENMKLEIXUDEE-UHFFFAOYSA-N 425.511 0.733 30 10 ICEE C=CCNC(=O)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919206718 FXQYUCIKXPHBOX-UHFFFAOYSA-N 433.280 0.648 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1300578963 QWIZZTYDJWDSLY-LQWHRVPQSA-N 449.577 0.625 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCOC2)CC1 1300686276 ZFZDYKYWMWVQQZ-IBGZPJMESA-N 449.353 0.953 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1301482796 ZXXNWVHGIXDPQA-PBHICJAKSA-N 446.483 0.811 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1316529950 CMQSTSDBKLFYIQ-OXQOHEQNSA-N 446.508 0.964 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359322933 FCOFTNZXHMXALY-PXNSSMCTSA-N 433.534 0.595 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)c1 1473650546 DQWMOBNHMPWRAT-JOCHJYFZSA-N 446.504 0.904 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1507708758 MIYGXWVIRNVWKT-UHFFFAOYSA-N 437.460 0.913 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836263 CVFXAUVQJXYWAL-JOCHJYFZSA-N 448.568 0.487 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1507964283 ACEUUWUCXDDDBW-HNNXBMFYSA-N 431.584 0.757 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1508421524 BMSIRMPYTMOIOG-OAGGEKHMSA-N 426.543 0.633 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1509709573 IPJNMVIOVFYPAT-SJORKVTESA-N 445.549 0.709 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539206878 WLBFQRANJUHXKT-NVXWUHKLSA-N 436.538 0.411 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539489256 JUPZQKYRHOYQSF-OAHLLOKOSA-N 440.595 0.399 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1588065056 SDQKAESVNUUISK-SFHVURJKSA-N 440.533 0.572 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1611686309 DLKMQRUFLGQFQN-USJZOSNVSA-N 442.517 0.668 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1614079308 GUVWJULGJFKXDB-MSOLQXFVSA-N 426.477 0.859 30 10 ICEE C#CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C(=O)OC 1626187810 JDYLNDAMVFMJTB-GJZGRUSLSA-N 428.894 0.554 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc[nH]n1 1636476084 AYMPZTFIGRACNI-ZWKOTPCHSA-N 443.504 0.693 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCCNC2=O)cc1)c1cc[nH]n1 1647746665 TVFZXEFMOMZMRS-UHFFFAOYSA-N 428.449 0.930 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1647982325 FCKQWYBDBURNEV-UHFFFAOYSA-N 441.517 0.205 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689988580 RXLLGJVYVLPKGH-LPHOPBHVSA-N 434.522 0.111 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)C2CC2)CC1 1690150693 QNJDJMSYVHIUTD-QFIPXVFZSA-N 428.537 0.527 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690464937 NRBGIEBIORZMEH-DLBZAZTESA-N 425.555 0.878 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705567127 UNGMJFGTNFZAMY-ROUUACIJSA-N 442.545 0.802 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1705612420 GSZMUQRSEAJSPY-MRXNPFEDSA-N 442.611 0.119 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC)CC1 1705646117 RQTOTKYHKLTJJA-UHFFFAOYSA-N 438.488 0.776 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705901565 PHWKXBKPXIRKGE-IERDGZPVSA-N 428.468 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1705929976 CFZWPCJFSKXEDW-OLZOCXBDSA-N 437.613 0.431 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1706678109 BULUXBMCNLTCMR-UWJYYQICSA-N 435.525 0.979 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722341257 BLNNAXUFOYFXEY-UHFFFAOYSA-N 427.509 0.838 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722369059 YCBCTVWMPUUFKI-HOTGVXAUSA-N 447.517 0.432 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722621311 YGDIZYZEAJGFHE-UHFFFAOYSA-N 440.570 0.625 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723580208 WZWVHHGYSBULJN-DCOQFNDQSA-N 445.524 0.946 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1740685143 BKAZQARKNKRTGO-KRWDZBQOSA-N 448.505 0.210 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1740794643 FRYPDDQPSKJSKC-INIZCTEOSA-N 425.555 0.735 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1748803439 YQNNSNXWUHVQSI-QGZVFWFLSA-N 445.549 0.346 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)NC 1749073340 LXGILZMDDCHJQR-GOSISDBHSA-N 436.563 0.811 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1772566397 UVIBYEBAVCZYGR-KRWDZBQOSA-N 443.552 0.760 30 10 ICEE COCCN(CC(=O)N1CCN(Cc2ccc(C#N)cc2)C(C)(C)C1=O)S(C)(=O)=O 1857161682 CMTMHMXEBLBSFU-UHFFFAOYSA-N 436.534 0.416 30 10 ICEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(CCO)CC1 1870497836 ZSSHPMSQOOHJSR-UHFFFAOYSA-N 432.565 0.926 30 10 ICEE CC1(C)OB(C2(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)CC2)OC1(C)C 2255649954 AEZOEWUGCJPXQY-QWRGUYRKSA-N 433.236 0.994 30 10 ICEE C=CC[C@H]1COC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310015 JDYXTERSBJQQFM-BBWFWOEESA-N 426.491 0.965 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 15445536 ASCCPYIFTLAHMS-UHFFFAOYSA-N 433.412 0.253 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 460556525 SQJLIRQDRUVJGV-ZDUSSCGKSA-N 434.588 0.230 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)CC1 471208755 WFXULOYWSUJONX-QGZVFWFLSA-N 446.451 0.390 30 10 ICEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 518018840 BTQBKYQAOZNGSE-CQSZACIVSA-N 425.470 0.751 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4cccc(C#N)n4)CC3)nc2)CC1 580502951 NMNNRJLSHOGBBU-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 603798850 PDOHLUYOGNULNH-QGZVFWFLSA-N 425.510 0.903 30 10 ICEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1S(=O)(=O)NC1CC1 741096127 QPCDKJFDUBCBCY-INIZCTEOSA-N 431.518 0.573 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CC(=O)O)cc(OC)c1OC 906823721 RYJXAENKSMNFLM-CYBMUJFWSA-N 431.488 0.142 30 10 ICEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CC(Nc4cccc(C#N)c4)C3)c(CCO)c2=O)n1 1168652489 DEBLWABZKIRLSJ-UHFFFAOYSA-N 433.472 0.915 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c1 1184099577 XVOHWZSAKFASBC-SFHVURJKSA-N 429.502 0.249 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCOCC1 1286726893 KIMNMCYAEJRFCT-QGZVFWFLSA-N 442.586 0.346 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300495696 JOKXRQDUXMKCHB-GJZGRUSLSA-N 436.563 0.811 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301223510 WZXPYBBOBOIKCU-HNNXBMFYSA-N 431.584 0.618 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(=O)(=O)CC1CC1 1306192696 CNKKPDQZHNZJOD-UHFFFAOYSA-N 446.581 0.906 30 10 ICEE COC(=O)[C@](C)(Cn1cccn1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1308144841 DBSWFOAXPVRVDU-UGKGYDQZSA-N 442.495 0.953 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CC1 1315054632 IEAOYIWIULHNAQ-UHFFFAOYSA-N 426.525 0.856 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1358948543 FEACOQXWBSROFK-PXNSSMCTSA-N 433.534 0.588 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359009933 BZAOJXXHFMULFY-OHTQGHCMSA-N 432.506 0.166 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359187283 IAGKIUGUHNMDSZ-HNNXBMFYSA-N 442.528 0.167 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1507981051 ILBRPDQQHMKUJD-JKSUJKDBSA-N 435.554 0.692 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1508005036 SMVNSPJNRKCBPW-INIZCTEOSA-N 428.522 0.945 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508078506 YGVGDXBIAGWMRY-CQSZACIVSA-N 427.465 0.621 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508080897 FRZAJIHZQJBXKZ-MRXNPFEDSA-N 449.581 0.694 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1539615797 MBSKJLVPWSQEKY-WCVJEAGWSA-N 441.554 0.869 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1540200673 GXUULHMDERLHJQ-DLBZAZTESA-N 427.571 0.540 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588024388 AWWNEJAATMGLPS-JXFKEZNVSA-N 435.550 0.302 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053399 DXWIPPYXKGXJSH-IRXDYDNUSA-N 434.566 0.342 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588849025 VQAVCGKQTIZVFE-UHFFFAOYSA-N 445.527 0.932 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1595522311 BPTGUWDYMATMIF-IRXDYDNUSA-N 443.552 0.953 30 10 ICEE CS(=O)(=O)CCN1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1616317648 ZTMKCNFYTFBWSW-UHFFFAOYSA-N 431.511 0.362 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)CC1 1625410319 PEMQIPVWKWFQGJ-UHFFFAOYSA-N 445.448 0.047 30 10 ICEE C#CC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1659571228 NUFNGVQYNXNCOG-UHFFFAOYSA-N 441.937 0.760 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](OC)C(C)(C)C)CC1 1690111606 GDHDQSDJSRUSSC-CVEARBPZSA-N 426.587 0.705 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690484777 DEBHFNUQJHGTSW-GJZGRUSLSA-N 426.543 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705932425 UDGZAJOFEDWXKC-INIZCTEOSA-N 431.522 0.976 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712701325 ITBDNHWJHYYBME-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)CC1 1722431942 QOQSJOPSOMKVGR-IRXDYDNUSA-N 444.561 0.820 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722705320 CVIIIFOQAFNOLN-HNNXBMFYSA-N 449.533 0.791 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCNS(C)(=O)=O)CC1 1740699675 PDWLYKQQUAURDD-UHFFFAOYSA-N 446.577 0.860 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740993277 VXIKVGGRSBRBQE-MRXNPFEDSA-N 431.522 0.079 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCN(C)C1 1760205429 AZRDLULMUNGFKN-QHCPKHFHSA-N 434.548 0.592 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1761502786 SBBXYLOHNZHXKF-ARFHVFGLSA-N 442.542 0.203 30 10 ICEE COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1771132319 LVVDDFPMNUWTGE-CQSZACIVSA-N 437.526 0.170 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1771189661 XBHYIHVIBCBRRQ-IIDMSEBBSA-N 444.533 0.868 30 10 ICEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1855724776 KEEWVGGRBKYYBC-INIZCTEOSA-N 434.518 0.542 30 10 ICEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCO)[nH]s1 2110082540 NASUKCHIVYCGBI-QGZVFWFLSA-N 438.462 0.070 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255815145 JIQDKUMBJFNBCZ-KGLIPLIRSA-N 436.318 0.429 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2317675209 LRPGTXPTAQZHND-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 96090027 KKLNILXVEANYEE-HXUWFJFHSA-N 431.518 0.680 30 10 ICEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@@H](O)[C@@]3(O)[C@@H](C)O1 257519164 QBQXQYSJPWXZJL-TTYDCFMISA-N 444.392 0.288 30 10 ICEE biogenic CCO[C@H]1C[C@](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 444749295 VCEBRUKPLKWOHW-KKSFZXQISA-N 433.509 0.840 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CCN(C)CC1 537395782 CUPAPTIUPKJAOC-UHFFFAOYSA-N 427.530 0.138 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cc2C1=O 649320121 DAXRVOMVQNSGPM-UHFFFAOYSA-N 426.473 0.085 30 10 ICEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O 725768082 HUGPVSMISCXYRR-VGSWGCGISA-N 425.489 0.854 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772900619 MBKADOXOPUXQTD-UHFFFAOYSA-N 432.571 0.993 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 918610730 RATLNZJGYWEXRJ-SLRQDYMLSA-N 445.501 0.549 30 10 ICEE C#CC[C@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1227726043 DHBSLEQWZZPPSV-MRXNPFEDSA-N 439.534 0.788 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCN(C)C1 1286286136 UHGRCIKKERRGQP-FOIQADDNSA-N 431.566 0.763 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286789843 IEYIALMGAYQWOI-GOSISDBHSA-N 442.520 0.325 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793302 CKFMRIUFQQROPK-HRAATJIYSA-N 432.525 0.432 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC=C)C1 1286808419 BSAKCLJLCYJXCG-CVEARBPZSA-N 444.579 0.562 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1298971534 AHJNBJWITDEKKL-ARFHVFGLSA-N 434.518 0.400 30 10 ICEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1299261320 YMKFBTSNDLDYCW-UHFFFAOYSA-N 448.535 0.869 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1299740600 DIKPMUGDUFWKDZ-MRCUWXFGSA-N 446.529 0.450 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCOCC2)CC1 1300719927 VZSKSOAVAQMIIX-UHFFFAOYSA-N 439.520 0.488 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(CC)S(C)(=O)=O 1358943559 MEUCEPYMQJIBKO-UHFFFAOYSA-N 443.537 0.662 30 10 ICEE C=CCNC(=O)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1359305513 FKATZKNSMRGYTE-OAQYLSRUSA-N 436.557 0.972 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1503280125 IBKVDERLRKTHGP-CALCHBBNSA-N 434.522 0.606 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1507702708 NCYTZUGUHJTLRG-QGZVFWFLSA-N 428.541 0.905 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)CC1 1507736149 FXKJBEOYTLTRMB-UHFFFAOYSA-N 445.549 0.245 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1508280436 VELGGOOCWISQKC-HNNXBMFYSA-N 442.524 0.766 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC=C)c1 1539037586 HKKPDPQLXPNUBV-UHFFFAOYSA-N 449.515 0.873 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CCNC2=O)cc1 1557963160 AUQWXTKKTFMCRV-UHFFFAOYSA-N 441.513 0.957 30 10 ICEE CN(C)S(=O)(=O)C1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1584442751 VYANSHSCLCIADU-HNNXBMFYSA-N 433.490 0.303 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1588645813 CJCXMOKVVAEQAJ-HNNXBMFYSA-N 444.579 0.234 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1594962159 JAVIERDRVUWHGS-MRXNPFEDSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595497289 WRYOCIUVGRUCLE-OAHLLOKOSA-N 426.437 0.369 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1609509117 MRYMAJRZRZIPCY-DCOQFNDQSA-N 445.524 0.946 30 10 ICEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1619782769 IDXZRMAYTWCZFY-LSDHHAIUSA-N 426.543 0.824 30 10 ICEE CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Cn1cc(C#N)c(O)nc1=O 1621862230 CZUZMDSEPGWVBR-LBPRGKRZSA-N 426.351 0.738 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2cccnc2)c1 1648715967 NWFJORLNURDJIB-QZTJIDSGSA-N 431.470 0.388 30 10 ICEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1681285353 FTTGRKKXKJVOCS-MSOLQXFVSA-N 434.518 0.931 30 10 ICEE Cc1ccc(CN2CCO[C@@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)C2)cc1 1684655069 WSLXNOJAVSGKFJ-SFHVURJKSA-N 426.477 0.329 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1689988196 KTXFJMKFFDAFIG-GJZGRUSLSA-N 446.533 0.763 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689993974 OJKPHYGIFZHUHZ-SJORKVTESA-N 440.591 0.682 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)CC1 1690111802 KEJGWIYHLIOLRT-CQSZACIVSA-N 437.957 0.740 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccnc2N2CCOCC2)CC1 1690133394 FMACWAAJDMENAG-UHFFFAOYSA-N 425.537 0.850 30 10 ICEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)C1 1696198436 APOYDEYWHKIHNU-WUZYXKQASA-N 440.504 0.698 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC 1705481483 HGWWOKYVTJAZRL-CYBMUJFWSA-N 425.536 0.356 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1705644591 WIJOQNAVRRWUEY-WJOKGBTCSA-N 448.593 0.683 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCn2cnnn2)CC1 1705650067 KORNGPOVUKUUPZ-UHFFFAOYSA-N 434.508 0.307 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722358060 DFKBLSFGULKYGU-QGZVFWFLSA-N 447.565 0.605 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722364364 LANORYXZRINDHW-GJZGRUSLSA-N 428.580 0.996 30 10 ICEE CCc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727569541 KAKWCRCEGFLGLS-ZCXUNETKSA-N 427.509 0.816 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1740941942 XFADETITMJXDPP-KRWDZBQOSA-N 435.550 0.874 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740962596 ISDNLJAMSGHLJK-HNNXBMFYSA-N 438.579 0.751 30 10 ICEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1740967303 CITGJDAPOCEEFK-QGZVFWFLSA-N 440.504 0.575 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1748820051 YDRPZJXZBGEWSB-LAUBAEHRSA-N 442.545 0.369 30 10 ICEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749646115 LGIBNHYGBQWKPY-GJZGRUSLSA-N 445.524 0.683 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749664200 YJJCSNNYUKJOSX-UHFFFAOYSA-N 435.492 0.338 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760187658 KUJCCLCSQYEXSO-RBSFLKMASA-N 430.477 0.833 30 10 ICEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1760260957 IFOGLTFIKJTDMN-UHFFFAOYSA-N 446.577 0.546 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1760528554 GQHBONHUXRTVOZ-WHSLLNHNSA-N 432.525 0.480 30 10 ICEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760568139 ZTIYXQPNLZSYMA-UHFFFAOYSA-N 448.593 0.657 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC2CCS(=O)(=O)CC2)c1 1771531818 DZCDWOCWXXTYPS-UHFFFAOYSA-N 428.518 0.968 30 10 ICEE N#C[C@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1)CC2 1857294895 CQZVXSLPBMOEIA-NVXWUHKLSA-N 434.562 0.801 30 10 ICEE C=CCNC(=O)NC(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195286350 JCBDMCDHOBNQHT-DHMKHTPVSA-N 439.490 0.905 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2255610627 ZQGBWUXHKCOZSA-STQMWFEESA-N 433.318 0.948 30 10 ICEE Cn1nc(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 2255610724 ZYERLQBCZMGHPQ-VXGBXAGGSA-N 433.318 0.709 30 10 ICEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255824448 IGCSKNOBFIWTDX-ZIAGYGMSSA-N 436.318 0.429 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C#N)c1=O 505633017 FOMFTGYQZCPJHE-UHFFFAOYSA-N 444.520 0.938 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@@H]2CCCO2)C1=O 730143738 DGTQNLYQDGGMQC-IRXDYDNUSA-N 447.561 0.964 30 10 ICEE CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732707862 GKIAHFLEQNMDPF-FQEVSTJZSA-N 440.548 0.895 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCN1C1CC1 732708119 NBBZJEHGZAHEHU-OAHLLOKOSA-N 430.896 0.413 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758589685 UPOIIMGFLMOEQW-UHFFFAOYSA-N 437.525 0.263 30 10 ICEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1167213506 GWRQLFPGZWLMDV-IBGZPJMESA-N 425.482 0.469 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286449932 KQNIQSPNPDPIPF-SFHVURJKSA-N 429.569 0.803 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1296605331 HNXRMSJRILDVBM-PMACEKPBSA-N 436.488 0.654 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1300494988 AXWUKKDIIXVGDH-ZWKOTPCHSA-N 439.582 0.725 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 1302924640 QDGQYQINGOXFME-UHFFFAOYSA-N 446.451 0.566 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(F)(F)CO)CC2)CC1 1307886412 ADRFIKMNNMEKQK-IBGZPJMESA-N 439.482 0.780 30 10 ICEE C#CC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1309998998 PQLKLVWJPMKIJO-GJZGRUSLSA-N 429.520 0.312 30 10 ICEE CC#CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312976818 LLJHARWFVFNXIW-KRWDZBQOSA-N 438.550 0.221 30 10 ICEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1460843356 ARAWSQXSDIRSQV-NVXWUHKLSA-N 447.513 0.878 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 1475234049 ZOMKIRSMEYLJRS-UHFFFAOYSA-N 447.513 0.090 30 10 ICEE CCOC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1502502946 VSGRYTNNHMCXOP-CQSZACIVSA-N 448.505 0.972 30 10 ICEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507951198 CIJZOUJMEBGDQN-AWEZNQCLSA-N 443.533 0.383 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1508144668 WOGDVIHNLZZGNB-UHFFFAOYSA-N 445.611 0.693 30 10 ICEE CN(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517015423 FPENIDARCFZERH-QGZVFWFLSA-N 440.508 0.342 30 10 ICEE COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C 1519223327 VHUZPNYAMUAIKW-HZPDHXFCSA-N 448.549 0.850 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1525837901 GDCARKIQEFLJHD-UHFFFAOYSA-N 428.507 0.828 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C 1538992385 QIPAJUBMJFQCER-OAHLLOKOSA-N 443.537 0.707 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539215911 LKDJEVDBPOVMSL-MRXNPFEDSA-N 429.506 0.958 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1543554576 DVIIRNMSFGDUMK-UYAOXDASSA-N 437.475 0.945 30 10 ICEE C#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(=O)OC 1626188349 WRBGEFLNHIMJIR-KBPBESRZSA-N 428.532 0.968 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC(O)(C(N)=O)CC1)CCCC2 1643067265 AMEQJIAMOOEAHL-HNNXBMFYSA-N 429.521 0.668 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC#C[C@H]2CCCCO2)C1 1653543610 DSOOJMCZVIBYLE-JXXFODFXSA-N 426.535 0.957 30 10 ICEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1665578579 COGHNGQPLQGQPT-UHFFFAOYSA-N 436.534 0.766 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 1687212613 BTXHWMKWRXNGCL-UHFFFAOYSA-N 426.930 0.534 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690678270 QFRZQOXUUJLILK-ZWKOTPCHSA-N 445.568 0.565 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705662199 SIWKRAGPYYNFMH-SFHVURJKSA-N 432.594 0.893 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1706887740 QOVDRZKNJOQLNG-TXCZRRACSA-N 437.570 0.490 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cnc2ccccc21 1706889482 FZTIMXNYNZNZIC-LSDHHAIUSA-N 444.521 0.667 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740957274 IDQVCGBWWRJYAC-KRWDZBQOSA-N 436.524 0.876 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1740987714 XUYLOJNIOXAPBR-YOEHRIQHSA-N 447.583 0.106 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748811380 FRFLEXSMVOVIFY-INIZCTEOSA-N 432.550 0.827 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748825017 VLTDKDDJUJPPTH-HNNXBMFYSA-N 425.511 0.284 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1749401973 GRCFPYZXOSSUJE-HZPDHXFCSA-N 440.570 0.634 30 10 ICEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750845035 IBKBLTSIJYTVCS-ZWKOTPCHSA-N 431.541 0.600 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770358982 OTSHSQCIGQQUFS-NVXWUHKLSA-N 437.570 0.288 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cn2c(=O)sc3ccccc32)C1=O 1854282754 OPIFXELSQQXRET-HZPDHXFCSA-N 428.514 0.909 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)[C@H](C)C2=O)CC1=O 1857078925 VBGCQJSPQKVZFT-GDBMZVCRSA-N 437.493 0.749 30 10 ICEE COCCCn1c(C(=O)NCC#CCN(C(C)C)C(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1890045495 FTINKUJDNGDDLI-UHFFFAOYSA-N 445.564 0.927 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)n1 2270600847 SSYUJQAJUUFPPY-NSHDSACASA-N 445.251 0.788 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC(C(=O)O)C(=O)O)cc2Cl)OC1(C)C 2284411868 PICWHDHNRCMYNO-UHFFFAOYSA-N 425.677 0.517 30 10 ICEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 427664007 GRTGSOKJTONNBJ-JKSUJKDBSA-N 436.468 0.992 30 10 ICEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)OC)CC1 509001811 OQZCZDKXDLZOMU-UHFFFAOYSA-N 426.525 0.933 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)CC=C)cc2)CC1 605410602 SCDZSAGIDAGXHI-UHFFFAOYSA-N 435.550 0.945 30 10 ICEE CNC(=O)Cc1nc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cs1 748490084 BMQRPUPMRTWLRB-UHFFFAOYSA-N 436.515 0.994 30 10 ICEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 758069014 VRFKQCJZFPDRIM-UHFFFAOYSA-N 426.519 0.819 30 10 ICEE O=C1NC(=O)[C@@]2(CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)N1 790231377 LZHJJQHSBMSBRW-FQEVSTJZSA-N 447.517 0.486 30 10 ICEE C[C@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]2CC[C@H]1O2 791556149 DMJGKZCQKYAPPW-BLIXFSHQSA-N 447.513 0.892 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 802142749 DQCDTTDUURWZBS-MVZUJROASA-N 425.445 0.940 30 10 ICEE CCOC(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 803831342 NUJYYLNDAZJWGV-UHFFFAOYSA-N 434.449 0.406 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2c(F)cccc2F)n1 811471841 LMMDUITZKCQFGV-UHFFFAOYSA-N 426.445 0.748 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3ccccc3)CCOCC2)C1=O 1179298592 IKJDHGZZRVJLDS-UHFFFAOYSA-N 428.489 0.714 30 10 ICEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336312 HGEKUBPJTIJOBK-RBDMOPTHSA-N 446.573 0.394 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1286432746 WGIUYKNSOQEFKP-QGZVFWFLSA-N 432.550 0.287 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](COC)OC)CC1 1286473216 IUYFYBZHSDFUEM-GOSISDBHSA-N 447.561 0.765 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286607105 BFCBEDDDONYWCX-ILXRZTDVSA-N 426.495 0.887 30 10 ICEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286622108 CVHIKXZRJWWJEU-UHFFFAOYSA-N 438.883 0.905 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286686569 BABDOXRDEATQKA-DNVCBOLYSA-N 440.570 0.669 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)C1 1286801561 ZRAOIPOURPNJDT-CPUCHLNUSA-N 431.584 0.538 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1299301830 ORYUDFQONXTKEA-IBGZPJMESA-N 429.506 0.082 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1300665809 OJWAXESZAGOCFT-LJQANCHMSA-N 441.536 0.954 30 10 ICEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1358922741 PDNBZSPRDUCXDR-UHFFFAOYSA-N 430.534 0.935 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959743 PBAAIKXZQYFZHI-NQIIRXRSSA-N 441.513 0.595 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1508084977 RNNVXUVTBFYKMF-IBGZPJMESA-N 436.520 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508141227 URMNCHQYNSYMRE-ZDUSSCGKSA-N 428.540 0.205 30 10 ICEE COCCO[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1519246328 DJQXIPBJVSNLOC-CABCVRRESA-N 429.543 0.680 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540036642 QLBUYIWZFWBTBT-BEFAXECRSA-N 439.538 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1540897440 JBZONCVQGQPAFB-UHFFFAOYSA-N 428.559 0.368 30 10 ICEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1555837462 VQVIBSJODCDBDV-CJNGLKHVSA-N 425.518 0.715 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CCO)CCN2CCOCC2)C1 1566527420 VLMFUZUHHPDSRC-UHFFFAOYSA-N 437.338 0.910 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589708585 PBFVYZCLUISOLQ-CYBMUJFWSA-N 434.588 0.325 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594097639 XFZJYAFRMWWMDT-HNNXBMFYSA-N 444.579 0.276 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1595537545 SJQSRYQQBFBKLP-AWEZNQCLSA-N 430.538 0.623 30 10 ICEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1620501295 AWQBXNQKWKIDPV-IBGZPJMESA-N 442.545 0.877 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1636354215 UQYCJPRKEARFLQ-KRWDZBQOSA-N 435.550 0.316 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1 1636475689 SUFXSDPZEBFIGP-HNNXBMFYSA-N 436.559 0.373 30 10 ICEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1654331035 FGWXDCRXBHDMAR-UHFFFAOYSA-N 435.546 0.694 30 10 ICEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1698221201 WROZYJXRWZILOP-UHFFFAOYSA-N 442.524 0.673 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712693816 BKDTVYZVXHANFH-DOMZBBRYSA-N 439.519 0.316 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722370741 PVPIZSCGSHCWJE-QGZVFWFLSA-N 439.582 0.288 30 10 ICEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722682162 POQNVKHIJDFLEQ-UHFFFAOYSA-N 431.541 0.543 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722697510 KBLWTXGLXNGZSO-UHFFFAOYSA-N 448.487 0.713 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1722698350 DSHHQKAXMTZPDZ-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1722698629 IZLRJAFOUPZTDB-INIZCTEOSA-N 438.598 0.793 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722728836 YXNRGOLXLPLIDM-CABCVRRESA-N 434.584 0.990 30 10 ICEE CCOC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729107935 SNFCUGDHPDAQRK-QFPXGYFVSA-N 445.524 0.806 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCCCO)CC1 1740824769 BPRLXCLHKAENRS-MRXNPFEDSA-N 445.611 0.883 30 10 ICEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1748407294 CEUXVDQTCCIFQS-YNEHKIRRSA-N 437.444 0.876 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748752306 UZKPJVPXPJVTPD-HZPDHXFCSA-N 443.595 0.359 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)C1 1749713396 SQBUPERCVUYXBS-NVXWUHKLSA-N 435.554 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749721757 SSVXWMXZQRAQCX-KBPBESRZSA-N 439.494 0.229 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)CC1 1760259465 BZVSBDBMHJCBFC-MOPGFXCFSA-N 429.569 0.485 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CC2)N(C)C)CC1 1760271450 YCRBGMLHGJORTL-IBGZPJMESA-N 441.580 0.707 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(CO)nn1 1767087705 FQZGMYBVBXHJBW-SFHVURJKSA-N 435.492 0.911 30 10 ICEE CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1768154207 VKGKCCJWZVMUPQ-OAHLLOKOSA-N 426.543 0.778 30 10 ICEE N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCC[C@@H](O)CO)cc12 2069792593 QZMBTVFJLUDTOD-UONOGXRCSA-N 448.426 0.846 30 10 ICEE Cc1nc(S(=O)(=O)N2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282874405 ZZJGORNCJLKLBL-UHFFFAOYSA-N 427.332 0.555 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)[C@@H](C)C1=O 2286045161 MFWGGGXQPAZPMI-GOEBONIOSA-N 439.490 0.415 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 481797371 SEAYEOZMHAUWNB-QGZVFWFLSA-N 431.537 0.912 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)N[C@@](C)(C#N)C4CC4)CC3)C2=O)n(C)n1 506679535 QSEJBWNKBGOXTB-AVRDEDQJSA-N 427.553 0.650 30 10 ICEE COc1ccc(COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1C#N 534632329 ZPIIOGFAAASTQZ-UHFFFAOYSA-N 429.458 0.961 30 10 ICEE CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695738 CGPWZYZAQBWQDA-UHFFFAOYSA-N 430.530 0.688 30 10 ICEE C#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 741214528 XCEQLWRHLFZFPJ-OAHLLOKOSA-N 441.527 0.661 30 10 ICEE C#CCN(C(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 807566561 XXOVAPUSCCUCGV-XQQFMLRXSA-N 427.552 0.896 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1286465844 BVULNELVBKZUGR-AWEZNQCLSA-N 437.488 0.760 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286820357 KBYGWAWQTDJDRH-MDZRGWNJSA-N 426.539 0.767 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300501750 NIFIQKZLWANHCD-IRXDYDNUSA-N 449.577 0.842 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1300779964 JFTPUWLSLSOVON-OXJNMPFZSA-N 438.598 0.991 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1300952531 XJGKPMJPMZRMRJ-OAHLLOKOSA-N 438.554 0.294 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 1312326793 IAYQLKNLFNUFSG-KRWDZBQOSA-N 444.561 0.907 30 10 ICEE CCO[C@H](C)c1noc(CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1319282959 CKDZPDYPXQHIGN-NXHAUGRDSA-N 432.481 0.728 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1358872773 YSCLYKWCCZKRAA-ZIAGYGMSSA-N 436.513 0.915 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNS(C)(=O)=O 1358876205 DWGOVGUGFYFCDP-ZDUSSCGKSA-N 437.522 0.978 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1358964058 SFGVARMLOQGJSB-HZPDHXFCSA-N 437.522 0.251 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468663947 SJOJXGACCBNEKX-MOPGFXCFSA-N 427.553 0.679 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507633659 UMEUFYLWRSHIPR-GJZGRUSLSA-N 438.531 0.448 30 10 ICEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507640808 WKKVFWYNICCFHU-QGZVFWFLSA-N 445.545 0.928 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1507718085 AVVMXRYWYQCGJH-VXKWHMMOSA-N 430.553 0.552 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508144701 SBQFKTLLQURMSY-ZDUSSCGKSA-N 438.579 0.902 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCCCS(C)(=O)=O 1510180148 YABJUPJDZDUCCO-CQSZACIVSA-N 446.599 0.843 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCC(=O)N2CCOCC2)cc1 1521109406 APSNTJPAAXZIMH-UHFFFAOYSA-N 426.477 0.814 30 10 ICEE COC[C@]1(CN(C)C)COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536592935 BPNWQBGAQGRZPZ-XMSQKQJNSA-N 443.504 0.569 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540019510 JJYATRCKOCDRPK-UHFFFAOYSA-N 442.524 0.694 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1547715523 LACAMMXMAFLRKF-TUPYQCFKSA-N 442.524 0.286 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(=O)NCCN3CCCCC3)C2=O)cc1 1569057098 CIGOAFSHQBNZPI-SFHVURJKSA-N 440.504 0.482 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)[C@]3(C#N)CCCOC3)C2)CC1 1586902492 XTLHOINTKMBSNG-IBGZPJMESA-N 442.538 0.400 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1588162037 GVXYLMRCINANNW-UHFFFAOYSA-N 446.558 0.378 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1588574321 DIGWDUNEWBUOMK-HZPDHXFCSA-N 441.554 0.518 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1588645761 CDGZNGVZZVNRSA-GVDBMIGSSA-N 426.539 0.318 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1595543950 CJIXKEBNRSGSCC-FGTMMUONSA-N 448.568 0.842 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595797706 HXVCZRXWNFEZMC-IAGOWNOFSA-N 441.554 0.114 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1595991960 PEJZGZSQUSSKRH-HZPDHXFCSA-N 446.533 0.998 30 10 ICEE O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N[C@H]1CCN(O)C1=O 1624906641 OZHTUAOMDLIWFK-HNNXBMFYSA-N 429.290 0.812 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 1635555335 DRUGQNNGVAYRST-CYBMUJFWSA-N 429.495 0.763 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCc1ccccc1N1CCOCC1)c1cc[nH]n1 1635891251 XTPIKHZAKDWFGF-UHFFFAOYSA-N 429.477 0.889 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 1678353176 ZYEBWDPQCSLTSX-UHFFFAOYSA-N 435.550 0.459 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)CC1 1681926497 SLRXAXOFPRVRGF-QGZVFWFLSA-N 434.497 0.443 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1683138590 UBAGAZNQZDRLAP-UHFFFAOYSA-N 449.493 0.128 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689996734 NHTYBDUBHHKZDL-OAHLLOKOSA-N 425.580 0.780 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689998217 FZQYSZRCEHTNGS-JKSUJKDBSA-N 437.566 0.919 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1690678410 VMWDZHVTOICTBI-VGSWGCGISA-N 448.568 0.926 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1690714312 JVVYKEQDKPSYSP-UHFFFAOYSA-N 447.583 0.032 30 10 ICEE CCNC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1695944275 SHOVGNPHZLUPFI-VHEBQXMUSA-N 442.524 0.609 30 10 ICEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1697975339 GJIXMFSYGJZMGZ-WMLDXEAASA-N 430.506 0.480 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1698318780 LBJZIHYRENFNIX-GJZGRUSLSA-N 432.462 0.480 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1705628290 CCAPCEOMUDZPTF-IRXDYDNUSA-N 439.538 0.042 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1705662367 XHCBMWMEWCMLGR-GJZGRUSLSA-N 429.568 0.203 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1722367806 XGKXHHRVJBLLDL-MHKRFPNSSA-N 429.568 0.481 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722369057 YCBCTVWMPUUFKI-CVEARBPZSA-N 447.517 0.432 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740599409 AGVVIXZZUAEKNB-MJGOQNOKSA-N 446.577 0.859 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1740622690 GVQAVLRKUAKRCL-OAHLLOKOSA-N 436.563 0.477 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 1740818795 VCGVUTBQSKBUJI-AWEZNQCLSA-N 432.572 0.080 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740959921 HFJOXOWIBQPCEC-ZWKOTPCHSA-N 429.525 0.803 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748814407 FMBWXKNFKXINBG-HUUCEWRRSA-N 430.552 0.191 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749001328 QBCQLYLJYALZCR-LNLFQRSKSA-N 430.553 0.672 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNS(=O)(=O)CC)CC1 1749286082 DXUNGMKEPYBEGZ-CQSZACIVSA-N 434.588 0.374 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1760495491 PKCJMEPQGVGYSM-KRWDZBQOSA-N 435.554 0.995 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1760521837 FGABTTBBJIHFBN-JKSUJKDBSA-N 441.554 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccn2)CC1 1760555287 BKPUQVBPZKAJLT-MRXNPFEDSA-N 433.538 0.499 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761019144 QOYNGMOLGPLAHH-KCQYIYACSA-N 427.509 0.862 30 10 ICEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1=O 1771126429 DMWJKLWINQOJKS-WMZOPIPTSA-N 437.504 0.623 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(F)CCC2)C1 1771362786 KBAKOYKUMSCJTE-CABCVRRESA-N 442.517 0.622 30 10 ICEE COCCN(CC(=O)N1CCCC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)S(C)(=O)=O 1855407476 KTVVBNMLYXOHFL-IAGOWNOFSA-N 440.566 0.428 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC)cc1 1865730064 XLFBNXYWLQIYNM-INIZCTEOSA-N 438.484 0.988 30 10 ICEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 514975457 MPZZOUDRFWSZGG-UHFFFAOYSA-N 447.542 0.905 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 565111423 MGKFCOREWFVLAL-INIZCTEOSA-N 448.553 0.304 30 10 ICEE C#CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCS(=O)(=O)C1 729332268 XFEMRIYZYQLROH-MRXNPFEDSA-N 449.554 0.496 30 10 ICEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 749387138 DSRLMWHVACQWOE-JLUOLNIDSA-N 427.436 0.997 30 10 ICEE CNC(=O)CCOC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 752747903 VRRYCPIWAAHSIG-CQSZACIVSA-N 436.534 0.647 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccn(C)n2)cn1 760458973 OCBOWHBKSCBFRV-KRWDZBQOSA-N 446.581 0.879 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 774743948 HVFVYPLUJMMWRQ-CQSZACIVSA-N 439.964 0.696 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(S(=O)(=O)C2CC2)CC1 802286122 MKHBPPLGZDBTRW-UHFFFAOYSA-N 440.547 0.142 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)s1 1137178941 NZKCBOFNSNNONT-XIKOKIGWSA-N 440.547 0.592 30 10 ICEE NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1157544949 OTPVCFRJAGXVFC-UHFFFAOYSA-N 435.502 0.649 30 10 ICEE COc1cnc([C@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1O 1180053901 JEMJHCGJGWMFPA-CYBMUJFWSA-N 431.474 0.983 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 1194096811 NNIJXBVJLLCPKQ-UHFFFAOYSA-N 445.416 0.498 30 10 ICEE CC(C)N(CCCNC(=O)CN1CCN(c2ccsc2C#N)CC1)S(C)(=O)=O 1196082930 DSERFARFENTKEN-UHFFFAOYSA-N 427.596 0.918 30 10 ICEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286499798 OVQPWYJXIWWPNK-MRXNPFEDSA-N 440.529 0.467 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286820078 DLAYLBVUHKSEMM-RRFJBIMHSA-N 434.584 0.641 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1316102232 UULHCECSIMDODM-IAGOWNOFSA-N 440.570 0.820 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358955626 PXJZRPBJHIMRBN-INIZCTEOSA-N 447.565 0.442 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1358969548 RFZKSQHKHUJXFJ-KSZLIROESA-N 436.582 0.460 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1359105918 VNHQIJXENQQXNA-MSQSPTIYSA-N 449.552 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359327213 VQPAQWIIKDWSTG-UHFFFAOYSA-N 440.570 0.577 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1)c1cc[nH]n1 1457066601 MSDZDERCIKTOGV-SSEXGKCCSA-N 442.542 0.507 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)cc1 1471974264 ATKBJYVADSFKAJ-UHFFFAOYSA-N 428.470 0.954 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1504410274 JKDOJCBNSVCAPI-MRXNPFEDSA-N 434.522 0.546 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1508421480 BHXULQSWIAUKLK-KGLIPLIRSA-N 429.568 0.743 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539145252 HLLNGJSELJUFEZ-QGZVFWFLSA-N 438.536 0.938 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539179670 QWKCUDMJDIMGOJ-HZPDHXFCSA-N 444.565 0.750 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1COCCO1 1541661701 MQGNPUHNVLWGAE-OAHLLOKOSA-N 427.465 0.367 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1554303253 DCTNTZLZFGHOHT-UHFFFAOYSA-N 448.549 0.734 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1588054082 KPXGOCOWFIBIBN-KBPBESRZSA-N 445.492 0.528 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2N(C(=O)OCc3ccccc3)CC2(C)C)CC1 1588198856 ARZRVIJOEHWSFH-SFHVURJKSA-N 448.545 0.645 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1588752982 YHGXZLABJIINQC-QHCPKHFHSA-N 446.596 0.796 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595530274 ZEKXYHUQEFDLLA-KRWDZBQOSA-N 426.525 0.586 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595569550 JFAJYEOGZMVOCD-APWZRJJASA-N 442.568 0.599 30 10 ICEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1=O 1622074429 FLNDQVMLOSQKPH-NSHDSACASA-N 444.311 0.908 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3CCC4(C3)OCCO4)C2=O)cc1 1640987279 BOABATBBQICTTP-QGZVFWFLSA-N 427.461 0.328 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NC2CCN(CC#N)CC2)C1 1641258986 SFEYDUPDJUVSBX-AUUYWEPGSA-N 426.539 0.372 30 10 ICEE C#CC[C@@H]1CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1671005048 QXLLDEPDRXEAKF-OAHLLOKOSA-N 443.547 0.846 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 1674580607 YRZMRHQTEQBMRJ-UHFFFAOYSA-N 437.522 0.938 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689990722 QYMYRFKZDXSYQS-QZTJIDSGSA-N 444.561 0.918 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1690067705 HTDYKHPJNLTXET-HXUWFJFHSA-N 434.518 0.971 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690671426 VWHWRDRMXABXDR-SFHVURJKSA-N 446.552 0.897 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1698310863 CSAYIISJFPQMGU-HNAYVOBHSA-N 433.513 0.987 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705565911 KRAOFIBEGZAVDS-IRXDYDNUSA-N 432.550 0.889 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1705621329 BTUMPSVTPUWILD-OAHLLOKOSA-N 449.533 0.794 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705662301 VPFMPBIRHJIFCN-VLIAUNLRSA-N 432.550 0.963 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1711026009 BVONMFADOUJLQG-WBVHZDCISA-N 449.558 0.875 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722370752 OGBWEYQBBALXCI-QGZVFWFLSA-N 435.488 0.493 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1740640524 PGVUCVHRIKTSBQ-AEFFLSMTSA-N 434.566 0.167 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1740696226 ONNIEXGNYKEJII-GOSISDBHSA-N 443.577 0.833 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCSC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1741682901 CEQFUOFBTDYBDL-SXXBIRCQSA-N 433.538 0.884 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1748805074 NTIKQUFGURFIDK-SFHVURJKSA-N 436.559 0.806 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748814372 DUTAUOGIZGVRDJ-WBVHZDCISA-N 440.591 0.997 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749730548 IBLZFLRZOLZGGW-MRXNPFEDSA-N 428.522 0.512 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749737101 XQQFPPQBPBTNTA-AEFFLSMTSA-N 444.561 0.827 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1752328205 TUMPETPPRDNDIW-ITZAQCPESA-N 438.492 0.477 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1760185162 QYYCCHBDPRPIHO-KRWDZBQOSA-N 432.550 0.545 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760187956 MIEOBYLPJGMFDG-BRWVUGGUSA-N 426.539 0.460 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1760201616 GNLDIOMBBLBFKQ-UHFFFAOYSA-N 433.516 0.843 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1O 1767921409 FOAXEQZIBCQOCP-FCGDIQPGSA-N 441.488 0.717 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(C#Cc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 1887522818 QPPYETBHWRNQCK-QGZVFWFLSA-N 439.468 0.781 30 10 ICEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255693694 IOQJTMWKWWHMIS-HXUWFJFHSA-N 436.318 0.781 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] 72443757 NGQUKQWCERQRRB-JSGCOSHPSA-N 437.416 0.604 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)C[C@@H](C)O1 441037074 QHOVEIAYHOPFRN-MRLCAUJQSA-N 427.571 0.998 30 10 ICEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCN(c2cccnn2)CC1 460613996 SYUDWCWVQXTDEO-UHFFFAOYSA-N 431.460 0.915 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)ccc2N2CCCN(C(C)=O)CC2)C1=O 468567576 SNOHEDQMRHQXFC-UHFFFAOYSA-N 445.451 0.800 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC3)C2=O)n(C)n1 509217042 IWJMKOWBQBPQQO-SJORKVTESA-N 437.570 0.320 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 520148284 ZYFYERCUDVTSMC-UHFFFAOYSA-N 436.578 0.727 30 10 ICEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 747833245 UPPWGNXMRCZCHS-QTTDFFODSA-N 440.456 0.708 30 10 ICEE C#CCN(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 807566557 XXOVAPUSCCUCGV-JHJVBQTASA-N 427.552 0.896 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cnn(C)n2)C1=O 807936764 RRFFHMJZATZVOW-HLGQQVFSSA-N 444.565 0.321 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286349435 JDFRBGRZNRSDMA-IAGOWNOFSA-N 435.550 0.421 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286393968 SJMWFVMCAXDXEI-GOSISDBHSA-N 444.561 0.663 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286818964 VCNIMHJRLVKPQN-HNNXBMFYSA-N 447.565 0.774 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1288524474 CZRXUAJOUFZWKN-DOTOQJQBSA-N 433.538 0.987 30 10 ICEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1300299701 BQHZKDZOYSPTIE-AWEZNQCLSA-N 426.491 0.229 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1300305012 RSOTVZLFWFTHDU-HNNXBMFYSA-N 435.488 0.509 30 10 ICEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1316535989 AERHLUKJCHTUEF-UHFFFAOYSA-N 429.525 0.779 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1=O 1357715983 SKHRIWCLCHGERI-LCYFTJDESA-N 443.441 0.211 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1359332898 JVZDVLVMNMRXJY-INIZCTEOSA-N 441.579 0.911 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1359333404 WTBIHHDTEGJHSD-QGZVFWFLSA-N 435.554 0.891 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1467814605 OFPVFLXEDPKYJX-XXBNENTESA-N 442.516 0.042 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1508095728 RPWGTAGWOYEISC-UHFFFAOYSA-N 429.525 0.151 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1508123420 HXCDUDQSMBMOFK-QZTJIDSGSA-N 439.582 0.684 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539226474 YXGHGTCJPNWUDD-SFHVURJKSA-N 425.518 0.672 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1539291973 YVQGHIYKTWPSDP-UHFFFAOYSA-N 445.527 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539467765 YZOQPYSZEDUPOR-QRWLVFNGSA-N 437.566 0.307 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587978917 CTZFOSPTAXNHPU-AWEZNQCLSA-N 441.517 0.945 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1593746806 NPNHCJVADLIBAV-SJORKVTESA-N 443.570 0.676 30 10 ICEE C#CC[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1625387562 NNMVWKFYMNVYRB-YPMHNXCESA-N 435.424 0.118 30 10 ICEE C=C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1630164839 VCIUTJUWAFVQLJ-OAHLLOKOSA-N 429.926 0.616 30 10 ICEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1645267808 NWPXHVCWIZWBBI-BEVDRBHNSA-N 430.486 0.159 30 10 ICEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1645998047 YTVMCNVIELAGGH-SZFUDVHCSA-N 431.514 0.459 30 10 ICEE N#Cc1cccc(Br)c1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1651589889 FOOHXQYTISCLPV-ZDUSSCGKSA-N 448.364 0.960 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)CC1 1671104735 VXGTYZJJZYTPQI-LBPRGKRZSA-N 441.535 0.038 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1690077432 OJDNAFWXHSFENB-SFHVURJKSA-N 447.517 0.848 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690119529 IONRRIUWSKZNDJ-FQEVSTJZSA-N 433.509 0.389 30 10 ICEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690322019 RRBKVYTWBISFRP-GOSISDBHSA-N 446.552 0.993 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1705494812 GJKCPQRPKBACPJ-GUYCJALGSA-N 436.538 0.976 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705552113 VOMIQBRZWPSQOX-KSZLIROESA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705564275 BNRIXZYBWSMCNM-HOTGVXAUSA-N 428.580 0.853 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1705909445 XMTDOSFRJXPRAP-NRFANRHFSA-N 442.524 0.349 30 10 ICEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1712881651 CLHMFVVOYYOUOQ-GASCZTMLSA-N 434.403 0.672 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722367899 NPCJTUKUMVADAW-MSOLQXFVSA-N 448.593 0.588 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1722385339 FUACNJTYTLZKPP-UHFFFAOYSA-N 433.516 0.753 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1722442491 TXDQQFGHKUFROG-QHCPKHFHSA-N 435.532 0.551 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722692422 LRQLECGJPPJJDH-UHFFFAOYSA-N 441.492 0.372 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1722698686 KLQRHEGHGMJEBT-CQSZACIVSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722703079 VDZLLYBSMOJHCH-BXWFABGCSA-N 446.552 0.799 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1740630203 GQSRGTVBZJKGDX-ZWKOTPCHSA-N 436.582 0.318 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC(O)CC2)CC1 1740700583 CVEXRMBRESZPMW-FPOVZHCZSA-N 446.596 0.604 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740957454 ONFSTAIZGNZKPD-QFBILLFUSA-N 440.552 0.564 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1748791469 SZJFJOANXRMAHB-BOSXTWCSSA-N 437.566 0.622 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748801463 AHNCADIMZMWMLA-SFHVURJKSA-N 442.545 0.779 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748818620 CQGYLIWIHHRQQW-PXNSSMCTSA-N 431.518 0.042 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1748977717 AMFZSDQFOXANLY-DFXYEROKSA-N 435.594 0.987 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNS(C)(=O)=O 1749067365 RHQBOHWYSYEOOS-WMLDXEAASA-N 429.568 0.112 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1760179387 QZNGEZIOTGSAMT-KRWDZBQOSA-N 449.577 0.958 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1760205735 ILFROFILYJASEC-MOPGFXCFSA-N 432.594 0.279 30 10 ICEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769266673 WYSLUYXFANCANP-INIZCTEOSA-N 430.488 0.994 30 10 ICEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1770801473 DOGHMWWWJWZEIC-JKSUJKDBSA-N 429.456 0.927 30 10 ICEE N#C[C@@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1)CC2 1857294896 CQZVXSLPBMOEIA-RDJZCZTQSA-N 434.562 0.801 30 10 ICEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594911 HJPVSAQXNQTPCF-UHFFFAOYSA-N 446.508 0.635 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)CC1 1889350172 KDSGIDBUEOGZEQ-UHFFFAOYSA-N 427.549 0.379 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2255647723 CQVHUGHZYSHOIT-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE C#CCN(CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1)[C@H]1CCS(=O)(=O)C1 250671764 MSWVKVJDVHNSDB-QFBILLFUSA-N 431.514 0.980 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 428002380 WYMCBNCGPPJSBY-LFJMAAQESA-N 427.526 0.850 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 564378894 KGVVBAZMODETRI-SFHVURJKSA-N 430.461 0.893 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 603801143 YTFHGLKKFDKVCN-QGZVFWFLSA-N 425.510 0.879 30 10 ICEE C=CC[C@]1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCN1C(=O)OC(C)(C)C 790570928 NRJVUZGFPYIZTA-HXUWFJFHSA-N 433.513 0.690 30 10 ICEE CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 802632620 LPTSDHFSVSLQPE-OAZPQLMHSA-N 435.506 0.175 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(F)c1 804161285 CYPKXYFSSFSIPI-UHFFFAOYSA-N 425.420 0.877 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 917798957 HOZBWUULZTYATC-UHFFFAOYSA-N 432.509 0.924 30 10 ICEE C[C@H](NC(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)N(C)C 918894471 QMKXCDSBVNKSRQ-QMMMGPOBSA-N 434.396 0.906 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)CC1 1152974241 QMDPKCUKXBZCLL-UHFFFAOYSA-N 427.567 0.992 30 10 ICEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)C1=O 1156424937 LUAFGIAWRSHQLZ-SFHVURJKSA-N 440.526 0.833 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286340986 ARRZZOKSLPVLSM-AWEZNQCLSA-N 446.599 0.210 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncn(C)n2)CC1 1286473968 ZEUSGTBXSZBOBS-UHFFFAOYSA-N 430.314 0.968 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)CC1 1286480390 NDHWJTKJNORCJV-LJQANCHMSA-N 445.545 0.981 30 10 ICEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286507412 ZSUHLKIKKSVEIN-KRWDZBQOSA-N 432.594 0.939 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286793238 ALUHBFFRNFPVSO-OAQYLSRUSA-N 444.540 0.293 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1300465790 QKXUTTUQMMVALH-INMHGKMJSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1300495183 FDERYXQFDAIUNS-IRXDYDNUSA-N 426.539 0.198 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1300686282 ZKKFSARVZDNJQI-SIKLNZKXSA-N 432.569 0.406 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 1305431231 INSFGBMOZVHGNA-UHFFFAOYSA-N 433.530 0.890 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC3CS(=O)(=O)C3)nnc12 1320766747 GNYWTUPUDVSSKM-UHFFFAOYSA-N 447.542 0.873 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1358962652 UGORGISRTMBKQE-INIZCTEOSA-N 426.564 0.773 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1359028161 IZVZCRFOCCNHLA-SFHVURJKSA-N 440.552 0.572 30 10 ICEE C[C@H](CC(=O)NCCN1C[C@H]2CCCCN2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1453950045 LXRUPMSFWORWNB-HUUCEWRRSA-N 433.534 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 1455114433 DLSSOKOVHZXYER-UHFFFAOYSA-N 425.507 0.257 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)CC1 1464847648 PUJALBZDIVGGRE-BGYRXZFFSA-N 426.517 0.975 30 10 ICEE CN(CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CCS(C)(=O)=O 1471668585 RJUGIKCCCBKVEO-AWEZNQCLSA-N 426.926 0.657 30 10 ICEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 1473851291 CJKOPDUHPPKQCB-IAGOWNOFSA-N 431.562 0.420 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1507617268 ROGHBQDMKZBNQP-OAHLLOKOSA-N 437.547 0.228 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508078557 ZHJGHUOIOZCEPH-QGZVFWFLSA-N 443.533 0.637 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1539230773 QIVINCKQQIYIHN-CQSZACIVSA-N 449.562 0.235 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1539231346 REQDPKVCAAWVIY-UWVAXJGDSA-N 438.550 0.779 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1539460106 WLGRCQDVGPADHM-UHFFFAOYSA-N 434.566 0.123 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539983002 UFOFUCCIKYKIQA-KBPBESRZSA-N 434.588 0.325 30 10 ICEE CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1564118846 WOPCQYAQPRCVPT-GOSISDBHSA-N 427.509 0.620 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588044920 CSKJSXVFTNYPQN-SFHVURJKSA-N 440.529 0.968 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2COCCO2)n1 1588724225 VSZOMFUFDXHWJS-PKOBYXMFSA-N 430.509 0.680 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)CC1 1588811335 GWAREXAXTSZYLE-GOSISDBHSA-N 429.546 0.992 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1595602930 UXKWAQZOYDNKMV-HNNXBMFYSA-N 447.540 0.979 30 10 ICEE COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1624067147 GKOWHWSPHDYPII-FUHWJXTLSA-N 435.502 0.892 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1627517296 DDPONDQIFNQGJG-RHSMWYFYSA-N 444.517 0.380 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)s1 1631900421 YEYDLNJJVXPVKL-INIZCTEOSA-N 440.591 0.696 30 10 ICEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1640585714 YMFYAOQQZSQMRI-AWEZNQCLSA-N 428.507 0.782 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 1644285651 UVMZGTUEBIJIFK-UHFFFAOYSA-N 427.939 0.872 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1646146888 CFAYXSQTIJOJNH-UHFFFAOYSA-N 443.261 0.707 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 1671857491 HDSFGDBKJBHFSP-QYZOEREBSA-N 436.534 0.406 30 10 ICEE C#C[C@@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1684778109 MNXCMRZFXTVCRP-MRXNPFEDSA-N 437.518 0.901 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1686140220 LSQVOAMRLYXZTQ-INIZCTEOSA-N 443.570 0.571 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689977848 FFVQSBWVQVOJSO-INIZCTEOSA-N 437.566 0.956 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705551939 SWBDDIQPRBNTDS-KRWDZBQOSA-N 436.559 0.843 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705902849 KZCRBLFOSMMLMR-GDBMZVCRSA-N 430.513 0.659 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1705930350 LIPTWBDSDLOHIO-KBPBESRZSA-N 435.572 0.104 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1711222068 OXZNSXUHQLXGBY-INIZCTEOSA-N 445.549 0.717 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1722297096 XOZXQCXLTXISLF-BBWFWOEESA-N 447.565 0.843 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)CN(C)C2=O)c1 1722310128 SVMCYDUYWDNWPS-SBUREZEXSA-N 449.515 0.764 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1722701983 IMVIFJHMNDNQNI-UHFFFAOYSA-N 435.554 0.455 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1723660800 HQTBOFKEZYONFW-OAHLLOKOSA-N 445.549 0.811 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1730804217 IFURRJLBXVSSPX-UHFFFAOYSA-N 449.519 0.973 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1740554344 XXXVEWJRSUDYGC-RDJZCZTQSA-N 425.555 0.886 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1748671631 LZOKSYMWAFSHFH-WMLDXEAASA-N 434.522 0.521 30 10 ICEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748800597 YHALBMDWBMMHKR-UHFFFAOYSA-N 429.502 0.738 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748825255 WYVXZOOOPBBRMO-XHSDSOJGSA-N 426.539 0.400 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1761551279 KTVFJIGNFPKQOQ-INIZCTEOSA-N 428.518 0.966 30 10 ICEE CCOC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1765935403 AUDOSDGVZZDQHZ-HUUCEWRRSA-N 426.543 0.966 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2=O)CC1=O 1853822247 JZNNEJFGABCVHQ-ZDUSSCGKSA-N 439.465 0.228 30 10 ICEE N#Cc1cccc(C(=O)Nc2nc(N3CCC(CO)CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1869980377 VHJTZZBPAOTPJC-QGZVFWFLSA-N 444.517 0.970 30 10 ICEE CC1(C)OB(c2cccc(N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)n2)OC1(C)C 2266741410 AIIDKPNKVFJTNR-NEPJUHHUSA-N 442.247 0.740 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267580336 FOITYYLWQPVICL-CQSZACIVSA-N 448.329 0.830 30 10 ICEE C=CCOC[C@@H](O)Cn1c(NN=Cc2cccc(OC)c2)nc2c1c(O)nc(=O)n2C 2318436446 LXGSYTLLYZOKHP-AWEZNQCLSA-N 428.449 0.854 30 10 ICEE CC(C)N(C[C@@H]1CCCCN1C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089057 OLBJCNUHHUXGNN-ZWKOTPCHSA-N 448.373 0.725 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 546736016 DJGKLRUXWYHHAO-ZDUSSCGKSA-N 440.547 0.298 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 603989563 FDTRWLUMYSFXPG-KRWDZBQOSA-N 437.521 0.805 30 10 ICEE CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 609146856 KREHJZOJNVXVDM-UHFFFAOYSA-N 435.550 0.688 30 10 ICEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619710084 CHEKIDHGMMTZLV-CABCVRRESA-N 436.538 0.973 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 728535088 YEIWOHQDXPRCSU-UHFFFAOYSA-N 426.498 0.242 30 10 ICEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)cn1 730144272 IXLSJYXNZXFMAU-HNNXBMFYSA-N 436.538 0.226 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 742289883 GVAGZNPMFVTIDA-UHFFFAOYSA-N 445.295 0.413 30 10 ICEE CCc1c(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 754348950 XNRJCRGCFVTVQX-GTJPDFRWSA-N 429.477 0.794 30 10 ICEE Cn1c(=O)n(C)c2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c(O)cc21 812382741 ODHBQKRTEXXHPF-UHFFFAOYSA-N 429.458 0.650 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1 816749214 IRPWGXFBJIJBLA-KXBFYZLASA-N 430.482 0.821 30 10 ICEE N#C[C@@H](C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)c1nc2ccccc2s1 917096863 GKURLCRCLYFLDW-HNNXBMFYSA-N 449.558 0.667 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)CC(F)(F)F)ccc1F 1130861817 LSIBULXQUPXINF-UHFFFAOYSA-N 432.417 0.997 30 10 ICEE C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CCOCC1 1167413473 GNJPPXUYHXNSIT-IBGZPJMESA-N 435.546 0.992 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)CC1 1175515021 OCDFGJUBRBEQSU-UHFFFAOYSA-N 439.501 0.349 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@H](O)CC3(C#N)CCC3)C2)CC1 1191978845 YNOSQTOGKQGSTH-MRXNPFEDSA-N 442.582 0.998 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)c1 1286308658 BVPIGDMQKRJVCW-SFHVURJKSA-N 449.515 0.812 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1286787679 ILSQNZBOBWQHAA-INIZCTEOSA-N 442.586 0.784 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCS2(=O)=O)C1 1286799731 ZHWULKQJICUVMK-HNNXBMFYSA-N 426.543 0.233 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300733030 HAUCOPUBGALWNM-QLFBSQMISA-N 440.595 0.312 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)C1 1301556200 GHKZFFUNRQFKNE-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(N)=O)CCCC2)CC1 1359039936 BFJBRVOEBUFHBS-UHFFFAOYSA-N 443.552 0.428 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn(C3COC3)nn2)CC1 1359173873 QOMMPFLFRYPNAB-CYBMUJFWSA-N 436.542 0.502 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359300498 DBFMBEROHQRBSV-MRXNPFEDSA-N 442.524 0.600 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1359300549 FHHUZYICGLNLGK-PBHICJAKSA-N 426.477 0.760 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1360301163 MEGAFPUFOKARPS-QGZVFWFLSA-N 440.508 0.389 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]1CS(=O)(=O)C2 1439616510 RRGOUGBMJPBSEP-KHIZAZIESA-N 439.287 0.927 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)cc1 1457227514 PYOWWUFWEZBBRB-ZWKOTPCHSA-N 429.502 0.696 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1507645502 CVJSOCOBTQUYOD-UHFFFAOYSA-N 448.527 0.953 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1521101883 KQVHVGRMZIEGIG-BPQIPLTHSA-N 426.477 0.580 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1539459470 HKIWDXVXHMWUTL-QGZVFWFLSA-N 434.566 0.123 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1540902168 BZGBZTOUQWAEJO-HZPDHXFCSA-N 441.554 0.460 30 10 ICEE CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1541115700 DBYOMTGQVKYFTG-CABCVRRESA-N 441.558 0.122 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 1556316438 AMYJZXODAZKXFP-TZMCWYRMSA-N 435.593 0.589 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1558806013 APXCZRRMLLUNDJ-XOBRGWDASA-N 433.465 0.618 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1589068951 GGNITSBYEHMQQU-MRXNPFEDSA-N 447.590 0.663 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593746495 GRXTXEBKULGBEM-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595405293 HPYBFVDVSUWESA-INIZCTEOSA-N 440.570 0.538 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1612881076 LKXNIWIUIAYIFR-MRXNPFEDSA-N 428.493 0.795 30 10 ICEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(=O)(=O)CC 1616915739 DWHWQUGCQUKMII-UHFFFAOYSA-N 447.565 0.952 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)CC1 1674843593 UOBFBIJHCYTFBB-UHFFFAOYSA-N 434.478 0.128 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1689990827 SHBQYHREDIDPET-HZPDHXFCSA-N 442.563 0.010 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1690527291 MRIFNFGBROLKJF-OAHLLOKOSA-N 430.600 0.282 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705567340 WWMFXVAPXSGYEF-QAETUUGQSA-N 435.550 0.529 30 10 ICEE Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707790505 AMWMFXVSMANTOA-GDBMZVCRSA-N 436.542 0.412 30 10 ICEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722320473 ZJRAPMTUDHUCMN-GOSISDBHSA-N 428.537 0.857 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1722360708 JAIMGXAKLPNEPE-QGZVFWFLSA-N 449.558 0.568 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1722367562 WMQOJABXEVUOPT-KRWDZBQOSA-N 440.533 0.560 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)CC1 1722445968 HKGKOHWVXIKFGJ-GOSISDBHSA-N 439.564 0.970 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1730994311 CLDWPPTWEUNXLK-IRXDYDNUSA-N 447.517 0.883 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC1 1740706469 YSEDWHSHIGWLOG-INIZCTEOSA-N 437.566 0.307 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCOCC2)CC1 1740818614 PARQHEHJLOFPBO-CQSZACIVSA-N 426.543 0.327 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740957298 JBYRGOJPXPZIQK-HNNXBMFYSA-N 435.554 0.683 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1742712307 ARKZEYIOBMTNNE-SJORKVTESA-N 448.553 0.293 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1744050646 LDKLYCSSFBSYCN-QGZVFWFLSA-N 429.522 0.578 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1748293241 DQMLYJRPJDVNEY-QGZVFWFLSA-N 445.549 0.671 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748803384 YDFKRPCKJPVXDA-JXFKEZNVSA-N 437.566 0.858 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)CC1 1749014051 DAZGYGFMDBSWPY-AEFFLSMTSA-N 449.577 0.573 30 10 ICEE C=CCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749439618 FCFWOJVABHIBFV-IERDGZPVSA-N 432.525 0.432 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1749953853 LXGRDAXJHNYTCN-PBHICJAKSA-N 445.517 0.384 30 10 ICEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1751306786 SKXPSTQVOLBTEY-KUHUBIRLSA-N 432.506 0.804 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)CC1 1760254333 UZRNMXMPKAZILE-QGZVFWFLSA-N 438.598 0.993 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1 2247880160 BSFLHEBNSBZWTC-UHFFFAOYSA-N 442.347 0.617 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCN2C1=O 2255602820 XTHPNOKCZNWVJR-CABCVRRESA-N 433.314 0.958 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255873975 IMUVAJHNASOBBJ-UHFFFAOYSA-N 437.306 0.138 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2258273056 CVKNIIMRMKMOPR-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE N#Cc1cc(NC[C@@H]2CN3CCN2CC3)cc(NC[C@H]2CN3CCN2CC3)c1[N+](=O)[O-] 301793393 SCGXUVNWHLBQDX-MOPGFXCFSA-N 426.525 0.290 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430375884 FDNOPQXNEJJDMD-UHFFFAOYSA-N 449.533 0.380 30 10 ICEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3ncccc3C#N)CC1)C2 510504756 VJLVOOUYLVKGSG-OALUTQOASA-N 425.537 0.868 30 10 ICEE N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 731233865 RSJIXLMDACXDNF-UHFFFAOYSA-N 446.279 0.267 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 735922934 MOFGOONVBGIGTI-UHFFFAOYSA-N 446.451 0.633 30 10 ICEE Cc1nc(CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 736154045 VCHOYJJDYWFJPL-UHFFFAOYSA-N 431.522 0.276 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758068292 JSLJBACBAMFZTF-UHFFFAOYSA-N 437.477 0.104 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 767681021 PKJJTGGUTOKNPQ-BBRMVZONSA-N 431.474 0.616 30 10 ICEE C[C@H](CC(=O)OC[C@H]1CCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 801274353 JMXXXPTWTQNLDN-OLZOCXBDSA-N 429.520 0.328 30 10 ICEE C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808655723 WPDBTOBZDQTYEZ-OAHLLOKOSA-N 439.534 0.869 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1 1198765537 DYIRPCUYNUJNEN-UHFFFAOYSA-N 435.550 0.178 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1286386530 CEPNVYDZBBUJCB-KRWDZBQOSA-N 426.506 0.649 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286393324 DLCDRLCHPMZXTR-KZNAEPCWSA-N 449.577 0.578 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cn(C3COC3)nn2)CC1 1286486857 QHMUVDCIWCCFNW-OAHLLOKOSA-N 426.525 0.969 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cnnn2)CC1 1286489216 JZUMLQHZDONARY-UHFFFAOYSA-N 449.519 0.996 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300483754 LSYJQNCTGRRWLJ-OAHLLOKOSA-N 445.611 0.530 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301724111 CZYXULMFTDCJRO-FQEVSTJZSA-N 444.517 0.035 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1307651207 ZWEFMBKFCPATHF-UHFFFAOYSA-N 440.869 0.883 30 10 ICEE C#CC1(O)CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1307962871 XGPBRIBCHLQCEP-KRWDZBQOSA-N 435.546 0.803 30 10 ICEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1309998999 PQLKLVWJPMKIJO-HUUCEWRRSA-N 429.520 0.312 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1358963749 NPVZCDBRRBTRIN-IAGOWNOFSA-N 433.538 0.481 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359028208 KQBFXVZFJICHBI-MRXNPFEDSA-N 436.582 0.386 30 10 ICEE C[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1360840973 BZNPWJHBAVINAL-QGTPRVQTSA-N 442.517 0.622 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 1471451101 NFRJQUBUPYPGEP-HUUCEWRRSA-N 444.554 0.359 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507638946 HZMDAKUZUVVHGA-HZPDHXFCSA-N 437.591 0.780 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1507800794 YEQLSAQYSQDMTQ-ULQDDVLXSA-N 441.554 0.429 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1539266814 SNPXIXQDYPKJFA-QRVBRYPASA-N 449.577 0.889 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CCNS(=O)(=O)c2ccccc2)CC1 1539463141 VENXPZIEIWUKPB-UHFFFAOYSA-N 432.550 0.548 30 10 ICEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540854763 BXKNACXPHLJFLX-UHFFFAOYSA-N 440.504 0.647 30 10 ICEE COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1555381571 ONYPGWFYZSZTRU-XEZPLFJOSA-N 438.510 0.641 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(I)c(O)c2)CC1 1565590303 WHSBQFGZHJQUOI-UHFFFAOYSA-N 442.257 0.289 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 1567743961 SEHCEQQJPLKNTQ-HXUWFJFHSA-N 447.538 0.936 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1586620758 BIUNIQJIAGFLMC-STQMWFEESA-N 425.935 0.799 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587990258 USVSDGHNLYYBHP-WOJBJXKFSA-N 443.573 0.865 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1617486604 HRKUCGFVWHXPLE-IEZWGBDMSA-N 437.543 0.545 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 1625364221 WIVXJPNVNLLMEG-JKSUJKDBSA-N 441.550 0.399 30 10 ICEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc21 1648790795 VFHDMKHCDKKTRV-QFIPXVFZSA-N 437.456 0.279 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1690102025 AHIVCYYDEAQPCC-MRXNPFEDSA-N 426.539 0.198 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC)CC1 1690111602 GABIQJNIDIKGIZ-INIZCTEOSA-N 432.550 0.700 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1690300618 GULRPSUQIXWLHH-HUUCEWRRSA-N 428.559 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690678306 ROXJMNXOQJYTID-ZOBUZTSGSA-N 441.554 0.318 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)C1 1690710308 QKKFCMDCIUSZGO-INIZCTEOSA-N 425.493 0.724 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705905916 LNALMHYSAGXUOL-MRXNPFEDSA-N 443.533 0.442 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705937113 JBAMMBRRAYSHLI-FQEVSTJZSA-N 430.534 0.581 30 10 ICEE CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1709447447 ALXOMLXESDUSJN-LPHOPBHVSA-N 440.570 0.902 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)CC1 1722431951 QVHWHZFOEMIGSM-INIZCTEOSA-N 432.550 0.700 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H]3CCCCS3(=O)=O)CC2)c1C#N 1725861420 HOEWPBCFIIAVDE-INIZCTEOSA-N 432.554 0.794 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740589951 DFMTUKNTFLWQEO-XOBRGWDASA-N 448.549 0.408 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740620040 BOQMUEKNZPUSSG-CQSZACIVSA-N 429.481 0.888 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)n2)CC1 1740693452 YNECGTKQWQSEEX-QFIPXVFZSA-N 442.568 0.835 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1740723536 QGKLUAJILVVZNG-LJQANCHMSA-N 435.550 0.446 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1740941173 DJIDLGJWQLBGFM-GFCCVEGCSA-N 427.449 0.812 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748752307 UZKPJVPXPJVTPD-JKSUJKDBSA-N 443.595 0.359 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748803059 UUGJRHOPRWOTGV-UZLBHIALSA-N 437.566 0.548 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1748971679 YRGSMFCAJFNSRH-LJQANCHMSA-N 431.585 0.408 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1749212914 BAQUPVNBFCLAKE-MRXNPFEDSA-N 443.570 0.867 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749659855 KMUJIYWWRDNWJV-KRWDZBQOSA-N 444.492 0.216 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749664068 FUMJXYBVBUYSTE-UHFFFAOYSA-N 440.552 0.633 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255594004 AHXWKSFYJTZPGJ-CYBMUJFWSA-N 436.318 0.763 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)n1 2267107893 RGPHOJOJLJUSLL-QGZVFWFLSA-N 440.357 0.318 30 10 ICEE C#CCCN(CCOC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270514004 JCEIZMNXZXFMNK-KRWDZBQOSA-N 426.491 0.756 30 10 ICEE C=CC[C@@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270534521 OYXYNXDPIUUQEV-VQIMIIECSA-N 428.507 0.949 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)OCO3)c1=O 254381621 XZYAKMMELXXFBY-UHFFFAOYSA-N 427.482 0.480 30 10 ICEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(F)c1 477132583 KCEMPIQFGSJEGZ-UHFFFAOYSA-N 439.494 0.975 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@@H]1CCCO1 522647998 QBWKILFIKNKLQU-INIZCTEOSA-N 445.516 0.802 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 576124013 DPOHTTJQEBTZMG-HOTGVXAUSA-N 438.554 0.388 30 10 ICEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc(O)c(OC)c2)nc2c1c(O)nc(=O)n2C 606631188 WWSQFLBNKHWCBR-FCQRQVBFSA-N 444.448 0.559 30 10 ICEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1 782888459 XXTPTDYWRXCIQS-HNNXBMFYSA-N 430.538 0.718 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 810648246 ZEBIWKZZHRMBBT-LBPRGKRZSA-N 438.449 0.633 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)CC1 1286485230 XZBQXKODHHGRFV-HXUWFJFHSA-N 430.534 0.176 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286824028 SOZQEFGZEPXBCW-STQMWFEESA-N 437.613 0.431 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1286831453 GAHLJCGLNCHZPJ-LSDHHAIUSA-N 431.584 0.755 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300497488 ZAZVDNZUZYTKQI-DLBZAZTESA-N 435.550 0.673 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1300972703 PBPDZDDFSATOEC-GJZGRUSLSA-N 438.558 0.951 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CCO1 1316540611 MVKHBAYJFGSKII-CVEARBPZSA-N 431.522 0.806 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC2)CC1 1359039913 APSHZRYXUATWSU-UHFFFAOYSA-N 427.553 0.576 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359117330 UTGTWEDAKMEATJ-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359298346 WKVMSWKPYJYEGC-UHFFFAOYSA-N 447.503 0.463 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)C1 1456028454 WXYJVZFBRMDXGD-HNNXBMFYSA-N 442.335 0.765 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)c1 1457227279 OGKOABHDCUWYML-ZWKOTPCHSA-N 429.502 0.696 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 1464371324 UTTPXKPTGZIZBN-UHFFFAOYSA-N 441.510 0.094 30 10 ICEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1466194866 XSRJSSUUEIKVKY-GHTZIAJQSA-N 445.545 0.753 30 10 ICEE C[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCN(c2ccccc2)CC1 1467640549 GWUYUIAVWOSNPS-INIZCTEOSA-N 425.493 0.330 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c(=O)nc1O 1470360103 CHQMWVYLNVISDZ-HXUWFJFHSA-N 429.408 0.688 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1507616697 MFJYHFXOKGNURI-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1507657583 UGDLYZPCCXBXAA-UHFFFAOYSA-N 433.560 0.804 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1507992780 IYOQIPHADPGKIQ-DNVCBOLYSA-N 438.554 0.244 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1)C1CC1 1507993533 RRFQDBGOVORMHU-MRXNPFEDSA-N 436.542 0.448 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1508148596 VIQNGOMBVVXRDV-DOXZYTNZSA-N 441.554 0.305 30 10 ICEE CC(C)N(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1510216414 BEUZKILYNBTFTP-CVEARBPZSA-N 427.575 0.736 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1515293519 BJRFQKLZPLRQJJ-UHFFFAOYSA-N 432.492 0.807 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1539222832 XIJDBWYUYHGXDP-IRXDYDNUSA-N 435.550 0.673 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(N)=O)c1 1539239502 LZNBFKKMQLONGG-OAHLLOKOSA-N 428.518 0.303 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)s1 1557811587 FWINPSYDKJRICC-CYBMUJFWSA-N 435.593 0.543 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 1626148344 JUWRYRQWMKJGRT-GJZGRUSLSA-N 425.482 0.200 30 10 ICEE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(C(=O)NO)cc2)CCS(=O)(=O)CC1 1626243018 YUSLMWLUOVGTHV-UHFFFAOYSA-N 426.491 0.959 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1632960380 GEFUFSYLGGEMKV-HOTGVXAUSA-N 428.555 0.682 30 10 ICEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N 1635104298 LHJLVZRUWYYPFS-OAHLLOKOSA-N 438.278 0.770 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)s1 1636336447 NOGHTAVMCDBYLU-SGTLLEGYSA-N 440.547 0.734 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(I)ccc2N)CC1 1643372504 OKSCIRBMUTVWBQ-UHFFFAOYSA-N 448.286 0.099 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)CC1 1644285134 JBKMRCWCNYXXOW-GVDBMIGSSA-N 438.347 0.947 30 10 ICEE NC(=O)CC[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)c2ccccc2C1=O 1648005403 QDHBCIGQOJFRHG-KRWDZBQOSA-N 425.441 0.781 30 10 ICEE CNC(=O)CCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1649676547 PRFPYUXEGLKNSA-UTKZUKDTSA-N 431.541 0.631 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1649678456 KJSKAKKNJZSTDT-ZJYNUGOYSA-N 445.524 0.661 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1680177656 CMDLAZYGRITXJN-OAHLLOKOSA-N 429.543 0.181 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1681598144 OPYSHOQYXQYJLU-LJQANCHMSA-N 429.569 0.506 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNS(C)(=O)=O)CC1 1690397020 SRUSXUOZZKEWIM-ZDUSSCGKSA-N 434.588 0.230 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1694737697 FOURJKZAZUVUQV-INIZCTEOSA-N 444.565 0.715 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1698313729 NOGPNRKGSXUUMA-VGWMRTNUSA-N 442.517 0.478 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1705674145 AQTRUMVIGQSDME-AUUYWEPGSA-N 431.522 0.325 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705899286 OAEXXPVXLPGZOG-HNNXBMFYSA-N 447.517 0.642 30 10 ICEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722336269 JMAWOASAKKBWBF-UHFFFAOYSA-N 437.483 0.757 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1722364382 GGFJUSSWYFWPBJ-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1722453019 NBUSCWCARHZTDX-UHFFFAOYSA-N 443.533 0.763 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740698279 CSURKBKQAUNUMF-WOJBJXKFSA-N 443.596 0.655 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740801454 ALPSDTUNCHJFPL-UONOGXRCSA-N 446.961 0.468 30 10 ICEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740815127 ORPGEZMFGHQZLA-AWEZNQCLSA-N 446.895 0.765 30 10 ICEE CCN1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1746411496 GITRSXMMJIBRCH-BRWVUGGUSA-N 439.586 0.834 30 10 ICEE CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1747417221 DRCOEXQUNUDTLT-YOEHRIQHSA-N 429.568 0.745 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)NCC=C)c1 1748689896 JOFPRGJBFHXUBA-UHFFFAOYSA-N 437.504 0.775 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749650229 NZZIPAKMDUFBSR-UHFFFAOYSA-N 449.519 0.410 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749669484 IFCNFSLYHVRJAM-QZTJIDSGSA-N 445.568 0.217 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1749721628 POLRBYAXCYSSHC-UHFFFAOYSA-N 439.538 0.504 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1760190906 WHVQSIVNYUTKJA-INIZCTEOSA-N 443.508 0.812 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191398 GSBHDPVUVPXUCF-DLBZAZTESA-N 435.550 0.454 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1760495878 YZGGEPHSOFLMRY-LPHOPBHVSA-N 441.554 0.595 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760522843 ZOPVZWWZUBQGQP-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE COCCCn1c(C(=O)NCC#CCN2CCOCC2)cc2c(=O)n3ccccc3nc21 1889587532 INGRQIAUKTUPJO-UHFFFAOYSA-N 437.500 0.751 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248405876 UHQJEVHVZCRKKB-UHFFFAOYSA-N 440.331 0.570 30 10 ICEE CC1(C)OB(c2cnc(OCCCC3CCN(C(=O)[C@@H](O)CO)CC3)nc2)OC1(C)C 204889105 YDSOHRNMQGAITG-KRWDZBQOSA-N 435.330 0.527 30 10 ICEE COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COC(C)C)cc1 254696850 FILKNUNAEOSVDB-OAHLLOKOSA-N 444.492 0.674 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 480437347 KLBXDMWABSGMLG-NVXWUHKLSA-N 434.518 0.322 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)cc1 505693765 HYBMZEGKTICWTP-UHFFFAOYSA-N 441.488 0.346 30 10 ICEE CSc1nc(O)c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1C#N 524197852 WYFCDLSYBKUKIY-UHFFFAOYSA-N 427.490 0.639 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 603797805 HTWRTHYGDMWAON-CQSZACIVSA-N 433.555 0.724 30 10 ICEE C#CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 742572884 IOWOHMZWMHAWJR-ZDUSSCGKSA-N 430.504 0.338 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 803845466 HEQMDTYUUHEDHG-UHFFFAOYSA-N 430.442 0.770 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)cc1 816691248 NYAZVAGWTANHRA-INIZCTEOSA-N 439.490 0.370 30 10 ICEE C#CCCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1136499211 OURBUIQSIJIMAI-KURKYZTESA-N 439.578 0.824 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286391047 BROXDLLYWWWUEC-HNNXBMFYSA-N 431.584 0.043 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC=C 1286401572 SDOLMAUDLZCFPF-UHFFFAOYSA-N 439.545 0.922 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)CC1 1286481236 UCZPYWQNYHEGCV-OALUTQOASA-N 434.610 0.667 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1286546575 JWXHTJHOEMXCJJ-ZNMIVQPWSA-N 449.599 0.350 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1301567616 KNUYYGJLJWCXMA-JKSUJKDBSA-N 426.539 0.851 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1316567068 FRKRQJBEUACJJO-FMQUCBEESA-N 443.508 0.136 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359221727 LSKVKYKVRPIUDV-UHFFFAOYSA-N 449.556 0.583 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC)C1CC1 1359251108 CIGOLZIWOJWILV-HNNXBMFYSA-N 436.542 0.426 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1359305108 SXAZJGWXNRJMNJ-UHFFFAOYSA-N 446.483 0.593 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 1471451458 SXYYDKPJDMEYJC-UHFFFAOYSA-N 429.951 0.868 30 10 ICEE CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1501901043 BLPIJQPWSDEOPX-FMQUCBEESA-N 444.540 0.103 30 10 ICEE C#CCN(c1nnc(COCC)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507636528 AEFMPZUHOPZYHH-QZXCRCNTSA-N 430.596 0.989 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507637237 IXMFXDVZDXVASX-KRWDZBQOSA-N 439.582 0.552 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nncn2C)CC1 1507740101 IQGMNTGYOHFWNG-UHFFFAOYSA-N 436.524 0.282 30 10 ICEE C#C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1528154003 UIZPSXLDIGGDSW-SJORKVTESA-N 433.530 0.931 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539205771 KJPXKMFWYKKKGJ-OXQOHEQNSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539206880 WLBFQRANJUHXKT-WBVHZDCISA-N 436.538 0.411 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539430744 NAXRWKKAKKZYCV-DLBZAZTESA-N 425.555 0.192 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC 1539557063 KWNLLJQJZGMDBJ-GZJQFRAZSA-N 443.595 0.372 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1540864653 HGSIGDQJQXMIKE-MRXNPFEDSA-N 448.549 0.723 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1552888698 ZMFNZMYVOBWFDR-QGZVFWFLSA-N 439.473 0.339 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1556504083 JTRXHDUMFMWWGJ-ROUUACIJSA-N 449.596 0.106 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1556704219 XEELQOGATOTUEK-INIZCTEOSA-N 439.559 0.643 30 10 ICEE N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)c(=O)nc1O 1569209251 GYTKWGKHYCIFBF-JTQLQIEISA-N 439.241 0.690 30 10 ICEE C#CCN(c1nnc(COCC)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588074975 VBODKNCHSGWVNY-HNNXBMFYSA-N 441.554 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C)s2)CC1 1588884971 QEKVCXOQCBFJKG-UHFFFAOYSA-N 442.549 0.688 30 10 ICEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1593741857 YZRQPTVAMYHYHI-UHFFFAOYSA-N 429.529 0.864 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1595467434 UGTNUUAOWAWUPZ-KRWDZBQOSA-N 442.524 0.611 30 10 ICEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1618108023 AOZYPCFFKKCYTA-FKQWUUPDSA-N 443.508 0.618 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)s1 1623817947 ZECXOVJOVJLCJL-AWEZNQCLSA-N 449.620 0.885 30 10 ICEE N#CCN1CCC(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1627909843 KGNFHUFTYCSVIP-UHFFFAOYSA-N 426.564 0.859 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 1644285698 XENBBGXKVCERLH-UHFFFAOYSA-N 427.836 0.476 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 1644380339 GTSHYEJYOKYELI-BPUTZDHNSA-N 437.518 0.929 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1653072615 HPVAYSGCOFZYMS-KYNGSXCRSA-N 427.523 0.535 30 10 ICEE COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1653217686 KGOPJBLERUNZQD-HNNXBMFYSA-N 428.507 0.436 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1689930019 JLYPDFXVLDNDTH-KRWDZBQOSA-N 433.538 0.493 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689994465 YVZPBLMBOXEGLO-OXQOHEQNSA-N 435.550 0.188 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)C(C)=O)CC1 1690659370 QSOOOUJOGRFBAP-UHFFFAOYSA-N 433.557 0.946 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 1705648145 OPUBTCJGFMFYOM-ZWKOTPCHSA-N 449.577 0.715 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2OC)C1 1705914747 FDKGWPAOKRZKIG-MWDXBVQZSA-N 443.570 0.721 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N2CCOCC2)C1 1705916205 ITDNTGGXWZVPGT-UTKZUKDTSA-N 435.525 0.570 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1705937281 OZENTPKFKOCSIX-UHFFFAOYSA-N 433.538 0.326 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722433559 ZYQVOUBGGJBXQQ-MBSDFSHPSA-N 444.580 0.989 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1722865258 ZDOVCIZKIBFSNA-BASYENTBSA-N 426.543 0.822 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(F)(F)C3)n2Cc2ccc(C#N)o2)C1 1731015672 UANCZZOLMPXXTL-CQSZACIVSA-N 442.448 0.969 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1740591401 OWJYHWGSSCTJIZ-GOSISDBHSA-N 436.582 0.556 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1740625018 LWYPCKCXUAHMHI-UTKZUKDTSA-N 442.545 0.369 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626757 YSLUXKYCMUWDLO-SFHVURJKSA-N 429.546 0.778 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1740941767 SBCARBBNEFIEQX-HNNXBMFYSA-N 429.543 0.165 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740946580 BJGVEWJCQPQJJQ-HOTGVXAUSA-N 426.543 0.102 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965981 USZYSMBLNZOQOK-IIBYNOLFSA-N 434.541 0.583 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740985069 AXXIZHCPUGPIRP-HNNXBMFYSA-N 435.554 0.745 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749726892 IKINFEUNZMOVMJ-INIZCTEOSA-N 446.533 0.768 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1760186378 MPIJNOCKIBXYHM-SFHVURJKSA-N 443.508 0.926 30 10 ICEE CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1761329272 HPSQUJKZZIKYCW-HUUCEWRRSA-N 444.583 0.481 30 10 ICEE C=CCC1C(=O)NC(=NC(=O)c2cc(I)cnc2OC)NC1=O 1851879278 GKFFAXKIJSPUEZ-UHFFFAOYSA-N 428.186 0.629 30 10 ICEE Cc1nn(C)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626926 LZAURTDCTGRTPC-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE Cc1ncc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1C#N 489003146 CDMNCTLPFYANOB-KRWDZBQOSA-N 442.563 0.162 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 508823131 BUESNRBCFAZLDP-KRWDZBQOSA-N 435.554 0.915 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 514916503 VWXNFHCRHDJYNE-UHFFFAOYSA-N 446.598 0.579 30 10 ICEE Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540277802 QOJBOZSRZKXVEA-UHFFFAOYSA-N 443.485 0.037 30 10 ICEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549666823 GADVIPLQBCEHNQ-UHFFFAOYSA-N 435.554 0.559 30 10 ICEE CN(C)C[C@@]1(O)CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 590338342 YEHUPGVTLYSIOU-NRFANRHFSA-N 434.562 0.874 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)CC1 793413120 FNMPCZPZZWXHKJ-DYESRHJHSA-N 428.537 0.003 30 10 ICEE C#CCN(CC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 1140254877 RSOBYAZXAYAYDM-UHFFFAOYSA-N 430.523 0.826 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286399150 ZTWVCFFMGXMUDU-FGTMMUONSA-N 438.550 0.952 30 10 ICEE CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293581264 AFBCSGITRXFECI-ORQRPPJRSA-N 429.481 0.371 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1299211565 DASLISOZWOYHBG-ZPHPHTNESA-N 426.481 0.382 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300485664 XZOXQPOSSMXUGV-HOTGVXAUSA-N 428.580 0.996 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1302291839 HKJQUSXIESRDBP-UGSOOPFHSA-N 441.492 0.625 30 10 ICEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)nn1 1351464809 UTIXYDDURFKLCA-UHFFFAOYSA-N 433.490 0.788 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1358978030 BSZIKNVNOTUVTC-INIZCTEOSA-N 429.502 0.714 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359291490 RYQWEQLOMGOUJM-UHFFFAOYSA-N 439.524 0.241 30 10 ICEE C[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1360840974 BZNPWJHBAVINAL-ZTFGCOKTSA-N 442.517 0.622 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 1455114568 DZQCJZOISJLXOW-UHFFFAOYSA-N 441.509 0.908 30 10 ICEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1471024723 YEFMYNUKKRAQGX-HXUWFJFHSA-N 437.518 0.932 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1503725510 MTYFROJFTDGSMX-HXUWFJFHSA-N 445.549 0.718 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1507544277 ZLERNEQYODECHS-MRXNPFEDSA-N 430.534 0.837 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1507713420 JMJHNHFYEUQEQG-UHFFFAOYSA-N 446.533 0.214 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1508144584 VCMZXCQBLXBRLM-MRXNPFEDSA-N 435.554 0.442 30 10 ICEE N#CCNC(=O)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1525371967 ACWNXPYSUJEVLU-UKRRQHHQSA-N 442.335 0.798 30 10 ICEE CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1564118847 WOPCQYAQPRCVPT-SFHVURJKSA-N 427.509 0.620 30 10 ICEE C#C[C@@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1583611736 FPQZUWCFINJBMC-CQSZACIVSA-N 443.319 0.944 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595804910 IBRIBXMYIRQSIQ-AEFFLSMTSA-N 438.598 0.430 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCN1CCCC1 1611711534 PQUIZLJXAOWCOO-IAGOWNOFSA-N 439.586 0.883 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1626967020 ZKTMULALQBVRSU-LJQANCHMSA-N 442.516 0.952 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(N)=O)[C@H](c2ccccc2)C1 1629991063 FIMVDWGAAIFQOD-MDASCCDHSA-N 426.498 0.953 30 10 ICEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1638803734 KNMOCCLXRAGQCC-INIZCTEOSA-N 449.577 0.864 30 10 ICEE N#Cc1cn(C2CN(C(=O)NCCc3ccc(OCC(F)(F)F)nc3)C2)c(=O)nc1O 1680379431 NOQONIUWNYLGOA-UHFFFAOYSA-N 438.366 0.966 30 10 ICEE Cn1ccn2c(CCNC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2c1=O 1684164082 MYSJEIIUDVLPJV-UHFFFAOYSA-N 434.504 0.760 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1689930063 KELYHVIWQJGFNV-DLBZAZTESA-N 425.555 0.887 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1692542142 DEXIPQHPUVVPQF-LSDHHAIUSA-N 441.483 0.501 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705524739 RNLMIYSRQMFWSZ-INIZCTEOSA-N 442.549 0.895 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1705629173 YTTFOLCUBFCIAM-IAGOWNOFSA-N 441.554 0.124 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705734330 LDNPVMNLPFEPTP-UHFFFAOYSA-N 425.497 0.858 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705903431 VYRLXXGGHICYHS-INIZCTEOSA-N 430.513 0.488 30 10 ICEE Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707790507 AMWMFXVSMANTOA-HOCLYGCPSA-N 436.542 0.412 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CN(C)C2=O)c1 1722310132 SVMCYDUYWDNWPS-UZUQRXQVSA-N 449.515 0.764 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722492453 SOLSEVREOGEOAV-SJLPKXTDSA-N 429.529 0.718 30 10 ICEE CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1729342218 DCHGEKQRPLOXKD-UHFFFAOYSA-N 432.510 0.557 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740959687 CQRBMKZJNKETCE-DLBZAZTESA-N 447.565 0.829 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740992184 CJTHBJSIQJPJLR-MSOLQXFVSA-N 444.561 0.827 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1740996476 NKDSEAHEZNCZGL-CYBMUJFWSA-N 430.600 0.912 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1748838009 UKFQZHQZHRXWNI-UHFFFAOYSA-N 429.502 0.728 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749730426 DONPBTMNBVBDDD-GDBMZVCRSA-N 431.522 0.583 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)CCOC1 1750059836 CJSQIHAZMRKHQH-CRAIPNDOSA-N 428.559 0.806 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1760225070 GTPMXFMDPDGCML-INIZCTEOSA-N 447.565 0.628 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760366052 PBZISORIKBLILJ-VHDGCEQUSA-N 432.978 0.798 30 10 ICEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)COCCO1 1761567885 OSPASTXKWNAHRL-FQEVSTJZSA-N 446.533 0.704 30 10 ICEE CCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766789399 IAMWGLWXZNBRPX-QFPXGYFVSA-N 448.549 0.943 30 10 ICEE COC1CCN(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)CC1 1857035271 ZWJXXSWRNBJRKZ-INIZCTEOSA-N 426.539 0.038 30 10 ICEE O=C(COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)N[C@@H](CO)C(=O)O 2297471876 BSQKICGEPMFKJH-AWEZNQCLSA-N 427.365 0.972 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2315611581 PQZSHCNUTUUDMG-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE O=C(O)CC/C(=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 33711929 FWBZWXUKNAJGFQ-SFQUDFHCSA-N 430.395 0.333 30 10 ICEE CS(=O)(=O)c1cccnc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426366681 SGHVQDMFBLJRMJ-MRXNPFEDSA-N 427.486 0.957 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)CC1 522309394 LNZRHZQPHIYTIB-UHFFFAOYSA-N 429.569 0.353 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 541286480 KKIAPTKYASFAOD-UHFFFAOYSA-N 441.538 0.758 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 590915167 OWUMPJCOKIMPDX-AWEZNQCLSA-N 434.543 0.119 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 603798826 OHZVSTGWWYQWBN-KRWDZBQOSA-N 445.516 0.884 30 10 ICEE CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 619852469 NWZWRKUTPFSXAZ-GOSISDBHSA-N 445.549 0.924 30 10 ICEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 727010766 LNHQYTLIOXXFLC-UHFFFAOYSA-N 440.481 0.877 30 10 ICEE Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c(=O)n2C 728347770 JGVYYTUWRKTHQR-KRWDZBQOSA-N 436.472 0.908 30 10 ICEE C[C@H](CC(=O)NCC(C)(C)N1CCS(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742669221 IIOUHCZULOAHOM-CQSZACIVSA-N 440.591 0.463 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286383658 YOLAKFFUMLEDHC-BZSNNMDCSA-N 449.577 0.956 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C(C)=O)CC2)CC1 1286481315 CWZJTQCSBQJZSF-UHFFFAOYSA-N 436.564 0.183 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286496543 TXOLHJXCDDSNTK-AWEZNQCLSA-N 426.506 0.506 30 10 ICEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286504742 SQWGHCXYYALXPC-UHFFFAOYSA-N 441.561 0.880 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1300273471 QNPHGMAAQKQAQW-CVEARBPZSA-N 447.565 0.626 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1300431887 NUTDIYSMBUXCRI-HXUWFJFHSA-N 433.534 0.956 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 1300496362 QDLPLBRFRCYAFR-SFHVURJKSA-N 435.594 0.968 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1300516274 KXPPLEIPCMAFPQ-OAQYLSRUSA-N 425.514 0.900 30 10 ICEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316044146 XWWJWHNHQJLRCA-MRXNPFEDSA-N 427.513 0.506 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358955706 RIWNDYRPFHNQDF-HZPDHXFCSA-N 446.533 0.977 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CCC)C2)CC1 1359044765 OEMTYCRKRJLUTR-HKUYNNGSSA-N 441.580 0.927 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1359299958 QJXNCQUPFLOHDG-ZDUSSCGKSA-N 429.447 0.606 30 10 ICEE COC1(OC)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1O 1452106549 ATAOBLPTSAEDLN-RDJZCZTQSA-N 439.534 0.722 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 1477646824 LJJGARNFGSQGIM-OAHLLOKOSA-N 441.504 0.586 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1516225016 KUBGUEAUHGELMF-JXFKEZNVSA-N 430.465 0.394 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1=O 1519222561 GIZSVMFKCFKONI-UHFFFAOYSA-N 440.504 0.939 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1539222336 VNJCICMDWDHGDK-DOTOQJQBSA-N 443.533 0.197 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1539222435 WARLTTXPFBLNER-VSZNYVQBSA-N 438.550 0.339 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1540863326 UEYQBEOEQWPHKF-KFWWJZLASA-N 426.543 0.196 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCCS3(=O)=O)C2)C1 1542437315 VSXVXCLAVCKMAL-HVEKOLDVSA-N 426.539 0.925 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1587562016 JXKUNGLYDDHFFE-JKSUJKDBSA-N 447.565 0.626 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 1588198985 DGYVAKVGNROIIV-UHFFFAOYSA-N 440.319 0.837 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1669968621 GAHCKHAXYMTAMT-UHFFFAOYSA-N 445.586 0.865 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689990129 LZBXBLSQRDOBDS-ROUUACIJSA-N 443.529 0.556 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)CC1 1690112416 XKYQEEAZBYYJTC-CABCVRRESA-N 444.652 0.492 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1697925954 FDSPYQJULOLVFS-QFIPXVFZSA-N 442.520 0.899 30 10 ICEE CN(Cc1ccccn1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1711098280 ARUBNMPWDWMBGJ-UDJKBAMHSA-N 436.476 0.787 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1722394601 YAXXBXUCQDEMFW-UHFFFAOYSA-N 438.513 0.700 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722527525 MDTRYTVXCSFHDH-UHFFFAOYSA-N 449.556 0.182 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740626574 VUMIVGNCLJSKQB-RXVVDRJESA-N 447.561 0.678 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)OC)CC1 1740697471 FTIAJIFWLBHBOL-KRWDZBQOSA-N 446.577 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(N)=O)nc2)CC1 1740710101 RHEWRTWZSORZOC-GOSISDBHSA-N 437.504 0.638 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740958900 WQRROZDDEQOWGK-QZTJIDSGSA-N 440.504 0.816 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1745893711 AWBSKCNNAKUWII-UHFFFAOYSA-N 425.493 0.876 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1748819764 TVJMWVXGSISHPS-KRWDZBQOSA-N 440.533 0.550 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2)CC1 1748977158 DCQQGHSPNIENHU-SFHVURJKSA-N 437.614 0.520 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1749549554 VZNPBICJICJOQP-QAPCUYQASA-N 448.549 0.996 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CCN1C1CC1 1750388701 RHHGQROSTMNIJX-HIFRSBDPSA-N 444.508 0.986 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760189594 VLWPGIJRRBYOLL-HZPDHXFCSA-N 431.522 0.143 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N(C)C 1760211169 CPWYAWNRXKPUGL-HXUWFJFHSA-N 437.566 0.673 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1760288405 BGCWREBUZZIGMY-VQIMIIECSA-N 438.598 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1760556661 LIYIJWBXSGNPFW-UHFFFAOYSA-N 443.533 0.396 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1n[nH]c(C)n1 1770042951 DRKCEFUGRGVNIY-RHSMWYFYSA-N 429.529 0.848 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1=O 1771135647 FEFWARRFCGRVHN-UHFFFAOYSA-N 439.520 0.980 30 10 ICEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870355317 RNLDWAITBXRKPD-UHFFFAOYSA-N 441.532 0.629 30 10 ICEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN(CCO)CCO)cc1=O 1870561217 DJVCWWYOMXFRBX-OAQYLSRUSA-N 429.517 0.655 30 10 ICEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243701874 IKGVGBUUHZSWGN-SNVBAGLBSA-N 428.320 0.331 30 10 ICEE CN(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2247952058 LZNFBVOSPSAHTE-UHFFFAOYSA-N 445.351 0.260 30 10 ICEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 506891309 NXJZXOZHPXPFCN-HZPDHXFCSA-N 432.506 0.865 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 524495834 WPASHQGPXUGFOO-SFHVURJKSA-N 433.553 0.936 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 561341364 JBYPBECVENFQNB-ZFWWWQNUSA-N 428.536 0.155 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(=O)N(C)C 684099703 XVUGIBHTKCNOSP-UHFFFAOYSA-N 449.536 0.912 30 10 ICEE CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn3ccccc23)c1=O 729671709 WEINSGHOKALYSR-AWEZNQCLSA-N 425.514 0.622 30 10 ICEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 731213480 DKZTVUIZGFXVAU-AWEZNQCLSA-N 447.966 0.651 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCN1CCOCC1 731232885 MFMXVNZRVDSOAY-UHFFFAOYSA-N 446.536 0.513 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cn1 732565131 XXURPIPMFHXNQE-UHFFFAOYSA-N 434.543 0.043 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCOCC)c2=O)cn1 735069569 WJTLZLMCCGNPCZ-UHFFFAOYSA-N 431.562 0.971 30 10 ICEE CSc1cc2c(cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)OCCO2 737304656 BJOXFWSOSXBYKH-MSUUIHNZSA-N 432.458 0.761 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)n1 789322766 QOZJKPQCZYLSMH-UHFFFAOYSA-N 439.925 0.904 30 10 ICEE C#CCN1CCN(C(=O)CN[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)CC1 797523564 OXMLQOZGEDTQSG-OAQYLSRUSA-N 435.546 0.235 30 10 ICEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C)[C@H]1CCS(=O)(=O)C1 809875408 LKLPZUNQIFMRES-AWEZNQCLSA-N 426.502 0.839 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 813813568 XMNAOGARXWMWPF-HOTGVXAUSA-N 427.521 0.963 30 10 ICEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)C2)c(F)c1 1154231380 GAGZHVHVDMQKMU-HNNXBMFYSA-N 432.481 0.780 30 10 ICEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc12 1156669627 FLLXGYDBCCHOLA-PZROIBLQSA-N 435.531 0.458 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnn(Cc3ccc(F)cc3)c2CC)CC1 1217786759 XVBXSAOLRSBXRN-UHFFFAOYSA-N 449.512 0.645 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286391728 FSFVIEPEGAVDJJ-MSOLQXFVSA-N 447.565 0.908 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1286788523 XZSBRAPHNLHYEF-NRXISQOPSA-N 444.533 0.098 30 10 ICEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1298047068 HGYXKFJRERLWED-CRAIPNDOSA-N 440.545 0.733 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1299138636 YKJPFKPEIBOBHT-SJORKVTESA-N 437.504 0.683 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1300496448 RKNNMKPDDIIBDO-XWTMOSNGSA-N 438.550 0.460 30 10 ICEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1302168690 GXRDWWBKFWOBSP-SFHVURJKSA-N 448.549 0.950 30 10 ICEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1302426720 CORXSXMZHWUREV-UHFFFAOYSA-N 444.517 0.632 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1303474266 GVLZCXKXFULKPI-FQEVSTJZSA-N 433.465 0.449 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1 1310132073 ZASRFJVATCVEJX-FXAWDEMLSA-N 438.550 0.840 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1358978389 LIIMZUYNXRBMLM-OAHLLOKOSA-N 430.534 0.606 30 10 ICEE C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1448497264 RBHZFGYZKCVSGV-VFNWGFHPSA-N 433.461 0.631 30 10 ICEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1470936852 UYTBWIUGNYKAFC-IRFCIJBXSA-N 431.562 0.382 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)C1CCOCC1 1479008776 DUPVCCAZVCGZKV-ZACQAIPSSA-N 441.550 0.843 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1505136506 BEQIIIGNFHFFRI-KDOFPFPSSA-N 439.517 0.124 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1507630941 AGTJAXGHJPHTAN-MRXNPFEDSA-N 443.595 0.502 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)ccc1F 1538205299 AZTNLUCXEFLNOF-UHFFFAOYSA-N 441.528 0.077 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1539369338 JVXSVOCAFWDIDX-CQSZACIVSA-N 437.526 0.259 30 10 ICEE COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555398416 OEYOWJSILHQHNZ-KEYYUXOJSA-N 435.506 0.933 30 10 ICEE CCOC(=O)[C@@]1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1558007270 MBNSXBZQNDRUFE-IIBYNOLFSA-N 428.445 0.944 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(c3ncnn3C)CC2)s1 1558182234 HSHRROWTVYAGSP-UHFFFAOYSA-N 425.536 0.394 30 10 ICEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1568812673 GIUQCVYPXVFRJE-CZUORRHYSA-N 431.518 0.396 30 10 ICEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 1632328464 HOGVRILQICFYFJ-UHFFFAOYSA-N 430.461 0.919 30 10 ICEE C#CCN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818561 SIEYSEOBAGSYTG-OAHLLOKOSA-N 432.481 0.861 30 10 ICEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643117995 GRAJEOUZVMZBMW-INIZCTEOSA-N 432.424 0.785 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)s1 1652293135 QHYWMYLNKJXMIM-UHFFFAOYSA-N 448.526 0.944 30 10 ICEE N#Cc1cn(CCNC(=O)N[C@H]2COc3cccc(Br)c3C2)c(=O)nc1O 1675514882 RWTBVDPKCHMIDF-LLVKDONJSA-N 434.250 0.886 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689991698 BETJXPYDRILRQL-CYBMUJFWSA-N 435.472 0.782 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1690094059 RDIOBHQGWDEEDX-UHFFFAOYSA-N 443.899 0.519 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690288432 YMRGHQAADWBDBW-INIZCTEOSA-N 445.549 0.577 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C1 1690710894 YMZUBFCIUMXFGT-KRWDZBQOSA-N 445.549 0.847 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O 1705700212 QFFVDVBTENMAJT-AIANPOQGSA-N 425.555 0.862 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1722359036 ICFOLCPUTMXAOP-GOSISDBHSA-N 436.501 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722728679 AIPXEXRZDYHYKD-INIZCTEOSA-N 432.506 0.506 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1740685486 GVYCEQGCKIILBD-QGZVFWFLSA-N 431.518 0.413 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740700989 PYUBQOJECWGLMF-HAGHYFMRSA-N 433.553 0.809 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C(=O)NC 1740752312 VODZXCFRMUXCRT-FPCVCCKLSA-N 442.586 0.688 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748817637 NJDYYYSXWFHPIX-LSDHHAIUSA-N 446.620 0.560 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1748988799 BNFVIUIIPBQTHJ-IRXDYDNUSA-N 436.582 0.240 30 10 ICEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cs1 1751774087 ZFLKEQQPUCTBKC-SFHVURJKSA-N 436.563 0.923 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1760205498 CGFHZMHYNDMICT-QZTJIDSGSA-N 441.561 0.656 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760270153 SJOPZXYXHZJJHO-MSOLQXFVSA-N 449.577 0.715 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760547133 DXNMUUJPSOVPJW-IRXDYDNUSA-N 436.582 0.788 30 10 ICEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1=O 1765474376 KHDKJFGGKXADSK-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769383151 XRDBEMSLZAXDEL-MOPGFXCFSA-N 440.570 0.998 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C3CC4(C3)CC(F)(F)C4)C(=O)C2)C1 1856835046 IRRBXRFILSMMHM-AWEZNQCLSA-N 430.477 0.410 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)n(C)c1=O 1891335738 DSFHCHIQWGBQBY-OAHLLOKOSA-N 437.460 0.018 30 10 ICEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676676 MBPAPFOUNJCEFS-NSHDSACASA-N 427.332 0.944 30 10 ICEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247881242 USMKCSUNESVXSM-LBPRGKRZSA-N 444.363 0.911 30 10 ICEE CC#CCN(CC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2300542149 KXHKOIBFMBPAIQ-YQQAZPJKSA-N 441.525 0.704 30 10 ICEE CC#CCN(CC(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2300544141 KXHKOIBFMBPAIQ-INMHGKMJSA-N 441.525 0.704 30 10 ICEE C=CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)CC1 22013829 SHWWNCQEVLNJEH-IBGZPJMESA-N 431.493 0.371 30 10 ICEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@H]1NCCNC1=O 100020554 NVJREIJMGYSWCD-MSOLQXFVSA-N 438.569 0.866 30 10 ICEE CCCn1c(=O)/c(=C/c2ccsc2)s/c1=C(\C#N)C(=O)NCCN1CCOCC1 102963192 KBVJJFSGMLDABM-LJXPKCHNSA-N 432.571 0.333 30 10 ICEE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCC(=O)ON1C(=O)CCC1=O 165196538 OUSUWQYKZFQMST-PEBVRCNWSA-N 426.495 0.216 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 480433652 CPFACUHJBRBTBR-NVXWUHKLSA-N 434.518 0.322 30 10 ICEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 522494374 MJDNQWVYWSCHAS-UHFFFAOYSA-N 445.476 0.893 30 10 ICEE CC1(Cn2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)COC1 544713387 JYHHMZGXZQPMHI-UHFFFAOYSA-N 430.490 0.333 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccccc2)c1=O 573789726 KELJNIYDWMEAGD-UHFFFAOYSA-N 437.525 0.771 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C1CC1 590998769 ZAUXEUSYWORHST-UHFFFAOYSA-N 439.493 0.830 30 10 ICEE Cc1ccc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1S(=O)(=O)NCC#N 610066942 PQEXCTFCEJWRNM-UHFFFAOYSA-N 443.533 0.615 30 10 ICEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cn1 728860871 XNNXYWXBLYSBLA-UHFFFAOYSA-N 447.538 0.922 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)CCN1C1CC1 732651973 LMZLLBJJSUIJDE-VQTJNVASSA-N 433.516 0.706 30 10 ICEE N#CCOc1ccc(Cl)cc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 735308952 ZOJMADAGROHEOS-MRXNPFEDSA-N 447.966 0.877 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758050140 NYVSAALMRXWGHM-UHFFFAOYSA-N 432.509 0.399 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1 770416968 KYVRDJNCRFAXRL-UHFFFAOYSA-N 428.533 0.346 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 816693100 BVJOEIDEHKYXBA-BXUZGUMPSA-N 446.323 0.956 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CC1 849520795 ABGIKIPBPLUAFZ-RTWAWAEBSA-N 428.581 0.518 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1144027895 RIBYVQVLJUMTPO-GOSISDBHSA-N 430.509 0.485 30 10 ICEE CC(C)(C)OC(=O)CN1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1184152295 HCXUPKXEXUTQNI-UHFFFAOYSA-N 436.534 0.759 30 10 ICEE C#CCN(C(=O)NCc1nnc2c(=O)n(C)ccn12)C1CCN(C(=O)OC(C)(C)C)CC1 1246103304 GUNZXMGWXPUNND-UHFFFAOYSA-N 443.508 0.972 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286398837 QURGZTUBMHKTPN-QZWWFDLISA-N 426.539 0.664 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1300309291 GPDNVYMINLGXLV-GJZGRUSLSA-N 440.570 0.374 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1300455626 MXQLFCCLAQNTNX-UHFFFAOYSA-N 443.533 0.589 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4c(=O)[nH]ccn34)CC2=O)cc1Cl 1303587617 GJCBHIGCRZEROL-GFCCVEGCSA-N 425.836 0.654 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1359133062 KVVVWNDMBDCGQC-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1464747037 GXCPISVHJBCXEI-IRXDYDNUSA-N 428.942 0.672 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1503833080 CFXMMAZRUUNJER-CQSZACIVSA-N 436.494 0.240 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630332 XAUICMJRRIAAAZ-RZQQEMMASA-N 433.534 0.450 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507668731 BUCVNTNLBNNZRQ-HXUWFJFHSA-N 448.527 0.898 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1507670864 DHFIJGAIGHDNQN-SFHVURJKSA-N 442.501 0.587 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508084418 BCIRXENZPSFPQQ-LSDHHAIUSA-N 447.540 0.882 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(=O)C2CC2)CC1 1508148420 HFQBSOHIVFPIJI-UHFFFAOYSA-N 425.555 0.864 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN(CCOc2ccccc2)CC1)c1cc[nH]n1 1538617294 MAEFBEQVBPCODT-UHFFFAOYSA-N 429.477 0.917 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1539416607 QCRHGEGXQISJCG-OAHLLOKOSA-N 425.511 0.109 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NC(C)C)CC2)c1C#N 1543001904 HHLUAYFYUINIKU-MRXNPFEDSA-N 441.540 0.547 30 10 ICEE COc1ccc(Br)c([C@@H](CO)N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)c1 1569347426 BRQMYBFYWMJLTM-CQSZACIVSA-N 437.250 0.784 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1587988916 DRTVBBRFSBUURI-KRWDZBQOSA-N 429.506 0.376 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1595466694 LVFRPQNVDGIBSV-UHFFFAOYSA-N 442.524 0.155 30 10 ICEE Cc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612579929 RNZFMSDOHWOJHP-OSCRUYLVSA-N 427.509 0.856 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1613594153 CJKOSMUTJGELCU-WMZOPIPTSA-N 433.557 0.894 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1689979390 AEQIKDLABVIKTG-ILXRZTDVSA-N 436.538 0.407 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690677404 WEEBUWSSWCNLBU-UHFFFAOYSA-N 431.497 0.812 30 10 ICEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705533202 VMBOWXBHIDRJFC-GOSISDBHSA-N 428.537 0.857 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705930311 KRSWONZBIFYESB-AWEZNQCLSA-N 447.521 0.193 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1708197338 FJXBXTCHIMMNAU-YHCMSDNUSA-N 431.522 0.697 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1=O 1712485536 BUDQXJGDTRVYBG-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cc[nH]n2)CC1 1722445680 AMBZBSLTDOGSBJ-UHFFFAOYSA-N 449.519 0.403 30 10 ICEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740591175 QJVLPCIJWGLAAM-MRXNPFEDSA-N 442.524 0.400 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740635362 NGLMTEUKYGMRNL-NRFANRHFSA-N 444.513 0.585 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCOC)C1 1740982394 UBAMMNVWYQETDT-GPMSIDNRSA-N 428.555 0.749 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1740992286 OFWGQRTZPXGFDY-MRXNPFEDSA-N 425.555 0.687 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748805520 TUWBPJYVBHQDSN-ZFWWWQNUSA-N 441.535 0.156 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC=C 1760227004 RAEWXFDQIXUUCP-UHFFFAOYSA-N 430.534 0.957 30 10 ICEE N#CCCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)C1 1856019231 RBAWHOFPBBWVBL-GFCCVEGCSA-N 427.387 0.202 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1903066792 KSFMJSAJZOFPNV-ZDUSSCGKSA-N 428.486 0.206 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 492394517 IBPWESHVCRERCS-UHFFFAOYSA-N 448.589 0.850 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 505908506 YGUGALONCSBFGM-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508888094 MJKDXLFYTMPRDS-HNNXBMFYSA-N 436.586 0.747 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 515650650 IMOHAKWOGBZHDL-HNNXBMFYSA-N 439.493 0.599 30 10 ICEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549279687 KOFBPACDTGBJHF-UHFFFAOYSA-N 447.565 0.924 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732708969 XERJXJQOOYIUPY-QGZVFWFLSA-N 433.534 0.853 30 10 ICEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cn1 732797558 RJSWFURCAJBEON-UHFFFAOYSA-N 448.570 0.604 30 10 ICEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1 761270118 GYICTJZCJXMGKN-OAHLLOKOSA-N 428.536 0.818 30 10 ICEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 800783297 SEJUREJMMFKSLO-MRXNPFEDSA-N 439.476 0.038 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)C1=O 856635708 CMSSLJLFELZAAD-KRWDZBQOSA-N 429.477 0.490 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)[C@H]1CCS(=O)(=O)C1 918754772 FXAQMRVTFPERJM-HNNXBMFYSA-N 428.532 0.644 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H]3CCCN(O)C3=O)CS(=O)(=O)[C@H]2C1 1141462968 ATZBHRCMIFIPNO-MQYQWHSLSA-N 431.511 0.153 30 10 ICEE C#CCN1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1155873962 SBAVERAEVYIRIB-UHFFFAOYSA-N 434.562 0.661 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286391241 DCWKTWLSGXNGNS-OAHLLOKOSA-N 445.611 0.433 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1286487138 DFQYQDMLADRLFJ-RTBURBONSA-N 448.593 0.757 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286509503 RNYCLHUXKSYVNU-HUUCEWRRSA-N 448.636 0.806 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286787009 AIWLKEMQWLYJSS-MRXNPFEDSA-N 431.541 0.811 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1288524567 FIXGEZCKUWQFTD-CRAIPNDOSA-N 448.549 0.890 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1300494986 AXWUKKDIIXVGDH-QZTJIDSGSA-N 439.582 0.725 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(CC)S(C)(=O)=O)CC1 1300700723 UZCUJTJLUFTRJF-SFHVURJKSA-N 438.598 0.947 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(C)(=O)=O)CC1 1300730917 GTRNZNCYKBUXCN-UHFFFAOYSA-N 447.565 0.150 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1301326642 DVWNROZPKFWHBP-AWEZNQCLSA-N 444.579 0.275 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301499591 CJYXHYLTYFTOIZ-HZPDHXFCSA-N 438.554 0.089 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301518061 DCQBEOTVERXKSZ-MDOVXXIYSA-N 435.481 0.735 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301596715 WWBWUNLRRFLFNC-UHFFFAOYSA-N 435.598 0.644 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CCS(=O)CC1 1303095856 JUEICSWCYCGIBD-VHEBQXMUSA-N 441.517 0.359 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 1304189612 OXTDEBNDRLPPID-UHFFFAOYSA-N 443.533 0.758 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1359301251 VNWKFOMFTRSGPB-KRWDZBQOSA-N 448.549 0.550 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCC2)C1 1359326761 JBBCOWHDGUINTF-CQSZACIVSA-N 431.584 0.870 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503734192 QNBNYRDRJUZNJM-XJUSKDBGSA-N 443.508 0.271 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1507536416 BZCVQSBFSGMYOU-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C(C)=O)CC1 1507659296 ZNFGMRSGNGGBDI-UHFFFAOYSA-N 441.580 0.824 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1507699818 LBUPDEFTKHDWEF-CQSZACIVSA-N 436.513 0.755 30 10 ICEE CN(CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)c1ccc(F)cc1 1539118447 MSLBSUOHSKIOKR-KBXCAEBGSA-N 443.522 0.623 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1539177673 ATPKMIHIFUOLSL-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1539200492 IWTQYOPUJCCDFZ-IAGOWNOFSA-N 437.566 0.956 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554409526 YLNPIQFGJYGNDR-NSLQVXERSA-N 443.508 0.618 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)c1 1559903137 QZSIDHMIYXXMPL-INIZCTEOSA-N 435.502 0.757 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 1585381317 MFYROBHKIVFEED-GOSISDBHSA-N 449.573 0.783 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1588723754 PGOFXCCDUYPRQS-UHFFFAOYSA-N 449.559 0.928 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O 1589215457 ALZSVXAIIKDDNV-QFBILLFUSA-N 438.554 0.129 30 10 ICEE CSCC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)c2ccccc2C1=O 1626656227 VGXKAMLRNJUMJA-OWZDWXTDSA-N 447.538 0.801 30 10 ICEE Cn1nc2c(c1C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CS(=O)(=O)CC2 1626695396 VIDSJWFAHPTHJW-QGZVFWFLSA-N 427.486 0.294 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN([C@@H]4CCOC4=O)CC3)C2=O)cc1 1631262524 VXHGSHMUNWITNS-ZWKOTPCHSA-N 439.472 0.659 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 1632960921 RCDYLWDRXXCRHN-UHFFFAOYSA-N 431.493 0.726 30 10 ICEE CCOC(=O)c1cn(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1634500194 WZGVTTQIHXVULF-UHFFFAOYSA-N 433.490 0.695 30 10 ICEE N#C[C@@]12CN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C[C@H]1CS(=O)(=O)C2 1683195946 USYCOOGDLYRIAW-LIRRHRJNSA-N 440.472 0.881 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690309802 KUSBURMIUNPVBQ-YCRPNKLZSA-N 445.524 0.636 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CCN1S(C)(=O)=O 1731150605 RNSRHSRVPGRBPW-INIZCTEOSA-N 448.549 0.686 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596717 KIBNHVMCTTYJGW-JOCHJYFZSA-N 430.553 0.744 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1740605194 OQEXSFUYMQLNPN-QGZVFWFLSA-N 426.506 0.958 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1748278161 FNNGXDSYMHKBHK-UHFFFAOYSA-N 427.465 0.753 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)CC1 1748972636 MGNHKUSFRSWLQW-IRXDYDNUSA-N 435.598 0.128 30 10 ICEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749082596 CGSLDBFZSKFEPJ-UHFFFAOYSA-N 447.359 0.504 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O 1749137364 XVMHFLIUAUWRRJ-CRAIPNDOSA-N 425.555 0.863 30 10 ICEE COCC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749248044 OWMGLTLWALLITB-ZZEZOPTASA-N 443.508 0.367 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1760096819 UYHIKDMFPUGLJZ-CYBMUJFWSA-N 438.941 0.869 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1760163092 LMWQWORSIIWVCK-AWEZNQCLSA-N 432.506 0.963 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC2CCCC2)CC1 1760254127 OOCFNGHHGVSFAT-QGZVFWFLSA-N 438.598 0.993 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760523187 OXKQUDGYQLMNMK-KRWDZBQOSA-N 425.497 0.775 30 10 ICEE N#Cc1cccc(NC(=O)COc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c1 1865838219 VLNYDCDNRZXEHR-OAHLLOKOSA-N 432.392 0.977 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401450 JBQLPMNOHOBSDS-GHMZBOCLSA-N 440.331 0.568 30 10 ICEE Cn1c(=O)c2c(nc(N/N=C/c3cccnc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 33415045 LKKLQQXHMNUWET-SOAGAIGUSA-N 449.471 0.715 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 523668754 KNVBSEYJCOKRSP-UHFFFAOYSA-N 447.314 0.425 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1C[C@H]1CCCO1 527277615 JYQTUKIZCQTLJF-QGZVFWFLSA-N 449.536 0.832 30 10 ICEE COc1cc(OC)c2ncc(C#N)c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2c1 567057629 TUHWIRYWXYRTPI-UHFFFAOYSA-N 447.517 0.823 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 737305015 DSZQZZFLKATZDR-ORIGZDJFSA-N 446.435 0.965 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1Cl 1130149338 HKAOEELPGUOAMV-AUUYWEPGSA-N 437.905 0.981 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NCCN3CCOCC3)CC2=O)cc1Cl 1136627256 BRHFPBNWWFUKDG-HNNXBMFYSA-N 433.896 0.129 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 1137371307 KNHFNCXBNVRXJY-UHFFFAOYSA-N 443.323 0.702 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 1222481528 MSYKQENSCCKFBU-GOSISDBHSA-N 433.534 0.285 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCNS(C)(=O)=O)c1 1286311168 KPVOIKCLZBWUKU-MRXNPFEDSA-N 446.533 0.387 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1286396009 CGOVZZSLKIHWLY-MRXNPFEDSA-N 425.518 0.966 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286409081 IBOAMCQJNKDZFC-GBESFXJTSA-N 447.561 0.665 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1286492780 IVBDWCJGDPTXSD-GOSISDBHSA-N 449.577 0.573 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286820409 LBKRVZQYDWWLMH-DLBZAZTESA-N 425.555 0.687 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1286820578 NPBPVQVOTHLNQE-XJKSGUPXSA-N 431.515 0.223 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc[nH]n1 1293982983 ZGKSHABRGRHDAN-NRFANRHFSA-N 429.477 0.447 30 10 ICEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300416892 KTAIPXXELQJEBP-UHFFFAOYSA-N 425.522 0.679 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1300578740 OCIWATVZRKLZLE-IBGZPJMESA-N 442.545 0.712 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nncn2-c2ccccc2)CC1 1300681642 WIEDCBHAKRZSDD-UHFFFAOYSA-N 433.520 0.801 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303034006 BEHYZLWGCKVCJG-SLNYWTKHSA-N 449.515 0.901 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 1313170943 LVYZTYVEUWSLTK-FQEVSTJZSA-N 433.578 0.836 30 10 ICEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1337696315 XKMJWEMRGFNKBH-DOTOQJQBSA-N 430.548 0.572 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1359150851 HXXMEJPKKKNNLJ-CHWSQXEVSA-N 433.918 0.363 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359303362 LLUMWTGKNXXGOP-KRWDZBQOSA-N 428.493 0.153 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359334743 PJDQEWJWNUIAKT-HXUWFJFHSA-N 449.581 0.703 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1359342696 CTWTYGYKNJDXTD-MRXNPFEDSA-N 445.611 0.739 30 10 ICEE CN1CC(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc21 1441011795 ORXVDRUCFQHKDE-UHFFFAOYSA-N 440.485 0.488 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1459461531 DCCWCXKJZKCEKR-UHFFFAOYSA-N 433.468 0.818 30 10 ICEE CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Cl 1463162982 JJYNBHQCIMDHNN-BLLLJJGKSA-N 431.923 0.601 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505334761 DGXZIXQJGLVLHQ-UDJKBAMHSA-N 427.509 0.849 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508159423 NPRSFLUOFVKSBQ-UONOGXRCSA-N 428.584 0.666 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1516021758 BFVHZNRCABQKNO-KRWDZBQOSA-N 445.549 0.813 30 10 ICEE C#CCN(C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)[C@@H]1CCS(=O)(=O)C1 1530297901 QEAHHYMFTOTKQK-GFCCVEGCSA-N 427.385 0.682 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539220032 GYNUMOHMNNPMID-PFRQMTDMSA-N 438.550 0.339 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cn2)CC1 1539488703 NQOMYCGUBNFVDZ-UHFFFAOYSA-N 439.495 0.949 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540897555 MDRWMOKDCUJJPL-AWEZNQCLSA-N 442.542 0.294 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1540899350 LDJNKQRJUWOACT-UHFFFAOYSA-N 437.547 0.898 30 10 ICEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 1558103122 QZJGRVKMLVZKNN-UHFFFAOYSA-N 433.530 0.530 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595467360 SGDDXCNSHMFHSD-CQSZACIVSA-N 435.529 0.822 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595477406 UMDIGWUWSTUKTI-ZIAGYGMSSA-N 428.559 0.442 30 10 ICEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1613342273 GTEDKIXUPFPMON-CABCVRRESA-N 428.584 0.899 30 10 ICEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OCC 1643589399 KNTCMVKPSAXNKU-DOMZBBRYSA-N 443.909 0.877 30 10 ICEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)CC#N)CC2)C1=O 1645713368 JTMSMCVXBPHFID-OAQYLSRUSA-N 426.477 0.019 30 10 ICEE CCOC(=O)CS[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(F)(F)F 1687402751 WHEABXSXLQMEDG-COPLHBTASA-N 443.469 0.793 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(C)CN(C)C2=O)CC1 1690138097 RWNPJVIJQAPVCX-OPAMFIHVSA-N 446.552 0.446 30 10 ICEE C#CCSCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690186992 YHXOZNPGDLZPAO-YLJYHZDGSA-N 437.566 0.638 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1690190009 IYAJVEUSQPCBER-RVKKMQEKSA-N 443.595 0.705 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705680846 IKYOWONTSNZJLN-TUAOUCFPSA-N 447.359 0.512 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705903567 YFRFSHYAPKJWJF-DOTOQJQBSA-N 445.524 0.589 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909468 XXXQTOUAZFKCSP-RTWAWAEBSA-N 435.525 0.617 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1722428962 MAIRJZNLLJQSHR-ZDUSSCGKSA-N 428.465 0.906 30 10 ICEE C[C@@H]1N(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1726762992 VFFJFKQNRVYRNI-OTSFIGDKSA-N 443.508 0.759 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1729308287 PGZRTUNXLHSNLD-FUHWJXTLSA-N 437.504 0.922 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740622582 DUPTWGJLRWLHIT-IRXDYDNUSA-N 428.518 0.494 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740622851 JSFWMOXVGZZBBM-ABSDTBQOSA-N 440.566 0.934 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1747441081 BFBWCJPSSMUXHB-HXUWFJFHSA-N 443.533 0.472 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1747971363 ACZYTUZCWHTUPO-UHFFFAOYSA-N 447.565 0.477 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748817897 SENVVRZDWUQIOO-LSDHHAIUSA-N 449.499 0.730 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749671185 ZNOCAHRFMOXFIR-DLBZAZTESA-N 445.568 0.263 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750009531 VHIDUKDISCSTBG-OWCLPIDISA-N 442.542 0.012 30 10 ICEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1750217463 AVEBJWBMVRJNKN-NGFNCXNUSA-N 429.506 0.955 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 1760148816 NHMJRSOJLQTJRA-UHFFFAOYSA-N 435.492 0.629 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1760155053 OQOXSTLHAXANPQ-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760555587 IKSARKXEWBIQDK-HZPDHXFCSA-N 438.554 0.329 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1769338424 DFNNIPFMFYXYBQ-INIZCTEOSA-N 438.492 0.421 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)C(C)C)CC3)OC2=O)CC1=O 1855149437 NCHDBAMIQSFGAX-HZPDHXFCSA-N 427.523 0.819 30 10 ICEE COCCCn1c(C(=O)N2CCC(C#CCN(C)C)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1890192747 CCWLYLKOQURHIR-UHFFFAOYSA-N 443.548 0.492 30 10 ICEE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@H]3CCCN(CCO)C3)nc2)OC1(C)C 204882046 VLRQQJIZBSBSTI-OAHLLOKOSA-N 425.360 0.644 30 10 ICEE N#CC1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCN(Cc2ccccc2)CC1 482695214 QEEICDFRAFBZKP-RTBURBONSA-N 444.557 0.697 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 492335738 ILKWHZDGTQTUNC-UHFFFAOYSA-N 426.564 0.593 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 549272280 BYEUSLQJLPLITK-MRXNPFEDSA-N 440.570 0.492 30 10 ICEE CN(C)C[C@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 558897998 GATOGFTVVVIWRS-FQEVSTJZSA-N 447.517 0.535 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C[C@H]1CCCO1 609613692 NWEVXONNPXYMTF-CYBMUJFWSA-N 449.330 0.495 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671353 HFHMUAPTIKUNIS-MRXNPFEDSA-N 435.509 0.542 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1[C@@]1(C)NC(=O)NC1=O 732668827 AFPQPPQFWLCHNS-BFUOFWGJSA-N 433.490 0.111 30 10 ICEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2nnnn2C)c1 771536276 DSXLNUJLPGIPIA-MRXNPFEDSA-N 444.565 0.761 30 10 ICEE C#CCN(C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774173167 UGURBMLZOAYGQW-INIZCTEOSA-N 437.518 0.494 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)n1 788695432 NINAPTPNAMNROX-UHFFFAOYSA-N 444.510 0.864 30 10 ICEE COc1ccc(O)c(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)c1 1084214055 WMOZKWHBKWRURN-UHFFFAOYSA-N 443.449 0.390 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1F 1157885884 WHSPFUCUAVJBAH-YVEFUNNKSA-N 428.463 0.199 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1179653461 YYDFPBXQBLBTHC-QABNGEJJSA-N 427.523 0.846 30 10 ICEE C#CC1(O)CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1213161861 KLKQKQDYLMVTBA-UHFFFAOYSA-N 428.532 0.165 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286398835 QURGZTUBMHKTPN-NXOAAHMSSA-N 426.539 0.664 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1286430883 KGCGYKVTMPZEHC-SFHVURJKSA-N 427.530 0.699 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286491477 SZFCOEGRIIDWDN-SBUREZEXSA-N 438.532 0.770 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1300493809 WBPGRIXKIOGRHO-KGLIPLIRSA-N 425.580 0.998 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCOCC1 1300780287 OUTXXIBSTKWVMY-FXAWDEMLSA-N 438.598 0.993 30 10 ICEE N#Cc1ccc(C2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)nc1 1301183375 WERMQUMKDRYPCD-INIZCTEOSA-N 429.502 0.825 30 10 ICEE C#CCN1CCN(C(=O)CN2C(=O)N[C@H](c3cc(Br)ccc3OC)C2=O)CC1 1307307554 CGYNODHWCCQVIX-QGZVFWFLSA-N 449.305 0.828 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCCS1(=O)=O 1316280707 GKCFAQRJCGRTDK-IRXDYDNUSA-N 438.554 0.778 30 10 ICEE C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1316483118 DSENZJAKWUDLAY-RJNPEMNYSA-N 443.508 0.134 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1359025561 SIEOLJLGWPMWFL-ZACQAIPSSA-N 443.545 0.835 30 10 ICEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359130944 CODHOGLRDRVBRG-UHFFFAOYSA-N 426.485 0.201 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1359287796 WNMZALNGIMRDTG-HNNXBMFYSA-N 438.554 0.246 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1503436222 BJOAIARFKZLXAP-UHFFFAOYSA-N 437.504 0.638 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507655302 FVKQKVQPWDKFMJ-OAQYLSRUSA-N 444.513 0.488 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539477591 RSLFTSXRGKRNHF-QGZVFWFLSA-N 438.536 0.559 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCN(C)C2)CC1 1539484374 MVGDRSKMGRPIIN-QHCPKHFHSA-N 437.548 0.296 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1587307671 WKSGUNVAYVKZEP-HZPDHXFCSA-N 428.555 0.905 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1588159494 XITJJOACSONJOP-OAHLLOKOSA-N 431.543 0.777 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1595517240 UNHZDIHOHFRQCO-UHFFFAOYSA-N 427.465 0.437 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(C)=O 1613588282 DGLOVXNRJMUXGN-GOSISDBHSA-N 430.557 0.899 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1619989826 JYUSRSGQZJMUEF-RHSMWYFYSA-N 430.506 0.480 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)C[C@H]1CS(=O)(=O)C2 1639822168 UPHLBRRMJGKYLX-HNAYVOBHSA-N 446.510 0.315 30 10 ICEE C#C[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1640186739 QATQEKDTTCDEHC-HOCLYGCPSA-N 435.502 0.242 30 10 ICEE N#C[C@]12CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]1CS(=O)(=O)C2 1648501128 YEQNMNMIUVTVHR-ORAYPTAESA-N 434.474 0.366 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)CC1 1668313436 IKEMSRFEMRIRDD-UHFFFAOYSA-N 425.580 0.749 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689996554 JTVHAIZCFQHFMK-QGZVFWFLSA-N 439.582 0.552 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(C)(=O)=O)CC1 1690117588 NKIQGTDGRSZXRI-UHFFFAOYSA-N 433.534 0.762 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)COC)CC1 1690145972 BYTZFIJBRKILCL-DOTOQJQBSA-N 437.566 0.429 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1690206309 NIOUIZMABIDUQY-MBOZVWFJSA-N 435.550 0.948 30 10 ICEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696376232 ZVBCVXXTLRIDFV-MMYRVIJDSA-N 443.508 0.618 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564148 LZPQMHRXDDHZNA-ROUUACIJSA-N 444.561 0.688 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705680843 IKYOWONTSNZJLN-QJPTWQEYSA-N 447.359 0.512 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705938019 LAKHGOHNMSJEBT-UONOGXRCSA-N 439.494 0.115 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740616213 WDWYWTBZCSSNCZ-CQSZACIVSA-N 434.547 0.646 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1740751671 NJTDIKWSGZHGTE-UGUYLWEFSA-N 440.570 0.571 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740959710 CZTYMDJJGXPSRC-VXGBXAGGSA-N 437.444 0.250 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740992733 TWOHUDZMEPTSEL-HNNXBMFYSA-N 448.549 0.429 30 10 ICEE CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1741304111 FGNDDGFMYNTQKQ-QFBILLFUSA-N 440.570 0.758 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC(=O)N1C 1743319377 HWSIQIRSTWHERC-ZYSHUDEJSA-N 440.504 0.936 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC#C)CC1 1748698141 CGHHQSSMSJORHS-MRXNPFEDSA-N 434.566 0.658 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1748791193 PZZVYHKNLVZQHG-IAGOWNOFSA-N 426.587 0.657 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748994416 GJQRBZUVIHFEPH-OAQYLSRUSA-N 441.561 0.503 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749664218 ZAIKHMSICASSSN-UHFFFAOYSA-N 442.568 0.576 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760191400 GSBHDPVUVPXUCF-IRXDYDNUSA-N 435.550 0.454 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760556442 DOYPCVRDOWUPGV-KRWDZBQOSA-N 437.566 0.659 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1769844934 FRIOBZMBOHWUSU-INIZCTEOSA-N 441.554 0.478 30 10 ICEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)C2(C)CCN(C)CC2)CC1 1853508624 OOEPBBOCXSISRT-UHFFFAOYSA-N 442.582 0.935 30 10 ICEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC(C)C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865720775 WNQCWOICZSRGMD-OAHLLOKOSA-N 426.473 0.868 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(C)ccc1O 1865728537 GVBTVMYZZFQSBR-MRXNPFEDSA-N 438.484 0.993 30 10 ICEE N#Cc1ccc(COc2cn(CCCO)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870349487 PJHDOQSYJZHCDX-UHFFFAOYSA-N 426.517 0.791 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268765148 GLPHIGOLBWVNCQ-RCBQFDQVSA-N 449.313 0.660 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 541253222 VHXJDJRZORCIKQ-KRWDZBQOSA-N 431.518 0.805 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)S/C2=N/CCc2ccccn2)C1 760321394 QEJPBVDNMIINAT-LWWDLFSGSA-N 432.550 0.864 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1 783058259 DHLFJHBGMZJBMD-UQABWZRDSA-N 434.518 0.952 30 10 ICEE COC(=O)[C@H]1CCCN(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C1=O 1161250609 LJXCMDAULGLIKF-NSHDSACASA-N 439.266 0.581 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1286325505 YNZFTJRGUAPJNB-SJORKVTESA-N 441.554 0.266 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1286349055 DJURBCNEDFQESL-MRXNPFEDSA-N 438.554 0.116 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287487268 PPWAZQFYHAIWJR-CVTQAYBASA-N 427.509 0.814 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1300283513 NCOWLCHTNODUDS-AWEZNQCLSA-N 428.522 0.830 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1300465368 MBTRFVZNCIPKFJ-SFHVURJKSA-N 433.534 0.875 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300864142 ZDDOYTYKEJUNDC-HZPDHXFCSA-N 440.570 0.481 30 10 ICEE CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1305095422 QPEGKUHHAVGWSV-DXQAYGFFSA-N 448.549 0.943 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1 1354861986 KIZCPIFJXUEGHH-UHFFFAOYSA-N 448.522 0.855 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960126 YAJLUXAMBKHBHW-FOIQADDNSA-N 434.493 0.862 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960311 BJEXPSWEJDECQB-ZWKOTPCHSA-N 446.577 0.868 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1358994159 GJKIGBUMOMYPBW-KKSFZXQISA-N 429.546 0.654 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCO[C@H]1CCOC1 1360672462 RPXBRFBDQQSJBJ-ZBFHGGJFSA-N 426.543 0.824 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCOC1 1360707846 LSWNQAIBLKDPRL-YQQAZPJKSA-N 437.570 0.491 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1ccnn1C 1361176852 XVEDXTSYUYCHHH-RTWAWAEBSA-N 437.504 0.760 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1442993780 NXTCJFAOAUIEJP-OWCLPIDISA-N 444.554 0.188 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[C@H]1c1cnn(C)c1 1467576228 FCIWKPMRMXONCX-GUDVDZBRSA-N 442.907 0.784 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507741432 SNQBREUDTQSIHC-UHFFFAOYSA-N 427.534 0.537 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1516838488 ORDBMSUYLVXGCU-OAHLLOKOSA-N 444.583 0.250 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1539429038 ZSZFKPBVUORMRA-UHFFFAOYSA-N 443.552 0.748 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1587799158 ZOWGNYPXQHYKNQ-UHFFFAOYSA-N 442.524 0.779 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCNC(=O)C1 1595785218 UUBFHYHAEBTBQE-UHFFFAOYSA-N 428.518 0.974 30 10 ICEE CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1614963504 DLLJCPGZZFDQEG-CABCVRRESA-N 441.558 0.123 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1618647494 ZUWKMTQJAQMBAL-KBPBESRZSA-N 432.506 0.656 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](C)(C#N)C3)CC2)c1 1620441366 LOKMAQCOCDGDIN-FQEVSTJZSA-N 436.534 0.772 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1 1669509710 NVDLTQVWSIDJGS-UHFFFAOYSA-N 438.460 0.982 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1690669747 NSURYDOXZDFHGD-UHFFFAOYSA-N 438.492 0.857 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnc2n1CCCCC2 1690992862 ALSUXKWXTDMTDA-KBPBESRZSA-N 435.558 0.850 30 10 ICEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705538538 SGUMAPSUWYIYIO-UHFFFAOYSA-N 449.519 0.914 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705571092 WPMOUISJOUXPPU-RXVVDRJESA-N 445.545 0.696 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1706069481 DHNZOGPLAGXXNI-HMDCTGQHSA-N 439.520 0.819 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748821588 RLWLTFSUEAYOGS-KNQAVFIVSA-N 444.557 0.841 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1749650332 SNJINWXQYHEDMW-UHFFFAOYSA-N 449.519 0.997 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763202538 IBUPKXWWWIDBSF-XZOUCZQKSA-N 436.476 0.581 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccccn2)C1 1770348242 IDGZJFBBFKKQAF-QFBILLFUSA-N 449.512 0.691 30 10 ICEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856838469 LLLNLNACPRQJSH-GDBMZVCRSA-N 438.481 0.191 30 10 ICEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC(N(C)C)CC2)n1 1871507811 YZKVGHUTNUYSPL-UHFFFAOYSA-N 432.554 0.813 30 10 ICEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694947 WHHHERUNYWZZLP-MRXNPFEDSA-N 430.314 0.764 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CCO)COCc2ccccc2)n1 2320441982 ZZOWRHURJXQYKZ-MRXNPFEDSA-N 430.314 0.812 30 10 ICEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25180628 BYJCZPAJLXTHRJ-LBPRGKRZSA-N 447.439 0.641 30 10 ICEE C=CCOC[C@H](O)Cn1c(NN=C(C)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 254874323 UUESRFWLLCHIPE-MRXNPFEDSA-N 426.477 0.833 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)c1 537396007 RAOALROBZOGYOG-CQSZACIVSA-N 440.525 0.440 30 10 ICEE CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccs2)c1=O 589161679 WYQRCDGQQOQQQL-UHFFFAOYSA-N 437.568 0.393 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 603989826 JXWMJEAKFWABGZ-KRWDZBQOSA-N 437.521 0.829 30 10 ICEE C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CCS(=O)(=O)C1 729332196 VHTJCGVRROCFGC-JTQLQIEISA-N 435.321 0.359 30 10 ICEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706686 MKQRBXPZKHPTDT-OAHLLOKOSA-N 447.517 0.273 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)CC1 735031561 LFWXAYMGAWAOBT-UHFFFAOYSA-N 442.520 0.661 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)c1 751923684 IZMJZPLSDPOUTF-RHSMWYFYSA-N 429.546 0.802 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1Cl 1130149341 HKAOEELPGUOAMV-LIRRHRJNSA-N 437.905 0.981 30 10 ICEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc(C#N)c1Br)C2 1138250440 YPSYPMBNWFVNJK-UHFFFAOYSA-N 433.266 0.423 30 10 ICEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)CN(C(=O)OC(C)(C)C)C1 1153999379 BADNJAMFQKCHRW-UHFFFAOYSA-N 440.526 0.451 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC(=O)N(C)C)CC1 1286472834 LWINEUXGNAWCQY-JOCHJYFZSA-N 432.569 0.942 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1286712486 ZYXGZRWATDJWNK-IRXDYDNUSA-N 425.555 0.294 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 1286790222 LDTVRRZBOLKINS-UHFFFAOYSA-N 446.533 0.961 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1296315708 UHKSFORQYXZUMT-HTXNQAPBSA-N 442.524 0.924 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1300307915 KEGIWFVGXOMIMK-SJLPKXTDSA-N 444.561 0.918 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1301258376 QYWSONYAQFCSJN-ULQDDVLXSA-N 443.570 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1359327805 LDIWYYCJDLCDKG-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1360712475 AHHQNGZCTJSDNQ-YPMHNXCESA-N 425.902 0.714 30 10 ICEE C=CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1442030012 CPKWZNWRVHWDTA-IRXDYDNUSA-N 437.518 0.749 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)s1 1446144079 WIPFNGOCUYWDDN-JSGCOSHPSA-N 435.593 0.589 30 10 ICEE COCCNC(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1463895252 PTGRXJKUDVOYJB-SFHVURJKSA-N 441.488 0.764 30 10 ICEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc(C#N)n1 1469920528 IWKKFGBPXDCSEN-ZWNOBZJWSA-N 430.387 0.530 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1477543747 XEENLTMPGZFHHD-HXUWFJFHSA-N 449.577 0.163 30 10 ICEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507956820 SLBPAJAINRXVQW-MRXNPFEDSA-N 440.504 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1508093876 WQFNWVJPUUPYBL-QGZVFWFLSA-N 426.477 0.795 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1539265417 FWNVWVFXXPEUJV-IAGOWNOFSA-N 437.591 0.827 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540902044 YNKADVFYRCFKHB-OAHLLOKOSA-N 431.522 0.463 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 1542481141 WMPBTTZKKYEAPS-ZDUSSCGKSA-N 425.935 0.801 30 10 ICEE COCC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555203706 OAPVFBXXTKVZIU-VXPUYCOJSA-N 443.508 0.052 30 10 ICEE CC#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1583661947 RODIISAYMKMLBW-GOSISDBHSA-N 435.546 0.499 30 10 ICEE N#Cc1cn(CCNC(=O)/C=C/c2ccc(I)o2)c(=O)nc1O 1585296331 SKKCFIBBWBSXDI-DUXPYHPUSA-N 426.170 0.848 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588054297 NDBNPXJGQFJFLA-DOTOQJQBSA-N 446.533 0.703 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588075136 YRTQJNXHINFOAT-HUUCEWRRSA-N 430.552 0.191 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1595556702 ZIYIFSOLOHXSKP-SFHVURJKSA-N 426.521 0.701 30 10 ICEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618171691 IIHVGJRJQSHIPD-QWQRMKEZSA-N 426.516 0.502 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2I)CC1 1628147179 YNQHNYBWMWGJHL-UHFFFAOYSA-N 429.262 0.220 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(I)c2O)CC1 1644284647 ANOAJRVHHIPTHZ-UHFFFAOYSA-N 449.270 0.222 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)CC1 1650846223 NZDQWYVWMCRBMR-HNNXBMFYSA-N 448.574 0.520 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1689853575 VZQNXTSHTXIHJG-HZPDHXFCSA-N 425.555 0.764 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1689998424 LQPSAIBMSFMDHR-ULQDDVLXSA-N 426.539 0.665 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1690644346 FVTSSPWKRDOOGJ-INIZCTEOSA-N 436.542 0.305 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COCC)C1 1690714423 MKEBQHGYYKPMRF-INIZCTEOSA-N 425.555 0.978 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1705661887 KZCMYXHFWLKJOB-INIZCTEOSA-N 447.590 0.663 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722692790 WVBRNCBYSWAFGD-UHFFFAOYSA-N 445.568 0.947 30 10 ICEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1729325149 AKKYKNPEZNKAPQ-CVEARBPZSA-N 438.554 0.020 30 10 ICEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740583025 LGEMWBBUDCULJN-ZDUSSCGKSA-N 446.309 0.596 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740589949 DFMTUKNTFLWQEO-VBKZILBWSA-N 448.549 0.408 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740655945 GRJWEVWGMFFJKP-QGZVFWFLSA-N 437.591 0.624 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNS(=O)(=O)CC)CC1 1740696964 MLOKOTMCZXDXHU-UHFFFAOYSA-N 430.578 0.872 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1740700841 KHMSDMSWCXWODL-KSFYIVLOSA-N 444.536 0.020 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1749682262 PZJJOGFSSYAYFT-HXUWFJFHSA-N 435.529 0.084 30 10 ICEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1752446424 ALQBRXVFUZHQQM-QRQCRPRQSA-N 440.504 0.827 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760528135 STRZWBMJVUXGBP-UHFFFAOYSA-N 427.513 0.357 30 10 ICEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769265954 UUMVKUZAFQTVIB-OAHLLOKOSA-N 447.519 0.641 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)CC1=O 1856791924 LJSVPYLLPFMIDW-WFASDCNBSA-N 430.429 0.988 30 10 ICEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856842344 NTTSBOCNDJRQIC-HOCLYGCPSA-N 438.481 0.191 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)[C@H](C)C2=O)CC1=O 1857095196 KNJOTRQHDBNRHO-OLZOCXBDSA-N 441.456 0.747 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)NN2CCN(C)CC2)c(C(=O)OCC)c1C 1860760948 IYSAKELUWHBUNY-UHFFFAOYSA-N 438.506 0.793 30 10 ICEE Cn1nc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255623568 OUVQYZLGVXVJQG-ZIAGYGMSSA-N 436.318 0.741 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255873757 NVACRSPZKFEUEZ-YUNKPMOVSA-N 433.318 0.854 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)n1 2267113131 POBAGDWYVAJJMY-UHFFFAOYSA-N 445.251 0.645 30 10 ICEE Cn1cnc2c1c(=O)n(CCCN1CCN(c3cccc(F)c3C#N)CC1)c(=O)n2C 29859207 UTWKEPOXDPCSKW-UHFFFAOYSA-N 425.468 0.657 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@H]2CCCO2)c1=O 501994801 QDROYFOCZXVUOB-QGZVFWFLSA-N 435.509 0.964 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 513295407 XNWGHKWKWDFPMP-MRXNPFEDSA-N 440.435 0.718 30 10 ICEE CCOC(=O)N1CCN(C(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)CC1 585673886 WWBYLCZRBPRQNW-JEOXZBAYSA-N 429.433 0.361 30 10 ICEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ncccc2C#N)CC1 619510216 DVLAVKGLIZUFON-HNNXBMFYSA-N 440.529 0.700 30 10 ICEE CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(CN1CCN(C3CC3)[C@H](C#N)C1)C2=O 742148647 AWICXNVEKFQZMI-MRXNPFEDSA-N 432.525 0.938 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 746006331 FUXOCYIWTRRHIV-GOSISDBHSA-N 433.530 0.842 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CN1CCOCC1 774250944 QVGXWSWXHIOBLD-WBVHZDCISA-N 438.550 0.093 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CN1CCC[C@H]1CO 781936820 HBRQDODMKIMAFI-OQLSDQBISA-N 427.505 0.969 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 789075479 CPERJEMCFBYMOG-CAMMJAKZSA-N 425.489 0.481 30 10 ICEE O=C(CO[C@H]1C#CCCCCC1)NCCOCCOCCC(=O)ON1C(=O)CCC1=O 888088037 PLHRQGJSIULEHT-QGZVFWFLSA-N 438.477 0.486 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)n1 1116839803 BGDPNBXZZRXXLM-UHFFFAOYSA-N 425.555 0.183 30 10 ICEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286505933 BZDOXUDBQPMPIL-INIZCTEOSA-N 446.577 0.466 30 10 ICEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286753323 ATCAWUZIBRGILV-RBUKOAKNSA-N 426.539 0.658 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286787837 KFSDRFCHSAJBLK-XHSDSOJGSA-N 440.570 0.396 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1296312265 YXNVIOIHEAVFEX-FBMGVBCBSA-N 428.497 0.533 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300496718 UHJLYIPZWUJRGX-RSJDLPBQSA-N 428.580 0.915 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1301515673 XMWZDQWNHIOPOV-SFHVURJKSA-N 442.520 0.727 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1359031307 XERCZIYGXIOXCI-SFHVURJKSA-N 444.458 0.364 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359298616 GUHGJBKJRVRBKJ-HNNXBMFYSA-N 433.538 0.469 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(NCCN2CCOCC2)c(F)c1 1464925557 OIKJCHQDAWHESQ-XUTLUUPISA-N 431.468 0.826 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(=O)n1C1CC1 1473072630 FARKKXFOSZLSPJ-UHFFFAOYSA-N 430.486 0.500 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1503283680 BFYZARDASCCYJS-HNNXBMFYSA-N 444.583 0.250 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508096227 DCMZHJHXURXLOU-HBFSDRIKSA-N 448.568 0.463 30 10 ICEE CN(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517015415 FPENIDARCFZERH-KRWDZBQOSA-N 440.508 0.342 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1517457156 WXANWFTWLQHHRR-CQSZACIVSA-N 435.492 0.846 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 1539032743 HFVMQZKPIKABCM-CQSZACIVSA-N 447.604 0.086 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 1539447951 ZPGPOSOFLDFGHZ-SFHVURJKSA-N 442.545 0.083 30 10 ICEE CC(C)Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541455320 UIBFCIBQCZIUMN-KCQYIYACSA-N 427.509 0.719 30 10 ICEE CN(CC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554138245 FGNPGQXKRMWFMI-NIZNLAEJSA-N 427.387 0.754 30 10 ICEE CO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555150180 MKBBZAALDUGNON-MQINBFPNSA-N 429.481 0.371 30 10 ICEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1555577937 HDBJDXOCEYANBJ-ISLYRVAYSA-N 445.524 0.397 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1555753124 JXKWBKFQKFDRBQ-HCXYKTFWSA-N 432.525 0.989 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1588233046 ANMHFTUKGOXKRM-GOSISDBHSA-N 445.549 0.339 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)CC1 1625717734 ARYVYFISOPWEOE-UHFFFAOYSA-N 436.494 0.173 30 10 ICEE CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)NCCN(C)C 1633265632 PKYDKZDEWKXQOZ-KRWDZBQOSA-N 426.514 0.945 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1643372674 WPOAWGTVZHFQHC-JXFKEZNVSA-N 440.566 0.635 30 10 ICEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1684851089 CEXNIRINWNIXCZ-QAPCUYQASA-N 426.477 0.409 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(=O)N2CCCCc3ccccc32)CC1 1685491718 KRAFFYLWIFSFDS-UHFFFAOYSA-N 433.534 0.151 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1690011722 ANILUNAZIARKIY-NRFANRHFSA-N 425.562 0.959 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1690111712 IITUGLUYXRFSLX-KGLIPLIRSA-N 432.497 0.068 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1690206730 YHAHYENEAOFWIK-YLJYHZDGSA-N 438.598 0.943 30 10 ICEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1694737988 CLRHFYHEWBPTSK-GOSISDBHSA-N 438.536 0.929 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)C1 1698311003 HQSJWJCKLKUNRV-JKSUJKDBSA-N 435.554 0.641 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1698318539 CCSBHOVSIUFBQN-CABCVRRESA-N 432.462 0.480 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)cc1 1705910043 PQKOTKYKBMWJPY-CQSZACIVSA-N 434.522 0.438 30 10 ICEE CC(C)Cc1nnc(N(C)CCN2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706382859 BEAXCCIJHOHVLC-FMQUCBEESA-N 431.541 0.771 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1722295520 LCNOKJUCZKATOV-KSSFIOAISA-N 447.517 0.846 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722358214 FBLRZZMAVKBYQF-CQSZACIVSA-N 432.506 0.323 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOCC2)CC1 1722445947 GQROIAZLIDIOJP-UHFFFAOYSA-N 440.552 0.367 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1722490786 DCQWYTJODRGTKZ-WCVJEAGWSA-N 440.570 0.584 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722692783 WQPPWVRLGQOQIF-UHFFFAOYSA-N 447.540 0.873 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)CC1 1740693177 WTQNRJJYUBTZFM-UHFFFAOYSA-N 441.927 0.923 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747434447 FSABRUZURXUNTE-KRWDZBQOSA-N 447.569 0.185 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1748892191 KVMPLSUYYAICGJ-HKUYNNGSSA-N 448.593 0.557 30 10 ICEE C#CCN1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1748989814 PPRLAJHYURSRGL-UHFFFAOYSA-N 440.639 0.610 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H]21 1749037807 JQINLVYVJDCGGS-XHSDSOJGSA-N 425.580 0.966 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCC(O)CC2)CC1 1749287108 WVZOEKVIBYBQIF-MRXNPFEDSA-N 426.587 0.892 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1750060396 GXANXCLXKHFTFQ-AVYPCKFXSA-N 433.513 0.903 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760252215 NVWYINPKNYAWTO-UHFFFAOYSA-N 436.520 0.671 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760366633 FMXQFALFTMSYKT-CQSZACIVSA-N 440.932 0.682 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760432908 OHGLTEVKXPAWON-HIFRSBDPSA-N 425.559 0.895 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1760556996 WQNKVGDMPYSHCU-UHFFFAOYSA-N 433.534 0.757 30 10 ICEE CCOCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766547630 UFFYSIMWMBSSCD-VLGSPTGOSA-N 431.497 0.513 30 10 ICEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1769569066 XMSBEKWEKSQKOR-OAHLLOKOSA-N 437.504 0.779 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263316 DOZYOSGBOSZMBN-NRFANRHFSA-N 448.329 0.878 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270508222 KVNACXLXIJYCRZ-QGZVFWFLSA-N 425.507 0.588 30 10 ICEE CC#CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286029795 RXLQYDRRBNTQAW-GOSISDBHSA-N 437.518 0.425 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2298379851 QUJSMCGWQUKXTB-RYPNDVFKSA-N 426.319 0.926 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2315533090 WELNMVANUYWVDU-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CCC1 430991553 ZMCUFKZNAYENDF-UHFFFAOYSA-N 428.514 0.613 30 10 ICEE O=C([C@@H]1CCCCN1CC#CCN1CCCC[C@@H]1C(=O)N1CCOCC1)N1CCOCC1 472578591 GQIILMSTAJQVHT-SZPZYZBQSA-N 446.592 0.416 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2CCO3)CC1 483574888 OWYUNVXBJFBUAU-UHFFFAOYSA-N 440.481 0.965 30 10 ICEE C[C@@H]1C[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 531139734 ZBFANLYHNRNBDZ-IEBWSBKVSA-N 433.578 0.806 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 603826095 IVWQQPZXRYVUQE-UHFFFAOYSA-N 432.933 0.144 30 10 ICEE O=C(CNC(=O)c1ccc(Br)s1)NCCN/C(O)=C1\N=CC=CC1=O 731862300 CEBFPOGCEVGZDO-FYWRMAATSA-N 427.280 0.883 30 10 ICEE CN1CCC(n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccoc3)c2=O)CC1 732662975 GRMFIYMMEVTUBF-UHFFFAOYSA-N 444.582 0.848 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)C1 749789739 BVHADQQVBZHKJP-OAQYLSRUSA-N 447.580 0.758 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 751924901 PJUJINWYBYOLMS-HXLKNUKESA-N 434.566 0.127 30 10 ICEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 771546223 DYJQOQNFANUZND-RLBWVDARSA-N 428.522 0.359 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1136326404 CBSNIKSKOJUXND-UHFFFAOYSA-N 449.510 0.105 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 1152967476 IJKHEWOXPAEFPZ-UHFFFAOYSA-N 437.503 0.143 30 10 ICEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1157928704 RBZINKXIYIZRRJ-QGZVFWFLSA-N 444.517 0.647 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2S(=O)(=O)C2CC2)CC1 1209860125 SPNMXOYYVAWUEY-UHFFFAOYSA-N 426.520 0.240 30 10 ICEE COCCN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1225592275 NSAUOQIYNILQOQ-KSSFIOAISA-N 430.527 0.450 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 1286489879 GWEYJGJRIQXDFH-YCRPNKLZSA-N 425.493 0.241 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1286793120 SLBKOWNEHIHYQA-MGPUTAFESA-N 430.513 0.702 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1287127422 VOTGMRXJHCTTQK-AWEZNQCLSA-N 425.559 0.791 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1300487075 FSFCTHCHQYQOOM-PXNSSMCTSA-N 431.518 0.772 30 10 ICEE COCCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301610817 WIPVYASFZWKVEB-GOSISDBHSA-N 425.541 0.880 30 10 ICEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)cn1 1301849653 DKTQICHCZOCPQE-UHFFFAOYSA-N 441.517 0.943 30 10 ICEE COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1=O 1301862127 FPSUEBZPBCODSR-QGZVFWFLSA-N 429.525 0.635 30 10 ICEE C#CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)cn1 1309664760 QUQWOAVNUJMOEU-UHFFFAOYSA-N 438.307 0.948 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1314136436 CWIRMVMDNHNENV-HNAYVOBHSA-N 439.538 0.484 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)c1 1464117490 PSBLJRPKAUWLFL-HXUWFJFHSA-N 437.518 0.241 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 1471451814 YXFBKEAKPIOEMD-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE CCS(=O)(=O)NCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1516850594 IAKCUZHORRDMTC-ROUUACIJSA-N 444.533 0.700 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539200952 TWBNHECYHWZCGO-CABCVRRESA-N 425.580 0.939 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1539239756 QLWUCSHVJCGKDV-HZPDHXFCSA-N 429.502 0.801 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1541803129 CVYZWGVAQYVVLU-DLBZAZTESA-N 437.570 0.611 30 10 ICEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)n(C)n1 1542999441 AUJOCIZCLKELQA-GOEBONIOSA-N 436.542 0.440 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)N(C)C)c1 1544608908 YQAWCYMTGYVUOA-SILNSSARSA-N 445.567 0.614 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565449496 SOLLNIOTGBVLOC-CHWWFWEZSA-N 442.534 0.872 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 1585413138 KOUQVQKQBIWCBK-UHFFFAOYSA-N 435.524 0.231 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1587307362 RLWZZVVWFQZKGA-ZDUSSCGKSA-N 429.495 0.068 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588053502 FHDDYMLZKSOCLW-DLBZAZTESA-N 434.566 0.342 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1588140388 WJOLGQKNKLPLTI-JXFKEZNVSA-N 447.517 0.185 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1588434112 VWLFGXCQPYGWGU-UHFFFAOYSA-N 430.534 0.750 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595844957 KTPHYZIQJUEPLL-KBPBESRZSA-N 443.599 0.364 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1597794991 CJZQEYICUVISLZ-HXUWFJFHSA-N 437.518 0.961 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2NC(=O)OC(C)(C)C)CC1 1636480559 RWYUYMJPTKNYGI-NXOAAHMSSA-N 440.566 0.538 30 10 ICEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)OC 1637694302 XOYYSQYLQSINSW-INIZCTEOSA-N 436.486 0.540 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)CC1 1650845967 COWBGLNSYIRGNG-UHFFFAOYSA-N 439.444 0.904 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCC1(O)CCOCC1 1690092747 UMRVEQXOXMLIHJ-UHFFFAOYSA-N 428.493 0.943 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690144112 MDKBJCLOXODKEX-QGZVFWFLSA-N 436.520 0.616 30 10 ICEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCS(C)(=O)=O 1709137835 IETBHHFBNOVDPR-UHFFFAOYSA-N 433.538 0.495 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1722419489 BCUPKHHMEAWVLD-KRWDZBQOSA-N 448.524 0.947 30 10 ICEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722607849 LIDWOBXCNVDELF-GOSISDBHSA-N 446.552 0.993 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722692770 WIBSHNNTIAQDOF-CVEARBPZSA-N 431.541 0.746 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722702582 QCIBJLSWHWKIPU-JKSUJKDBSA-N 437.570 0.700 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740622307 WZKBCLOSKLWCFT-CQSZACIVSA-N 425.536 0.335 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1741946281 ZVVAVGPQVYPMSY-HRCADAONSA-N 442.542 0.060 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)CC1 1748990497 XVLQDNWUESGBRU-QGZVFWFLSA-N 436.582 0.556 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749683043 HRMJEMXWDQQDIN-LSDHHAIUSA-N 426.543 0.197 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749761025 UESQAYYJORETFE-HNNXBMFYSA-N 442.611 0.790 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1760102860 TXFSPARJIBZOAT-ZDUSSCGKSA-N 425.536 0.356 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1760155093 PQSBKMSDJVWCDR-OAHLLOKOSA-N 440.570 0.375 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760270156 SJOPZXYXHZJJHO-ZWKOTPCHSA-N 449.577 0.715 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1760514321 BCDLEPXKAVJHFA-UHFFFAOYSA-N 432.554 0.497 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1761463269 HUGGREJEQUZKLU-UONOGXRCSA-N 445.549 0.961 30 10 ICEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631575 BPAZCRPPORBJGW-UHFFFAOYSA-N 425.493 0.882 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 461414907 ARNXJFQYBOWXDS-CVEARBPZSA-N 429.543 0.286 30 10 ICEE COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)C1CC1)c(=O)n2Cc1ccccc1 505970780 LEXXXHWKTWUIIF-KRWDZBQOSA-N 436.472 0.473 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 514522873 LLLMEFLLKMOJHM-ZIAGYGMSSA-N 433.555 0.804 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C 542219270 JVAWWGAJXWAUGQ-UHFFFAOYSA-N 429.527 0.350 30 10 ICEE CCN(CC)CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 544688910 MBLCDEUCXHSZIL-UHFFFAOYSA-N 437.566 0.933 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@]3(CCCOC3)C2)CC1 585756283 QYPDVNUHTPECKG-NRFANRHFSA-N 432.546 0.894 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 612644511 RNBFHGUOINYRMZ-UHFFFAOYSA-N 440.460 0.509 30 10 ICEE CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)CC1 727417883 KWCKXOQMBYPUHR-UHFFFAOYSA-N 428.514 0.131 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 802142747 DQCDTTDUURWZBS-DNTCVELPSA-N 425.445 0.940 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 813564548 DSQFQMVVDXRWPE-JSGCOSHPSA-N 436.538 0.224 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCCO1 814249711 WPWXMVYAZOQGTM-CQSZACIVSA-N 449.483 0.332 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nnc(C)c(C)c4C(N)=O)CC3)cc2C1=O 1115994508 XWCYOPXTAFTEJS-UHFFFAOYSA-N 448.483 0.937 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc23)CC1 1152967995 WTQKPRUXIPHUKW-SFHVURJKSA-N 428.518 0.210 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1157848873 FXYHPUAWIXDHSY-ZIAGYGMSSA-N 444.435 0.706 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 1210111400 KBWLDQPSPRJYKB-UHFFFAOYSA-N 443.573 0.994 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1286376123 FVUGFIDHMMPXKY-RXVVDRJESA-N 447.561 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CCOC)CCC2)CC1 1286471056 GQHVRIMHDLNAHA-QGZVFWFLSA-N 438.598 0.850 30 10 ICEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1289031013 HMADXNHPSJDYSU-FQEVSTJZSA-N 431.518 0.982 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1298775993 DEKSXMWHZJNWGR-UHFFFAOYSA-N 440.551 0.189 30 10 ICEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300319637 CQIXRHKETJQRMK-MGPUTAFESA-N 429.502 0.736 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1300491301 GNXQVAVWZMAOLR-HOTGVXAUSA-N 434.566 0.340 30 10 ICEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300895567 SROZDMDYKIJJIJ-IBGZPJMESA-N 434.522 0.877 30 10 ICEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301615736 VAMBYPWOSRJDTJ-OAHLLOKOSA-N 447.590 0.700 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 1302921755 RYEKORAJZGZRBB-UHFFFAOYSA-N 431.518 0.015 30 10 ICEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1358938464 BEUCMHYAWVGVSP-NNPSNHGLSA-N 427.505 0.879 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@]2(CCOC2)O1 1358948426 CDVVHHZLESYWDT-JTDSTZFVSA-N 439.538 0.019 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)CC1 1359029908 KFLSGQGUKPHBDU-QFIPXVFZSA-N 432.569 0.846 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359049190 KEPMBYFMLJMOGB-ILXRZTDVSA-N 431.584 0.495 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1359304593 CDTCWYUQUFOAIB-MRXNPFEDSA-N 430.484 0.819 30 10 ICEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1Br 1447550699 CFKVYCCCQNQFEN-UHFFFAOYSA-N 425.268 0.586 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 1455120138 VNLACCAZSVNSCG-UHFFFAOYSA-N 440.525 0.695 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]([C@H]2CCCO2)C1 1458022339 IXHHEUKZQMFXAT-BPQIPLTHSA-N 435.502 0.796 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1479127803 NAIXCAFPIPTUMT-UHFFFAOYSA-N 428.518 0.936 30 10 ICEE CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1501654445 VYTJNRBHXNXEKE-CQSZACIVSA-N 432.506 0.927 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1507636386 FPOPFMDDEOFLRW-UHFFFAOYSA-N 448.936 0.484 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507716185 NQNBYFXTYKODLJ-IBGZPJMESA-N 431.585 0.528 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCOC2)CC1 1507904226 YFHBEKOWMGRARV-LPHOPBHVSA-N 441.554 0.165 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508078504 YGVGDXBIAGWMRY-AWEZNQCLSA-N 427.465 0.621 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508084390 NUWVMDVCYRGYOJ-IBGZPJMESA-N 425.537 0.867 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1508096481 HBGRXEHNAIISAU-HBFSDRIKSA-N 448.568 0.463 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1517329318 ISDKPJVVGZNDAK-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539072560 SKZJALUDWHHKSV-JKSUJKDBSA-N 438.554 0.081 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)C1 1540892323 JPCNINMYSQKFAG-JKSUJKDBSA-N 446.533 0.504 30 10 ICEE Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1542517141 BFGJRZZJFUQKID-GOSISDBHSA-N 437.504 0.981 30 10 ICEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1558751244 QLGGVFTWSRPVQU-WMZOPIPTSA-N 442.559 0.457 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 1564230781 QSULGKMWTMRZET-AZUAARDMSA-N 433.578 0.834 30 10 ICEE N#Cc1nc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1Br 1584525533 FRMFGOPLPVUEHM-VIFPVBQESA-N 440.279 0.820 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588055044 RUUCTCLWLUVEQZ-PMPSAXMXSA-N 437.566 0.917 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595569952 RZLKRQJBMDXHEC-CQSZACIVSA-N 443.474 0.776 30 10 ICEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)CC1 1620358173 FDJQHPXQNQPFNT-UHFFFAOYSA-N 427.513 0.705 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1632721940 QEFWYVICVYMJGG-PXAZEXFGSA-N 430.479 0.589 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 1634974322 OPUXKOKNIKNFNP-UHFFFAOYSA-N 430.490 0.563 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 1636480039 JRANZDNKWKDJQD-GFCCVEGCSA-N 435.472 0.778 30 10 ICEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 1644661549 JQLBPBJCYFQWPU-INIZCTEOSA-N 433.509 0.984 30 10 ICEE N#C[C@@]12CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)C[C@H]1CS(=O)(=O)C2 1646439956 UUNMIMXCCNJNAN-LRDDRELGSA-N 431.923 0.405 30 10 ICEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCOCC1 1648363908 KXAYIBQVCSQQQS-UHFFFAOYSA-N 441.500 0.960 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 1680227862 JUMAKDLYBZMSNG-OALUTQOASA-N 447.605 0.938 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 1684419561 ONUQWDAIMXVUPP-OAHLLOKOSA-N 443.932 0.853 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1689853680 XFKCLVIHMQBXAB-SUMWQHHRSA-N 436.538 0.916 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1689931634 DJLDCJQKFMOYSX-LPHOPBHVSA-N 439.538 0.020 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1689986728 VWXVVHXTMSRIFZ-AWEZNQCLSA-N 438.460 0.348 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690264981 HZYSUBQQINMUAW-PBHICJAKSA-N 432.568 0.132 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690622572 SIPHJCFKSZJMTF-CABCVRRESA-N 426.543 0.150 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1705598684 OUEIKPNVLQOTQQ-XLIONFOSSA-N 437.566 0.481 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C(N)=O)nc1 1705608331 NGQZVTMTKMBNLR-UHFFFAOYSA-N 428.460 0.923 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705737502 STEVPXSJRBGADE-OAHLLOKOSA-N 439.538 0.852 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1705905245 OWDYIFUQGBQFGE-UHFFFAOYSA-N 443.527 0.568 30 10 ICEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1706759672 UDXFJNWLHJVIMK-QKKBWIMNSA-N 425.493 0.907 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1722427652 XEBISEZRKODEKA-HNNXBMFYSA-N 445.611 0.839 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1722494631 QXLVFUCRVITAEN-FUHWJXTLSA-N 434.541 0.693 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](COC)C1 1722730401 QPPSYWNINAMEHX-INIZCTEOSA-N 425.555 0.864 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1748699830 STKJRSBAVSGXJO-MRXNPFEDSA-N 432.554 0.808 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1748844501 TZVWBEMDIHKLDM-GOSISDBHSA-N 425.514 0.948 30 10 ICEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1749506406 MEVXJCODPVQWBK-UHFFFAOYSA-N 442.611 0.950 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749650197 NBVMVZXSWCDUOM-UONOGXRCSA-N 449.537 0.485 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1760232714 CLYSBWSUWDMBQO-MOPGFXCFSA-N 436.626 0.913 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760272718 SWPKGUFHOYTCCR-AWEZNQCLSA-N 434.547 0.915 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)CCOC1 1767439619 NMOPQORKQXQJKZ-ZWKOTPCHSA-N 445.517 0.433 30 10 ICEE COCCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1771248835 CARQWYHTRZCNSH-ZFWWWQNUSA-N 438.510 0.643 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1771347427 GDLWXGQBSLLDNL-QGZVFWFLSA-N 444.517 0.299 30 10 ICEE N#Cc1c(NC(=O)COc2cn(CCOCCO)c(C(=O)O)cc2=O)sc2c1CCC2 1857897861 HUYNVVXFOHNLLK-UHFFFAOYSA-N 447.469 0.995 30 10 ICEE O=C(NCCN1CCOCC1)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933598 JSDXCXKPZKQWJL-IBGZPJMESA-N 428.514 0.915 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)n1 2255633651 FJYHVTZMFSVMHT-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1=O 2270517300 QHQZNGDQLGTZBH-OAHLLOKOSA-N 425.463 0.026 30 10 ICEE C#CCN(C1CCNCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286047692 DNIBJKFYOVCVAI-SFHVURJKSA-N 437.518 0.471 30 10 ICEE N/C(=N/NC(=S)N1CCN(c2ccccc2)CC1)c1cncc(N2CCOCC2)n1 15227957 RTLRRYKGIKLSSG-UHFFFAOYSA-N 426.550 0.630 30 10 ICEE CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 546211340 DSKUJVJRIWMBHY-UHFFFAOYSA-N 427.553 0.134 30 10 ICEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549251945 IMGDTHRTBUJLGP-UHFFFAOYSA-N 447.565 0.539 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553772389 BHVMUCDIEUBUKQ-UHFFFAOYSA-N 427.324 0.929 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CNS(C)(=O)=O)CC1 575823638 LJDYDSHYSPXHDB-ZDUSSCGKSA-N 428.536 0.013 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 604195908 XPGFBCRCFUALJV-NRFANRHFSA-N 429.565 0.559 30 10 ICEE N#C[C@@H](C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)N1CCS(=O)(=O)CC1 732908352 JIYPMDXILHYIRZ-AWEZNQCLSA-N 447.494 0.314 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNc2ccc(S(N)(=O)=O)cc2C#N)CC1 742408359 VSMUBMCPSAAFIZ-UHFFFAOYSA-N 449.558 0.754 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767147912 GIIIIYHOBBGYBL-CKVSNKFESA-N 437.500 0.618 30 10 ICEE COc1cc(Br)ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 781597092 QJDOVGZAYZTTOC-UHFFFAOYSA-N 431.268 0.168 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 807109263 DUWLRMYFRJQHEP-ZNMIVQPWSA-N 444.558 0.315 30 10 ICEE C[C@H](O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 816748648 LZKFVYKGGJOULM-LIRRHRJNSA-N 445.497 0.724 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1155494792 QSMLFTWRBQDPMK-KRWDZBQOSA-N 434.537 0.738 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286509502 RNYCLHUXKSYVNU-GJZGRUSLSA-N 448.636 0.806 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286821775 UTHRLZIVLYAFCU-QGZVFWFLSA-N 445.549 0.421 30 10 ICEE C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1288897667 AHFHWNAJKUIIBX-LPHOPBHVSA-N 438.554 0.512 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC[C@@H]1NC(=O)NC1=O 1300319833 DJTNEICKWMELAM-STQMWFEESA-N 429.506 0.716 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1301613480 YYCICGYMTMLMRG-HUUCEWRRSA-N 431.584 0.755 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1358981111 WVWVTECXIMLVSU-UHFFFAOYSA-N 425.518 0.529 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359031139 RFYYCXUENWGXJU-JQVVWYNYSA-N 433.553 0.737 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359208431 LSWTVGGJKWYQTE-CQSZACIVSA-N 436.542 0.441 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1359282321 XARAPKAYROUBOE-SJORKVTESA-N 441.554 0.595 30 10 ICEE COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 1463732815 DGSQAXLZRUMZFC-WFASDCNBSA-N 434.312 0.892 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1503781989 YFAZEIFCBBGMDP-HNOLQLOCSA-N 443.508 0.413 30 10 ICEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507608642 POSNTGBPFRFSCL-FQEVSTJZSA-N 426.502 0.750 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1508090756 INWYJXWPLIHXEV-UHFFFAOYSA-N 426.525 0.548 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508143628 IWPHICCETOZYSR-INIZCTEOSA-N 432.506 0.506 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1539267151 WWJVTALMXCSTKM-MSOLQXFVSA-N 434.566 0.168 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1OC 1555786725 IUAROMWQOQNMMG-HDICACEKSA-N 449.533 0.728 30 10 ICEE CO[C@@H]1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C(=O)OCc2ccccc2)C1 1585138712 KGEFQFUDCRWKPW-OOSNJVJTSA-N 447.513 0.809 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C 1588672969 JGLQTEYMJVLKEH-YWZLYKJASA-N 433.534 0.896 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1595603150 YVOSJVVXTBGTJU-NRFANRHFSA-N 432.525 0.339 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1595796709 BUCNMROATUVUKB-UHFFFAOYSA-N 425.555 0.832 30 10 ICEE N#Cc1cc2c(n(CC(=O)N[C@H]3CCS(=O)(=O)C3)c1=O)CCN(Cc1ccccc1)C2 1614739368 CPWQQIATGRIGRU-IBGZPJMESA-N 440.525 0.582 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1619989827 JYUSRSGQZJMUEF-WMLDXEAASA-N 430.506 0.480 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](C)(C#N)C3)CC2)c1 1620441367 LOKMAQCOCDGDIN-HXUWFJFHSA-N 436.534 0.772 30 10 ICEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 1627811001 WFCYKKLNUOQFKP-CQSZACIVSA-N 445.950 0.988 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@]1(O)C(=O)Nc2ccccc21 1633499801 BFJYZVBURUGWIA-OAQYLSRUSA-N 442.497 0.852 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1644285033 FYNSEBCUSMABJP-JKSUJKDBSA-N 428.555 0.634 30 10 ICEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1644638198 KVAMIPWUWAZYGM-DLBZAZTESA-N 431.514 0.838 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1690047527 SRLCGCKTDPWYII-MRXNPFEDSA-N 429.502 0.666 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690175132 QJZUBNWOUJGQAC-GJZGRUSLSA-N 438.579 0.103 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690671073 OMXXYXRNKKDPJQ-IBGZPJMESA-N 442.568 0.920 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1692554275 HCKVHYZCIZOGNW-UHFFFAOYSA-N 433.538 0.669 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705566940 RYDKCRGMVLMMIE-IKGGRYGDSA-N 435.550 0.815 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1705903084 PPWMPSURSOSLAG-HNNXBMFYSA-N 441.540 0.454 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)COC(=O)N2 1705937466 URDAFMRUGDRMFE-UHFFFAOYSA-N 446.533 0.944 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)c1 1711414248 FUNHLWGHMPYYGM-CQSZACIVSA-N 433.538 0.969 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366935 UAJAZKOFYCAHFP-GOSISDBHSA-N 444.561 0.759 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722381070 HLBKTUZNEPOEHC-IEBWSBKVSA-N 433.516 0.970 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC1CC1 1740551533 LFNHNYXBZOVADK-NVXWUHKLSA-N 425.555 0.886 30 10 ICEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740571457 QHROVKDDPOVFCK-UHFFFAOYSA-N 439.520 0.584 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(S(C)(=O)=O)cc1 1740601118 RXOZOALOXMFPCT-AWEZNQCLSA-N 439.563 0.604 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCOCC2)CC1 1740701128 VPGAKFQSDLYBKJ-ACRUOGEOSA-N 446.596 0.726 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740875633 GZZLUMVFSUGVBQ-GJZGRUSLSA-N 449.599 0.447 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1740963457 LIDAAVOMLDRSSO-UHFFFAOYSA-N 429.525 0.198 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964805 IVHDYRYDXNUJAE-CKJXQJPGSA-N 432.525 0.336 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1749669238 IPNCXJBIXHKJLX-LSDHHAIUSA-N 426.543 0.150 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1760505414 SWIJXVHTQDIDEL-SJORKVTESA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760528668 JPNATEHWFPOUSW-GDBMZVCRSA-N 431.497 0.198 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1760555426 FRJJQZNHKMAXBR-QGZVFWFLSA-N 427.571 0.541 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1766383725 WULVUBRFDVLJRH-FUHWJXTLSA-N 437.504 0.922 30 10 ICEE C=CCN([C@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1=O)[C@@H]1CCN(C)C1=O 1853681673 CEIWOEVJOZKONE-DLBZAZTESA-N 433.530 0.940 30 10 ICEE CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3ccc(C#N)cc3)c2)CC1 1868131417 NQXBQIQKWMHBBI-UHFFFAOYSA-N 441.513 0.863 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2)CC1 1890562480 HCXWTDOSQOBROI-LJQANCHMSA-N 436.622 0.645 30 10 ICEE Cn1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2255614720 LMRPGNOUXUZPFE-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)n1 2267546327 VDLMJWVELYRDPL-UHFFFAOYSA-N 445.251 0.645 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2315516837 CDHJGLOUAURSHC-CHWSQXEVSA-N 436.318 0.429 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2315535423 UZLIBBZIMIUZCF-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 436215618 DOGFBJXSTPZEEL-PSCUFVCCSA-N 431.537 0.599 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCCO1 480930161 HZYACYBGHFTEBM-ZDUSSCGKSA-N 431.539 0.964 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 481031567 BWKXBQGFUHRIRT-UHFFFAOYSA-N 430.461 0.889 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 744461211 XKXUDUWGHSLRIE-AWEZNQCLSA-N 431.474 0.506 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)c1 753962212 DBUKGWFCSHSOTM-UHFFFAOYSA-N 433.468 0.887 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)n1 788955718 LXHPPJPTWZSSCQ-JOCHJYFZSA-N 438.488 0.929 30 10 ICEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 814249594 TZNOFQWNBBEXLJ-UHFFFAOYSA-N 446.536 0.669 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156675207 DBKUJHBVKSFOEH-QAMTZSDWSA-N 427.523 0.798 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC 1175230551 XFNPTHAZIPDKGC-JKSUJKDBSA-N 437.518 0.992 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1175955411 LLXQLXWJPIUPEY-JKSUJKDBSA-N 425.580 0.328 30 10 ICEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1208297050 NZTXQQOWMDITQU-CQSZACIVSA-N 437.474 0.252 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1286349578 KFJZCWLCFQJXGP-HOTGVXAUSA-N 448.553 0.494 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286540430 BCNZNMUGDMDTED-RYUDHWBXSA-N 445.343 0.303 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C)C1CC1 1286736282 CUYNRFFJMRDLOX-HNNXBMFYSA-N 426.543 0.244 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286779506 ULYYVHONNDRNIM-UHFFFAOYSA-N 431.541 0.557 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1286822564 GEICOLHIGHOHFH-UHFFFAOYSA-N 449.533 0.745 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1300991090 PENSYVGUJLNLJI-YJBOKZPZSA-N 442.517 0.646 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C1 1301537541 BRBLYIZOBMGJGQ-WCQYABFASA-N 427.556 0.878 30 10 ICEE C#CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCN(C)CC1 1304000061 CNOAXOOAMNVJLG-QGZVFWFLSA-N 427.567 0.967 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359048545 UQIKZDFPZZEQJH-UHFFFAOYSA-N 447.609 0.527 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359335967 ABKXVQYMFMNYAM-OAHLLOKOSA-N 447.583 0.248 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 1459757337 GOXPFCJGHNSQDQ-QGZVFWFLSA-N 447.536 0.959 30 10 ICEE Cc1c(Br)cccc1C[C@H](CO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 1475300222 BAONOVBMSZGQPX-DZGCQCFKSA-N 432.340 0.967 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1507753167 COVVNMVDFKUMKD-MRXNPFEDSA-N 431.566 0.980 30 10 ICEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539119629 ZEDPOAVOULSPEL-BOUXLOLZSA-N 432.477 0.751 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219543 DGTFECVACHWDKR-ZWKOTPCHSA-N 448.570 0.855 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540869051 AFXQZHPYBMSIRM-MGPUTAFESA-N 428.497 0.017 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)cc1 1543124992 WOINBBLXKMYRNS-VFHLLAQVSA-N 444.517 0.868 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1595475156 AYVUGFSYLPJVEQ-HUUCEWRRSA-N 448.549 0.978 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1595602531 MKRBVKKFBYIINQ-UHFFFAOYSA-N 431.541 0.149 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595797386 FKAZFZGXDJZULW-LSDHHAIUSA-N 427.527 0.660 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3nc(C#N)cs3)c2)CC1 1617870377 KWIKRPVOYKTKTB-UHFFFAOYSA-N 433.515 0.798 30 10 ICEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 1622395637 FVTSSQCZVYJWJO-OAQYLSRUSA-N 427.461 0.355 30 10 ICEE CS(=O)(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1624061628 ASQICOWXLNHRFC-MRXNPFEDSA-N 433.490 0.303 30 10 ICEE COCCN(C[C@H](O)C(F)(F)F)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1631627487 DBCYWFXTFSDDRP-AWEZNQCLSA-N 437.440 0.904 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCNc2cc(C)nc3ncnn23)ccc1F 1634905297 BWNWTCHDCZSQIO-UHFFFAOYSA-N 433.469 0.878 30 10 ICEE C#CC1(O)CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1654345079 CDSRNQMAYFTPOI-UHFFFAOYSA-N 439.516 0.783 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 1670591694 GUYXBIOKLMQVKG-UHFFFAOYSA-N 432.510 0.403 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1686084907 VWRFVNIRHPJSBK-FXAWDEMLSA-N 432.502 0.653 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690668279 YWVBBGNULATXKH-JKSUJKDBSA-N 429.525 0.943 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690724450 PFNRNILYNLVURJ-RDTXWAMCSA-N 425.511 0.414 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1705534939 WEKSAFVCTIJTQA-QGZVFWFLSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1705559748 FPENGZOAPCEGAA-HZPDHXFCSA-N 443.595 0.310 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1705566222 ZXYPMKUYISUYCH-SFHVURJKSA-N 432.550 0.545 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1722294892 IHZOQLUGNMGEAB-XFNCPJSQSA-N 443.595 0.370 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722333899 ZVEBXUVEROUOFE-BZSNNMDCSA-N 436.582 0.697 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740622618 FFJUJVFLSHIDOJ-QWHCGFSZSA-N 449.455 0.782 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1740709434 NKFCBBMGTHFLNQ-AWEZNQCLSA-N 443.599 0.106 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1748717926 LXKQYFXPMXOAHO-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1748805752 VQVCMAOMQTUJJI-KIJUOZEOSA-N 446.533 0.555 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1748815365 PRFAPJKJDDRGBZ-CVEARBPZSA-N 435.550 0.673 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1748826511 UVGQKGSYGNQQJN-KRWDZBQOSA-N 436.582 0.196 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1748977719 AMFZSDQFOXANLY-JRPXNJEYSA-N 435.594 0.987 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1760232639 JPQATWBUMOWOKB-UHFFFAOYSA-N 429.506 0.201 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760520880 CJBYXWFXTYCNDV-CVEARBPZSA-N 427.513 0.581 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760522783 YRAXHVCQKXXZFH-WMLDXEAASA-N 447.517 0.716 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760523112 MNSBKOHDGBUUHT-HNNXBMFYSA-N 433.538 0.580 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1765921590 GFMNNONSJAIJDX-HDMKZQKVSA-N 425.511 0.094 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)Cn3ccc4ccccc43)C(=O)C2)C1 1856858104 OSJWCYRCBOXBIM-KRWDZBQOSA-N 429.502 0.240 30 10 ICEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)CC1 1858309084 NVAOTPYTKGUSNZ-MRXNPFEDSA-N 440.547 0.109 30 10 ICEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871508966 HWPHIMYWWOZQBN-UHFFFAOYSA-N 449.537 0.284 30 10 ICEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247882004 ILZVRJPRKQWYOM-UHFFFAOYSA-N 435.233 0.432 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628560 JJSRMGLOZKBWJA-UONOGXRCSA-N 436.318 0.809 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CN(Cc2ccccc2)C1 2255931064 FKWUUTIIOUACEI-UHFFFAOYSA-N 447.370 0.525 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267605187 SRMPLQUAIXEWJO-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE C#CCOC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286039547 FUOKDWBHQWSSAR-GOSISDBHSA-N 438.502 0.898 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478750445 YYZXXSDPHVCOOO-MRXNPFEDSA-N 427.530 0.671 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(C(=O)NCC)C3)nnc12 489635489 FQBUDLMOQQKUSI-UHFFFAOYSA-N 426.502 0.917 30 10 ICEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 578286686 GSYPFGLVDAMBBC-INIZCTEOSA-N 447.561 0.428 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O 608910660 BPBVYADTELCXEM-UHFFFAOYSA-N 442.541 0.440 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1C[C@@H]1CCCO1 619537611 IKYNGTFUBPQEEN-AWEZNQCLSA-N 433.917 1.000 30 10 ICEE C#CCN1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 733160875 FMBCUMCWAGSDKQ-UHFFFAOYSA-N 442.335 0.580 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCc2ccc(Br)cc21 737304686 AHJRJCKOVYEGOL-FOCLMDBBSA-N 433.262 0.981 30 10 ICEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 743908341 CQFADRRALNZHLC-KDOFPFPSSA-N 441.488 0.505 30 10 ICEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1180988431 DVKIXRQLMZUIPZ-UHFFFAOYSA-N 431.474 0.547 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1286376320 JRAPSKGZXDNSML-KRWDZBQOSA-N 437.497 0.876 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286746100 OMXUQPQCNXMINK-UTKZUKDTSA-N 445.545 0.971 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1286793122 SLBKOWNEHIHYQA-YWZLYKJASA-N 430.513 0.702 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1296328949 GULKNGMPHICAMU-MSOLQXFVSA-N 446.533 0.750 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1300501079 GXBQFJFTVAAMNO-GDBMZVCRSA-N 448.574 0.539 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1300630585 FEYBTBBVHCIBIF-VQIMIIECSA-N 425.555 0.886 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1300695752 IJEFPVQOMQXZAZ-UHFFFAOYSA-N 437.529 0.964 30 10 ICEE C#CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1300776215 GPVSPKCQSPSCNK-YJBOKZPZSA-N 428.580 0.920 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301490941 IYOOCZBIYSKZPX-FQEVSTJZSA-N 426.481 0.390 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccco2)CC1 1359040805 GWXKPMZZKLBDCC-AWEZNQCLSA-N 434.522 0.495 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1464747039 GXCPISVHJBCXEI-SJORKVTESA-N 428.942 0.672 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(CC)C2CC2)CC1 1507739992 HTGQMZSHPZUOIO-UHFFFAOYSA-N 441.580 0.851 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NCC(F)(F)F 1508409161 ANJPPAFYZXTFAE-UWVGGRQHSA-N 425.437 0.163 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1509430889 CEYRDIHVXWTKJX-IKGGRYGDSA-N 441.602 0.841 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539453778 QYNMJEHENAFRPO-QURGRASLSA-N 446.515 0.546 30 10 ICEE N#Cc1cn(CCO)c(=O)n(Cc2cc(I)cc([N+](=O)[O-])c2)c1=O 1559440076 BPLZBMFGRMHIKE-UHFFFAOYSA-N 442.169 0.435 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595569555 JFAJYEOGZMVOCD-VQIMIIECSA-N 442.568 0.599 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cc(Br)cc2F)CC1 1622257009 QNWOTNXOIOHTMY-UHFFFAOYSA-N 436.278 0.783 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1623849486 ANRHJDNHXDIWGW-QGZVFWFLSA-N 449.920 0.595 30 10 ICEE C#CC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1633560319 YVAYEYFNNXVXDS-OAGGEKHMSA-N 426.535 0.643 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1635994252 ZYDGENIYTSHMOI-UHFFFAOYSA-N 447.540 0.090 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689980599 VBYRWAUHEYDGNO-RRFJBIMHSA-N 443.595 0.561 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689995859 BFTBHHPUVVMQPF-QZTJIDSGSA-N 448.593 0.512 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1690659245 NWBJSRLJFDTGES-OAHLLOKOSA-N 441.540 0.640 30 10 ICEE COC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697082690 VWOZXSYOSVDOJK-ISLYRVAYSA-N 429.481 0.645 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)C1 1698311001 HQSJWJCKLKUNRV-HOTGVXAUSA-N 435.554 0.641 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705568432 NNDHVUNEXRRTFK-QZTJIDSGSA-N 448.593 0.512 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1705612925 SJEKEWPZHFFLNY-QGZVFWFLSA-N 435.554 0.735 30 10 ICEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1705885587 XQAAXRHNUVZRMZ-UHFFFAOYSA-N 435.550 0.842 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1706854247 FYIHFRGWXYZNOI-FOIQADDNSA-N 447.565 0.463 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1722559980 NNKOLTJJZFKQFR-OAHLLOKOSA-N 448.549 0.957 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1724009270 DGNZWQCGBHDATC-YOEHRIQHSA-N 429.568 0.745 30 10 ICEE Cc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724683670 LLOGWRXZLCGLRA-QZQOTICOSA-N 435.488 0.640 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](COC)OC 1730476021 DTCZYKDWQQBMSP-AITUJVMLSA-N 434.541 0.840 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740626205 KHYBRMGRVMQPAJ-JKSUJKDBSA-N 437.566 0.571 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1740640070 ICLPHLFLOCXPMQ-MRXNPFEDSA-N 448.574 0.751 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740961783 IRTQVVISISMBGV-UHFFFAOYSA-N 449.519 0.691 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)C)CC1 1749303312 IACNGWPRHKCCGP-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749457516 MGQIWIYWGRYOBV-ARFHVFGLSA-N 442.538 0.133 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749731502 FUULPGFDTXCTNA-LSDHHAIUSA-N 436.538 0.031 30 10 ICEE CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1760585844 DQJFJNJXVCJNOB-ZIAGYGMSSA-N 425.559 0.743 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@H]1O 1767922165 UZPDUQLDNNNJSF-CEXWTWQISA-N 441.488 0.982 30 10 ICEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCOCC3)OCC(=O)N2C(C)C)cc1 1889253775 BNJBPFATGVRJLO-FCHUYYIVSA-N 429.517 0.824 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248429211 JWRPSUWEJKZCMX-LLVKDONJSA-N 440.331 0.834 30 10 ICEE Cn1nc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255623566 OUVQYZLGVXVJQG-KGLIPLIRSA-N 436.318 0.741 30 10 ICEE Cn1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822837 QAUHUPILMVPIMC-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CS(=O)(=O)N1CCN(C(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)CC1 23243372 GJNLLVJFSJQMLZ-UHFFFAOYSA-N 447.542 0.580 30 10 ICEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)s1 410145882 QCFUAXPIMQUJFV-UHFFFAOYSA-N 431.540 0.549 30 10 ICEE Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5ncccc5C#N)CC4)CC3)ncnc21 503233408 FCXSMGGRWDXFAQ-UHFFFAOYSA-N 446.519 0.101 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(C)CCC)C1 508889939 VDJOBZDYFOKCDF-IAGOWNOFSA-N 426.587 0.965 30 10 ICEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 518018839 BTQBKYQAOZNGSE-AWEZNQCLSA-N 425.470 0.751 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)cc2C1=O 544820013 ODZMAPHSWYPHDM-UHFFFAOYSA-N 431.514 0.804 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C#N)cn1 568928337 WWQPZEXAKXEOBY-UHFFFAOYSA-N 429.502 1.540 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOCC)C1 580966016 XQJPOVVCNPMWNM-DLBZAZTESA-N 443.570 0.819 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 603797988 PZEKIPPJTHHDPQ-UHFFFAOYSA-N 441.557 0.056 30 10 ICEE CN1CCN(C(=O)c2ccccc2NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732415772 DCJDDHYGGNBHSA-VHEBQXMUSA-N 426.477 0.722 30 10 ICEE CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 735198279 DYOSBWIHGGMPCS-SFCSZEEOSA-N 428.536 0.323 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCC2CS(=O)(=O)C2)C1=O 786689557 WUASJXXEKXHXRM-OAHLLOKOSA-N 439.515 0.918 30 10 ICEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 793938428 TZIQXGNHTCXPOR-CYBMUJFWSA-N 430.486 0.969 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286389884 SCWRLKMJECCUPV-LZLYRXPVSA-N 446.533 0.413 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286411083 MCDOGVLBOSKJDB-UHFFFAOYSA-N 441.495 0.600 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1286429510 CBZFCOICKVKOIZ-FHWLQOOXSA-N 449.577 0.625 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286833224 XHOWXGGXADDGDX-UONOGXRCSA-N 434.609 0.723 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301458951 LJLJNOUEJGLKGD-GJZGRUSLSA-N 431.584 0.474 30 10 ICEE C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1302843893 PUKBHNBGSUVZIC-LFKKDODXSA-N 437.504 0.997 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358964760 GWTHYOWTRNSCKH-GHTZIAJQSA-N 445.545 0.696 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359337627 XCOHPLIUYOFSDV-DYVFJYSZSA-N 428.584 0.524 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C[C@@H](C)O1 1479157992 GBCOSVMEVVMUNZ-JXXFODFXSA-N 447.561 0.707 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1494321355 MYCBLJDEUJMGSN-BAEHRGANSA-N 443.508 0.759 30 10 ICEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1494600872 AORJZVSRSALRPN-AEFFLSMTSA-N 439.520 0.761 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1516854867 GCPGOGPDGLQPAM-WMLDXEAASA-N 448.505 0.459 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1540902716 OUSDRGQKRMALSZ-KRWDZBQOSA-N 447.565 0.948 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(OCC(F)(F)F)nn1 1584186833 ZBJUEMYWPLFNKX-UHFFFAOYSA-N 429.380 0.773 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1594661383 TUVRUHRMLUFGRE-HTAPYJJXSA-N 446.552 0.822 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1620352246 NWBIAEQXESSDMM-AEFFLSMTSA-N 426.477 0.846 30 10 ICEE COc1ccc(CC(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1645030224 ZEJQQDQGTRXBOK-UHFFFAOYSA-N 430.486 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1690146876 ZTDPAKLNECQOBC-KRWDZBQOSA-N 449.577 0.715 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1691003371 GNPJWJXCIZDRDM-PBHICJAKSA-N 434.522 0.961 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1705597444 GARAXSBDMHDQAU-LJQANCHMSA-N 448.593 0.560 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705637759 KNLXJQCPQVJNLB-SFHVURJKSA-N 448.506 0.974 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705908736 VCSIKRJJJGQIEA-OAQYLSRUSA-N 434.541 0.585 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)CC1 1705928851 VZVNPHOVQGCHLA-UHFFFAOYSA-N 426.587 0.795 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)c1 1712686710 CFQKPHYHMXUZAS-UHFFFAOYSA-N 426.458 0.798 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C1 1712876220 MZMGUGKMBBWCQE-QGZVFWFLSA-N 425.371 0.829 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1722368908 UJXWDGRZONETCC-SJORKVTESA-N 428.518 0.494 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1740683699 CQEQDXIZXPRQPS-GOSISDBHSA-N 445.545 0.961 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1748719397 WWHXSLWVCUTEPJ-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748823970 GIYMZPOQYUATIA-LSDHHAIUSA-N 442.563 0.334 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCN(C(C)=O)CC2)n1 1748970729 PJXVZUVENNMOMO-UHFFFAOYSA-N 428.541 0.233 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1760118163 ZGFONKLYZODCMJ-WMLDXEAASA-N 435.554 0.733 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1760187693 LKGPAKNDPDPODB-HOTGVXAUSA-N 432.481 0.438 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760525980 ZJQRCOQCATXXNL-UHFFFAOYSA-N 440.533 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1760554057 QDMWLSALLJJBRQ-UHFFFAOYSA-N 448.553 0.273 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1761362616 FAOVEAHHPBCYCV-SJORKVTESA-N 439.586 0.835 30 10 ICEE NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772792682 MEHUHWODLVHVTO-UHFFFAOYSA-N 431.426 0.539 30 10 ICEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C(=O)C2)C1 1856839751 MGKHUWBCQNXARL-IAGOWNOFSA-N 431.562 0.595 30 10 ICEE C=CCNC(=O)c1nc(C(=O)NCCN=c2ccc(=Nc3ccc(C)cn3)[nH][nH]2)cs1 1891165679 AIHTVTCMHBXUHO-UHFFFAOYSA-N 438.517 0.982 30 10 ICEE C[C@H](N)C#CC(=O)Nc1c(I)ncnc1I 1902011256 LDIXVUQUIUEAKI-YFKPBYRVSA-N 441.998 0.975 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2258959470 RPDZUAMBXJWZCZ-YCRPNKLZSA-N 438.330 0.860 30 10 ICEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 429461202 HTRWMULHKONDJX-HYVNUMGLSA-N 431.518 0.583 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 499583658 PHUNWPZLSQVOSJ-UHFFFAOYSA-N 447.499 0.557 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 512726634 ZQUDSMXSWLERDS-INIZCTEOSA-N 429.546 0.580 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 524281064 DWLBLDKCYKWNCW-UHFFFAOYSA-N 425.491 0.851 30 10 ICEE CCn1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 533136192 RPWWWQICMCUWRV-UHFFFAOYSA-N 444.517 0.863 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741218532 GIRGPHLGVSMPTI-JDAKFOBDSA-N 426.473 0.947 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 753789349 IHBUMMRHISUEPV-UHFFFAOYSA-N 434.543 0.043 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 765880310 GKQPLMWUTYQDDT-NRTINQSCSA-N 441.488 0.282 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 791209851 PZFMFUINEWEJPS-INIZCTEOSA-N 430.461 0.782 30 10 ICEE C[C@H](C(=O)OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)n1cnc(C#N)n1 798747994 QCDUAPSLKWCRGI-OLZOCXBDSA-N 437.503 0.531 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 810646891 WNJJXWKCZQOZEV-ZDUSSCGKSA-N 449.348 0.376 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)cc2C1=O 816461674 USXSSDOMHSHDRN-ZDUSSCGKSA-N 430.442 0.745 30 10 ICEE N#Cc1cn(CC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(=O)nc1O 1136521430 DIEAZKLVBCFLDO-UHFFFAOYSA-N 427.852 0.466 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1cccnc1 1153865513 GUZDYPZANQKBFJ-ATLSCFEFSA-N 429.477 0.855 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1286400691 DUGSWRBNFRUKOY-UHFFFAOYSA-N 428.514 0.963 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1286478908 DJCVZTVVCWEPSB-LJQANCHMSA-N 438.532 0.840 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286495458 WLUZTVTZVPNXOV-LJQANCHMSA-N 437.591 0.896 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286705752 DWTWZCZGJVGAQK-UHFFFAOYSA-N 440.570 0.579 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1300312204 YBKMCCXJSTZREM-STQMWFEESA-N 439.460 0.995 30 10 ICEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300982716 OTYZXTWJSYALRK-HNNXBMFYSA-N 428.468 0.824 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1301478040 GZKDYOIGESYOEY-UHFFFAOYSA-N 428.453 0.116 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1301482800 ZXXNWVHGIXDPQA-YOEHRIQHSA-N 446.483 0.811 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1301589810 XRBZGSCKZTWUIE-ILXRZTDVSA-N 430.552 0.149 30 10 ICEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1316137992 SGWNRZASWVMKEM-VXPUYCOJSA-N 445.524 0.298 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359048204 IRSMNDWMTSGKHR-OAHLLOKOSA-N 425.580 0.894 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1359332879 JFBODZBAJSDQJK-IAGOWNOFSA-N 427.571 0.540 30 10 ICEE C=CCN(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1359874837 DIEHGLFSXPXJCP-CQSZACIVSA-N 434.561 0.918 30 10 ICEE N#Cc1ccc(NCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)nc1 1441402272 FTSITOIRVLOKSO-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sccc2NC(=O)c2ccncc2)CC1 1471451144 OHETXBZVNWPVSK-UHFFFAOYSA-N 433.515 0.621 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 1508123465 IJUDBXBAPZGVRH-ZACQAIPSSA-N 441.554 0.571 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1510217520 HOHZXXJRBJVLDJ-PBHICJAKSA-N 445.549 0.939 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539517956 ULLLTYOCIMVNJG-LSDHHAIUSA-N 446.620 0.560 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCc1ccco1 1539538048 AZQIDLCSNCHFLT-AUUYWEPGSA-N 434.522 0.790 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1540874622 MWRSEGSTANVZJL-UHFFFAOYSA-N 438.492 0.492 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1541927704 ONEFRTYETRVISL-ZQIUZPCESA-N 442.517 0.873 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(S(=O)(=O)NC)c1 1587662106 KSUUOINLKSTTMA-OAHLLOKOSA-N 430.534 0.815 30 10 ICEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1587894299 RXLYFDACMCZFRE-IERDGZPVSA-N 430.509 0.816 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CC1 1588805881 CRWGJNUSHIAEOH-SFHVURJKSA-N 427.553 0.823 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCn2cc(CO)nn2)CC1 1588946326 BKBWFVQZMHFJFV-UHFFFAOYSA-N 428.541 0.617 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)C1 1595723063 QOSWLFPNXPVZJA-HOTGVXAUSA-N 425.555 0.876 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)s1 1633100241 YJNXESRMODZAIP-ZDUSSCGKSA-N 436.577 0.417 30 10 ICEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1689924479 JAFJUENCUVYYOK-KRWDZBQOSA-N 445.549 0.779 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CS(C)(=O)=O)CC1 1689954074 KKDTVQACQCQMMC-UHFFFAOYSA-N 426.506 0.815 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690677880 CYVNGIRLSQHBHD-HRAATJIYSA-N 434.541 0.678 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690722328 FTKSMZLEINRSAK-CABCVRRESA-N 432.506 0.876 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1705563604 AUAOZEWKTPAHGH-QGZVFWFLSA-N 432.550 0.545 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1705568805 VMFJDXVGSVVEGZ-IRXDYDNUSA-N 437.566 0.842 30 10 ICEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705615303 ORTQVXNWTLLOKB-UHFFFAOYSA-N 431.500 0.987 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705736669 ZEXLZZIPLBVRCU-MRXNPFEDSA-N 426.481 0.801 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1705875637 AWCGDCKQUCCLKV-IRXDYDNUSA-N 441.554 0.595 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705899568 XRHHJSYDURJQHL-AWEZNQCLSA-N 449.533 0.888 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1712880741 GIXBUICMUXINRZ-HNNXBMFYSA-N 435.531 0.486 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722366663 SBNMGAMOBVATKM-MDZRGWNJSA-N 426.539 0.592 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(C)CN(C)C2=O)n1 1722429174 IEMQFZFWDKNSAL-JTSKRJEESA-N 441.536 0.743 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722728840 YXNRGOLXLPLIDM-HUUCEWRRSA-N 434.584 0.990 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722740545 QAJAXEZURZJUMW-AWEZNQCLSA-N 428.584 0.666 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C 1730749965 FXVNTAYAYDZPDT-QGZVFWFLSA-N 425.493 0.842 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1740589962 DPHPYCMXSRWXHK-GOSISDBHSA-N 447.565 0.927 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740622914 KVLXFLLFURSDQA-HIFRSBDPSA-N 448.574 0.923 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748820670 GTRQZKYCBPICOZ-KRWDZBQOSA-N 445.549 0.232 30 10 ICEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC 1749148762 FIAFUKMOLXICNQ-UHFFFAOYSA-N 431.526 0.872 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC)C1CC1 1749519730 QWEVKRKKOPQRRO-HNNXBMFYSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749671018 XWBATZGEFAVXAT-UXHICEINSA-N 440.548 0.940 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760564622 CVKJSGWZYXFMPF-QGZVFWFLSA-N 447.609 0.893 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1761264266 KWOXBVWEHLVKJQ-INIZCTEOSA-N 427.509 0.942 30 10 ICEE CCCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)C1 1856839012 XVLGMFYYUTTXRT-LJQANCHMSA-N 432.546 0.976 30 10 ICEE C=CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 410074040 JTXARKHLWOYQEO-SFHVURJKSA-N 437.562 0.970 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(c3cnc[nH]3)CC2)CC1 434980110 ARFTYHXHTAKLHV-UHFFFAOYSA-N 442.545 0.994 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 508829039 XJPIPEADHVFEHD-BBWFWOEESA-N 442.586 0.342 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cs1 514916364 KFNFWQAHLZREEE-OAHLLOKOSA-N 430.555 0.979 30 10 ICEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(c2ncccc2C#N)CC1 533223919 AQWORHWFIFXBSZ-CVEARBPZSA-N 442.545 0.989 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C[C@H]1CCCO1 590915560 AZTGJVNJVQHHGC-GFCCVEGCSA-N 447.900 0.720 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 603989829 JXWMJEAKFWABGZ-QGZVFWFLSA-N 437.521 0.829 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 747833243 UPPWGNXMRCZCHS-GQTOQBHESA-N 440.456 0.708 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CCN1CCOCC1 762990405 MFYZMEVGNVIFRP-UHFFFAOYSA-N 443.891 0.933 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cnccn2)cn1 774584000 WEQFGPFVADQNDZ-QGZVFWFLSA-N 444.565 0.935 30 10 ICEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)[C@H]1CCCO1 808746661 TZTOPZHNZIXEAB-UYAOXDASSA-N 435.546 0.932 30 10 ICEE CCc1noc(C[C@]2(O)CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 856697645 YPSLPZBXCNGAPD-HXUWFJFHSA-N 447.517 0.657 30 10 ICEE N#Cc1cc(Br)ccc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1136325969 OXQFPKNYFSSIPD-UHFFFAOYSA-N 433.262 0.754 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1136632758 KMMIAOVTWMPCSK-UHFFFAOYSA-N 445.321 0.927 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C2)c(=O)nc1O 1224299571 QWCJLGWBSSMRRG-NSHDSACASA-N 446.826 0.985 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286607719 JYMGTGTYKWOZIS-DLBZAZTESA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286819594 PFHXBAMZZFLMSW-HOTGVXAUSA-N 446.533 0.883 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1300308849 DKTOEMPMDRBSMF-TZMCWYRMSA-N 439.567 0.472 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1300602024 NNVYSSABMXLZLB-HOTGVXAUSA-N 435.554 0.748 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1301515196 QZGSVNBMTPGZES-UHFFFAOYSA-N 446.483 0.593 30 10 ICEE C[C@@H]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1304965819 CLUSFDCELRPOID-LTIDMASMSA-N 438.554 0.776 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2COC)CC1 1309226998 BTBFFHZRYHTGQH-UHFFFAOYSA-N 437.518 0.065 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1316270439 XKUNTLPZHOFWDF-JYJNAYRXSA-N 441.554 0.538 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)CC1 1359036226 QQSAALQYBUGSEL-GOSISDBHSA-N 443.577 0.445 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359126520 RXSMNDMKZPDAMB-INIZCTEOSA-N 447.540 0.776 30 10 ICEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 1463162529 BQYWGBNTXLKURF-YWCWZJBTSA-N 433.530 0.749 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1471451223 PZWSPUAFDBDBEL-BEFAXECRSA-N 444.554 0.013 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1499300851 GOCAAHINVVWVGD-QGZVFWFLSA-N 446.533 0.593 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1502207915 YDBWSIVSKRFKOI-FOCLMDBBSA-N 438.554 0.973 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507637132 IBHALYAFEMRYJK-FGTMMUONSA-N 437.566 0.477 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508071320 IGYQCJBEFFLAFZ-AWEZNQCLSA-N 426.543 0.122 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1539265419 FWNVWVFXXPEUJV-IRXDYDNUSA-N 437.591 0.827 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539453777 QYNMJEHENAFRPO-DQRAZIAOSA-N 446.515 0.546 30 10 ICEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540040508 WOEGPNVBUNCULE-INIZCTEOSA-N 430.534 0.670 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540867585 AERIDIZXFQESOW-OAHLLOKOSA-N 448.549 0.774 30 10 ICEE N#CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1588263807 YJLCUEMAILHLKK-ZBFHGGJFSA-N 440.909 0.048 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594783849 KEFONDLJAHFJTE-RDTXWAMCSA-N 426.543 0.197 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1595569904 QNZGLAQXQPBARU-UHFFFAOYSA-N 440.552 0.937 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595785297 VUDLQMUGLBBVGK-MRXNPFEDSA-N 439.563 0.954 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1617794040 OZMKDDQJUMRQHS-LJQANCHMSA-N 440.504 0.917 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cc1 1624129114 AQTOUOUTDQIHKN-KRWDZBQOSA-N 429.502 0.372 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 1663863921 KXUDNEKEAQDQCA-UHFFFAOYSA-N 429.911 0.057 30 10 ICEE N#Cc1cn(CCNS(=O)(=O)Cc2ccc(Br)cc2F)c(=O)nc1O 1665118352 HPWPQXQYQUSKIF-UHFFFAOYSA-N 431.243 0.842 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 1673983139 XLZVASOBRBWQST-UHFFFAOYSA-N 433.534 0.816 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1689852538 GZTRNCZZRALTQV-NVXWUHKLSA-N 448.549 0.911 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689926128 JTKVKXOWTUAJBH-AWEZNQCLSA-N 434.522 0.889 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689985782 BHFJZPLUGNNEAM-INIZCTEOSA-N 444.561 0.956 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)Cc2ccccc2)CC1 1690130828 NJLZUWBUXUHTDA-UHFFFAOYSA-N 449.559 0.814 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)CC1 1690397278 ZRYVEUKQFHSHPC-AWEZNQCLSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1690724703 UVWNZIVEBVXTPD-HNNXBMFYSA-N 426.543 0.582 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711236097 QDKCWGMHMBENFO-FBMGVBCBSA-N 436.538 0.943 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722369259 WXCGRKILIDSTIS-CQSZACIVSA-N 429.493 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(CC)c2)CC1 1722442091 XZHUESQHQGAORY-UHFFFAOYSA-N 426.525 0.647 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1722527813 AVHWQGAPGAPGQF-UONOGXRCSA-N 428.515 0.122 30 10 ICEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1723120053 SJWPSNZSSNVTBA-JTSKRJEESA-N 437.504 0.371 30 10 ICEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1723713870 VKTMWPHZQIKZDZ-GOSISDBHSA-N 437.504 0.779 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1740551610 LMDKMOAEVCDQFQ-FUHWJXTLSA-N 444.561 0.918 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1740628478 QKNMULCYADSROW-YESZJQIVSA-N 426.539 0.493 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccco1 1740649079 NHBDKSBMRDIWSS-OAHLLOKOSA-N 432.506 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 1740701107 UUBRPIUOOKIVDA-LJQANCHMSA-N 444.561 0.863 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1748989137 GDCNSHQQWSPLBA-SFHVURJKSA-N 448.593 0.338 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)CC1 1760269386 GVBXXDTVJLTCEP-GOSISDBHSA-N 449.577 0.573 30 10 ICEE CCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764815049 IHWFNSDINBQGKW-DVSFIDLUSA-N 429.525 0.525 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1766725876 PQPCVSUDPRNDHH-UHFFFAOYSA-N 443.533 0.567 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CCO1 1767711881 CHPUBHLPUUOSQS-CEXWTWQISA-N 440.504 0.819 30 10 ICEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 1853503324 VPJGVFPGEFOMPA-MRXNPFEDSA-N 447.565 0.818 30 10 ICEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870666546 QMZJTKQUSKPWLK-UHFFFAOYSA-N 440.500 0.945 30 10 ICEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255619871 SZABOXFGOIAGFE-QGZVFWFLSA-N 425.342 0.913 30 10 ICEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 460607579 ODGDHSWLNGIRAD-KRWDZBQOSA-N 429.440 1.308 30 10 ICEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 590909174 BZZOPYGJXIWHDJ-UHFFFAOYSA-N 441.509 0.881 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664095 CEHRXMGEBCUGGV-FUHWJXTLSA-N 448.545 0.427 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 795823038 LTTMGXWVVLTLSD-UHFFFAOYSA-N 431.873 0.321 30 10 ICEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 814381402 CWYBEZKCQQDWLL-MRXNPFEDSA-N 426.564 0.982 30 10 ICEE C#CC1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)CC1 1130299680 SBVBSDXQWRXXET-UHFFFAOYSA-N 449.511 0.926 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)cc1 1140993491 JBEPKTXZJIYTNE-NDEPHWFRSA-N 440.543 0.515 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286607113 BFCBEDDDONYWCX-QLFBSQMISA-N 426.495 0.887 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1288775266 CNSIECODDLWOFA-AWEZNQCLSA-N 445.549 0.923 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1297776618 BLEJHJWVXOUPGM-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1300805453 DBKVYRVKROEWJN-WMLDXEAASA-N 429.568 0.064 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(C)s2)CC1 1301087123 VHTCHUAIACTCIS-AWEZNQCLSA-N 439.567 0.976 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1301478112 IHNYMUBRXIYJMW-UHFFFAOYSA-N 426.525 0.814 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1302093821 NVEXGWITCNWAAY-PZPFTHLGSA-N 434.541 0.719 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1359010461 QKZSNILEXRTTNZ-KRWDZBQOSA-N 447.517 0.848 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1359271814 DWSNRIVBAJWKSS-LPHOPBHVSA-N 425.555 0.950 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359293956 FZJMDUOXWAAPOL-CALCHBBNSA-N 449.533 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359335128 BPOISNJYBASUBF-QGZVFWFLSA-N 432.568 0.100 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 1449422340 HFTQSEBQPRWREA-UHFFFAOYSA-N 437.522 0.733 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CCO1 1503770125 DBEVFCGODKRUCN-SFHVURJKSA-N 437.504 0.827 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)NC(C)C 1513923222 HKCIRYCYEYRWDW-OAHLLOKOSA-N 447.569 0.545 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1539498342 SMFSVYYEFYRMAG-CYBMUJFWSA-N 428.584 0.360 30 10 ICEE Cc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542753836 QGGALRGCKALEQI-DQRAZIAOSA-N 449.515 0.982 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NC(C)C)CC2)c1C#N 1543001903 HHLUAYFYUINIKU-INIZCTEOSA-N 441.540 0.547 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1548334850 KPUBGOTZJHINRK-CALCHBBNSA-N 432.506 0.708 30 10 ICEE CO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555780745 ZIEJAEGQWGBUHD-DCOQFNDQSA-N 429.481 0.266 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1 1569042137 XGQCNKQKPIKWJB-KRWDZBQOSA-N 429.502 0.366 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1569560546 KIJOGAYEIKNRRW-BUXKBTBVSA-N 429.470 0.441 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1588138731 IAWCWSIQGUWFIK-QGZVFWFLSA-N 434.566 0.168 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CCO)CCN3CCOCC3)C2)C1 1596650428 PSQABTWFLVGCCK-DKTYTTGXSA-N 436.553 0.926 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1620635251 HPNPRYRLRWDHFR-HNAYVOBHSA-N 426.539 0.326 30 10 ICEE C#CCN1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1629542663 XCWXXJHSNANHAV-OXQOHEQNSA-N 425.551 0.436 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(Cc4ccccc4Cl)nnc3C2)C1=O 1638552094 HMPMIRAMUQWPKX-UHFFFAOYSA-N 442.863 0.841 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c(=O)nc1O 1641034327 ZPNJDUNSICTANI-GFCCVEGCSA-N 446.261 0.752 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)cc1 1645353063 JGCRDLOKUXHXDC-INIZCTEOSA-N 429.502 0.801 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689990067 LFOVEUGGUTVUNY-AEFFLSMTSA-N 432.550 0.889 30 10 ICEE C#CCSCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186445 QHUNBKYNEFCNIX-OXJNMPFZSA-N 437.566 0.636 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1690669256 ZGWNPWYWPVFXFB-ZDUSSCGKSA-N 448.553 0.241 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1690720574 MODCYFMFDYBSGI-UHFFFAOYSA-N 445.549 0.935 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705539217 MFHKIDJMGXWRRP-JOCHJYFZSA-N 432.569 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705903197 RCGACJNDYYGCEB-DLBZAZTESA-N 433.557 0.121 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1722296329 OYWAGFQTZRXBRU-QAETUUGQSA-N 425.555 0.884 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1740717408 RQVYJPJUCOLANI-INIZCTEOSA-N 425.580 0.605 30 10 ICEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1740884452 BEANXSPPQGZSQP-MRXNPFEDSA-N 432.481 0.550 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)C1 1740988328 APFVSXZTUSBGCQ-UHFFFAOYSA-N 433.490 0.553 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](COC)OC 1749067554 UHIRUJOTNNGVRA-FRQCXROJSA-N 441.554 0.265 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749668920 GKUBLSLTBSIBEN-LSDHHAIUSA-N 425.555 0.734 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCOC2)c1 1760128156 ABSMJVBQZOXUGF-VGSWGCGISA-N 438.488 0.437 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1760175942 VQKTZVPKGRGMAV-QGZVFWFLSA-N 446.533 0.088 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1760187617 KLWXOMCLTFZJNO-IRXDYDNUSA-N 426.539 0.462 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCS1(=O)=O 1763095602 HYOBREZAGOLXDH-UHFFFAOYSA-N 447.569 0.116 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1764188274 SECGALLKNLTWRJ-KKSFZXQISA-N 429.525 0.936 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771535823 AHZONOPTLUQOOF-QAPCUYQASA-N 437.909 0.877 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1852876684 OIBLQPVKWJOQHY-UHFFFAOYSA-N 429.546 0.989 30 10 ICEE COCCN(CC(=O)N1CCCC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)S(C)(=O)=O 1855407478 KTVVBNMLYXOHFL-SJORKVTESA-N 440.566 0.428 30 10 ICEE C=CCn1ncc(NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234025472 KQQHALXPALBUEU-MBNYWOFBSA-N 445.314 0.945 30 10 ICEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286052190 VMURJRIBJDILJL-MSOLQXFVSA-N 438.502 0.898 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2[C@@H]1[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@H]1O 28630627 DRKMHDAKULCOKQ-UHWHQUHESA-N 442.424 0.558 30 10 ICEE in-vitro C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)CCOC(C)C)CC3)cc2C1=O 473547159 HEPSHTOVZCEACF-UHFFFAOYSA-N 449.529 0.981 30 10 ICEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 481067841 DVTLGHCFKUGCCG-UHFFFAOYSA-N 438.506 0.997 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cc1 488275353 WPUWHOYQQAXEJB-UXHICEINSA-N 439.516 0.940 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 512721573 WOGDGCVTLICALL-MRXNPFEDSA-N 427.530 0.431 30 10 ICEE C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518558048 WOGLPCWOJZKAJE-QGZVFWFLSA-N 434.566 0.210 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)CC1 575746519 BFDQVZGPDHCCDD-CYBMUJFWSA-N 430.408 0.554 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(CC(C)C)s2)c1=O 758088289 DMOAMIDDFPKPIX-UHFFFAOYSA-N 430.555 0.464 30 10 ICEE Cn1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C1CC1 770721910 WKYIRYMYSJAEAB-UHFFFAOYSA-N 442.501 0.641 30 10 ICEE C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC)[C@@H]1CCS(=O)(=O)C1 799306910 AIUVPVDLXYIJBA-MRXNPFEDSA-N 447.600 0.766 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CCOC 812133400 JMOOFWYSQIZZMI-UHFFFAOYSA-N 443.529 0.685 30 10 ICEE C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 917139854 JBXAWFABNKZYJF-OAHLLOKOSA-N 429.564 0.396 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1286793094 RIBNZHZXAAKQLD-SPEDKVCISA-N 448.568 0.389 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1298568996 DVZFHIRTKREKSZ-JOUJLLDFSA-N 429.481 0.228 30 10 ICEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300347576 BLIFWDCQSGSKNC-HNNXBMFYSA-N 427.896 0.944 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccccc1 1300505693 FTKHETVAUUKOBY-UHFFFAOYSA-N 428.518 0.468 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1300577800 BWKUOVBQMVAVFV-GOSISDBHSA-N 430.534 0.534 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301498525 PVBGJDXQZMLFPG-CQSZACIVSA-N 432.529 0.162 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1301596441 PCNJPBTZJMTHSI-UHFFFAOYSA-N 438.554 0.697 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 1302924336 KRGBDGVVCUGGDC-UHFFFAOYSA-N 430.324 0.612 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)C(C)C 1312809021 XKEBZQWEISYUJV-GOSISDBHSA-N 435.550 0.592 30 10 ICEE CC1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1319945034 FFBVMYIXRYGBOB-MRXNPFEDSA-N 427.548 0.920 30 10 ICEE C=CCn1c(Cc2noc(CS(=O)(=O)NC(C)(C)C)n2)nnc1N1CCOCC1 1337901804 KSXCTXUDEWNEDB-UHFFFAOYSA-N 425.515 0.492 30 10 ICEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359225045 LFBKFPZIAHFSPW-UHFFFAOYSA-N 439.520 0.860 30 10 ICEE Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1S(=O)(=O)N(C)C 1463034465 DRPRGOWUVJJTQY-UHFFFAOYSA-N 436.515 0.923 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1471451767 YFUYFLVFGPXXGH-KXBFYZLASA-N 426.539 0.245 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1507636714 JIGBYSWINGUXQM-INIZCTEOSA-N 426.502 0.966 30 10 ICEE Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511896484 ANTKNYNXOMWCHZ-NXDJFEHLSA-N 442.524 0.695 30 10 ICEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539512875 GOFUFZPPQFWHTR-UHFFFAOYSA-N 429.554 0.637 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1539516945 GKISTQCZZKOHJA-LSDHHAIUSA-N 445.636 0.919 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1540902601 MUPOPLOTPSRLGT-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)C1=O 1587334989 PPAGVVACAAWKIE-SSEXGKCCSA-N 435.462 0.317 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1593636147 IDEMWNSVQWPANV-LVYZTWJOSA-N 425.555 0.784 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1595796650 AWKBZGYFGBEGAK-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595812232 PVWKFYDCJUADPB-INIZCTEOSA-N 439.563 0.488 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1617366930 BMJGOINZOOYVTD-UHFFFAOYSA-N 437.570 0.974 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1640201500 JABXMZGFUQYAAT-JOCHJYFZSA-N 447.536 0.426 30 10 ICEE Cc1nnc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1C 1640525827 WHLXUACTFQVZHC-QGZVFWFLSA-N 436.476 0.549 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 1643372251 COJDCQDLAKNSIN-UHFFFAOYSA-N 445.295 0.891 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](O)CS(C)(=O)=O 1648135633 KXOKHSPPEGFXAM-NSHDSACASA-N 435.296 0.620 30 10 ICEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1nnc2c(=O)[nH]ccn12 1654676307 FEWIUPHQTLZGQF-KRWDZBQOSA-N 438.467 0.398 30 10 ICEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1657038911 PWCOLKVEPHWFPS-UHFFFAOYSA-N 427.548 0.083 30 10 ICEE C=CCn1cc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)nn1 1664570984 PVUCSCOLUIAEQE-MSOLQXFVSA-N 435.506 0.920 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186126 LQGOORBJDSYSLJ-OXQOHEQNSA-N 434.566 0.899 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1690245511 JJYYBGUCAZVZOI-OLPIVMHESA-N 437.566 0.863 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCN(C)C1 1690264713 BBDNELHCZDRVMO-APWZRJJASA-N 442.586 0.080 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1698063379 XDLNCXQHNAQWKU-UHFFFAOYSA-N 433.538 0.859 30 10 ICEE COCCOC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1698182138 VTTLGRBRKUZMMM-KRWDZBQOSA-N 448.524 0.455 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705567728 ZWLKYZTZZGHKOA-MRXNPFEDSA-N 426.506 0.338 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1705635000 OOLPEBGWIIXHPP-HSZRJFAPSA-N 438.532 0.833 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705730365 IRQFYARGDZSCAN-GJZGRUSLSA-N 449.599 0.494 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705903064 PISOOKXJBSCSRE-AWEZNQCLSA-N 432.554 0.825 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCOC2)C1 1705936561 TWDBTHBLQPZRJA-APWZRJJASA-N 426.539 0.769 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CC1 1722438603 ZXYWMPZAGPNJKS-SFHVURJKSA-N 446.533 0.095 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1722640356 LXZLCQOXFJNLEC-OAHLLOKOSA-N 426.543 0.292 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C1 1722712882 BBBNZMQWYSLATB-QZTJIDSGSA-N 431.541 0.175 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(C)(=O)=O 1726998874 AVMUWGSCAHIRMF-OAHLLOKOSA-N 432.554 0.934 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1740664288 LHTQMSISQIOJRJ-UHFFFAOYSA-N 439.563 0.700 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1740697856 IBEKOUFCAGBPDK-UHFFFAOYSA-N 432.550 0.080 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740885980 SMIMKWMBTZPYJD-QVKFZJNVSA-N 445.524 0.636 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740959711 DAQJAEFNSSTXPP-GOSISDBHSA-N 445.568 0.219 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1749067386 RYBGZSIIFMJMDP-CKFHNAJUSA-N 434.522 0.161 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760544485 ASCWLIXUFYTAAM-HNNXBMFYSA-N 434.522 0.456 30 10 ICEE CN1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2267139258 DHGVZIAOFNOQCL-NSHDSACASA-N 445.251 0.144 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 440371684 CEIJOLWJKVOXIE-UHFFFAOYSA-N 430.530 0.173 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2=O)cc1 485720354 YIYXOZPJVLPVNP-LJQANCHMSA-N 433.534 0.248 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 603798479 MKADMLOWNLQNRG-MRXNPFEDSA-N 443.525 0.363 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 610244859 DHMLIPBIOKQTLB-OAHLLOKOSA-N 449.479 0.982 30 10 ICEE C#CCN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)[C@@H]1CCS(=O)(=O)C1 751273656 JUNHKMQIRBJZEK-CYBMUJFWSA-N 439.540 0.561 30 10 ICEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 774015974 RIOCOQNCTANTPI-MRXNPFEDSA-N 441.531 0.362 30 10 ICEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 779756778 VCUNGGXQVBFNNC-GALDBLJUSA-N 440.547 0.473 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1116469450 CHNVYXABCDXMTC-HNENSFHCSA-N 442.501 0.317 30 10 ICEE N#Cc1cn(CCC(=O)NC[C@H](CO)Cc2cccc(Br)c2)c(=O)nc1O 1154171221 FZBKHEASVQOQEI-CYBMUJFWSA-N 435.278 0.941 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1161952902 IAZYSHAXNPOHTK-CQSZACIVSA-N 425.532 0.795 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ccccc3-n3ccnc32)CC1 1231317894 NEJGPCYQVOOTJM-KRWDZBQOSA-N 428.518 0.654 30 10 ICEE C[C@@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1288897669 AHFHWNAJKUIIBX-VQIMIIECSA-N 438.554 0.512 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1303488459 AWJVHOHTOXZUML-IBGZPJMESA-N 440.570 0.998 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965404 UQUYEAFOHBJNIU-IBGZPJMESA-N 428.562 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1358979422 LZGRFDIUIQNMAJ-GOSISDBHSA-N 435.550 0.501 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1359010078 GDAQNGQZEOVYKC-OHZJNBGDSA-N 445.611 0.618 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1 1464343787 WBKNHNDDNHZUQE-MPUISCFQSA-N 428.536 0.910 30 10 ICEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1502540787 LQSKWGXQUCRRHM-QGZVFWFLSA-N 437.504 0.779 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCN(C)C2)CC1 1507721805 YUSTZFKMIIFVOB-OAQYLSRUSA-N 425.493 0.675 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507739254 CYXJWRXRPYYEIN-KRWDZBQOSA-N 448.593 0.478 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508018558 GEFUWFXNXNZMPE-UHHPSXQGSA-N 446.533 0.885 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508130456 ICRZXNNAVLBIFZ-GOSISDBHSA-N 440.526 0.048 30 10 ICEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510067798 XYMGFECONGMSQJ-ZIAGYGMSSA-N 445.549 0.665 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540035472 CXMOSXHFGAWUHT-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540901523 GLLTXLITKPVICS-QGZVFWFLSA-N 447.565 0.494 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1554489229 HICPOWAYBUAYOR-INIZCTEOSA-N 425.493 0.827 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588733266 PXCWYIGSSFPMLS-IBGZPJMESA-N 430.601 0.198 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)N(C)C)CC1 1588743258 YXQPRRCOFZCPPP-QZTJIDSGSA-N 439.630 0.620 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1595537549 SJQSRYQQBFBKLP-CQSZACIVSA-N 430.538 0.623 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1617486586 HEEABHLPNPSLRB-VBQJREDUSA-N 443.572 0.606 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1617708289 CJNCTMDZEAWCOP-UHFFFAOYSA-N 431.522 0.410 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)c(=O)nc1O 1648028690 KJROICLHXCWOJH-QGZVFWFLSA-N 443.485 0.447 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690667638 BSBDLFGCGHNNRV-HNNXBMFYSA-N 432.492 0.952 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690670480 CEXYYJLLOZUQPU-MSOLQXFVSA-N 447.584 0.511 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1690678407 VMWDZHVTOICTBI-HTAPYJJXSA-N 448.568 0.926 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1690724704 UVWNZIVEBVXTPD-OAHLLOKOSA-N 426.543 0.582 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1690725414 PEZJJMBDKYKJTN-SFHVURJKSA-N 432.550 0.970 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1696331761 JJJYHUFBSBIJRJ-IIBYNOLFSA-N 427.509 0.948 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1705907162 BWOXXAGMYBZEIT-LJQANCHMSA-N 440.548 0.895 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1722364584 IEWNEZIFOCEUQF-INIZCTEOSA-N 433.559 0.859 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722369093 YHBDFHANIBTTCH-PMPSAXMXSA-N 444.579 0.232 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722692874 ZLIMUALSBLXCIN-IAGOWNOFSA-N 433.557 0.266 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722728842 YXNRGOLXLPLIDM-LSDHHAIUSA-N 434.584 0.990 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1740554213 XJHHTFGSGAUBDX-YESZJQIVSA-N 447.565 0.528 30 10 ICEE C=CCCOCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1740888651 RALGMRMFMLLLRJ-OAHLLOKOSA-N 425.515 0.681 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740947366 YRNNXUWGXIYGIL-QGZVFWFLSA-N 447.565 0.821 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1740994097 IUPVCIMAACAHFF-INIZCTEOSA-N 435.554 0.407 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1748639446 HLPXLZMVRVGRKH-KBPBESRZSA-N 426.543 0.825 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748815473 QNIHPFOVCZROTF-MRXNPFEDSA-N 426.564 0.607 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748819750 SWYQQPGUHZMKFT-IBGZPJMESA-N 439.545 0.867 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749713866 ZUQYBQHMXMCHLT-CVEARBPZSA-N 426.539 0.503 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1760111715 RRSBMOHHBFQOJJ-AWEZNQCLSA-N 443.533 0.589 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1C(C)(C)C 1760174334 FTGBHVFDMREVSD-CQSZACIVSA-N 436.542 0.075 30 10 ICEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2cncc(Cl)n2)C1)[C@H]1CCN(C)C1=O 1857050160 FGHIABCFKZQSMP-CABCVRRESA-N 435.912 0.993 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1858334886 LGEJTOKVKYDDPS-OAHLLOKOSA-N 446.510 0.794 30 10 ICEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509109 LGMSHPCROZZDIE-UHFFFAOYSA-N 446.537 0.411 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)n1 2255839699 CBECKIYQNBRJER-VHSXEESVSA-N 429.208 0.102 30 10 ICEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[nH][nH]1 2267169989 PIBBZZUYTCYBFJ-UHFFFAOYSA-N 445.289 0.593 30 10 ICEE COc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc2c(C#N)cnn2C)cc1OC 16893332 WSLSUVARTNVUBQ-NSHDSACASA-N 435.462 0.689 30 10 ICEE N#Cc1ccc(C2(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 444028561 GRNDDJNFEOEHPH-GOSISDBHSA-N 430.530 0.037 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc1 603801144 YTVAQPVRNUPWKD-GOSISDBHSA-N 439.537 0.759 30 10 ICEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774147938 YGJGRIXNMFTKPW-UYAOXDASSA-N 435.546 0.900 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)c1 794578875 GCQNUFABWSFZAW-IAGOWNOFSA-N 427.526 0.926 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1=O 799941519 WSNJJLUGOCAYJV-KRWDZBQOSA-N 426.521 0.914 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1286296292 NXXPWIJYFYDPLD-XJKSGUPXSA-N 436.538 0.976 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286386734 GTPMAHRXAUGFQJ-KRWDZBQOSA-N 425.518 0.943 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286397951 VNYPKVRLGQQJHY-QZTJIDSGSA-N 449.577 0.986 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1286432180 ZXHGGJKLSJVDAC-MRXNPFEDSA-N 440.591 0.856 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286664451 WYMCARVMPQDGNI-MAUKXSAKSA-N 444.579 0.132 30 10 ICEE C=CCCOCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1286716321 KGENTIUBUMQDQY-CQSZACIVSA-N 425.515 0.681 30 10 ICEE C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777613 IOOHYXJSUHKUJR-QFIPXVFZSA-N 448.568 0.486 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286821773 UTHRLZIVLYAFCU-KRWDZBQOSA-N 445.549 0.421 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cs1 1290434940 AHLPDBNOOYFMKX-AWEZNQCLSA-N 425.540 0.254 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)CC1 1300709875 JFWMWGWFIWZMOM-UHFFFAOYSA-N 425.472 0.828 30 10 ICEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNS(C)(=O)=O 1302685945 VBDQGZZRZNEXLY-OAHLLOKOSA-N 447.569 0.718 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958782 VZMBLEABGDZTFF-INIZCTEOSA-N 447.517 0.332 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)CC1 1359035796 DVOHBPLJGDNPEZ-QGZVFWFLSA-N 434.522 0.008 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359159532 YDQWNIAXXWBIKD-GJZGRUSLSA-N 446.599 0.326 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359345816 RCLWDOFMGUKCTP-UHFFFAOYSA-N 447.565 0.840 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 1455115813 SDPXPQHKKWXQNV-UHFFFAOYSA-N 443.323 0.171 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)CC1 1460759679 TXRGJANBRFLNAN-FRIYVGAWSA-N 433.549 0.607 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1467814869 QTIVUKRIOMGFQS-UHFFFAOYSA-N 431.512 0.077 30 10 ICEE COCCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1468720294 AEFURMFTQVBCEL-UHFFFAOYSA-N 440.497 0.437 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507631866 GSZMNBQHQYUQLY-RVKKMQEKSA-N 426.564 0.277 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1507650955 YAYNUNMETNNAOP-INIZCTEOSA-N 432.506 0.353 30 10 ICEE CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1509756864 MONRDCLFAUTKCG-INIZCTEOSA-N 437.508 0.347 30 10 ICEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1519012453 FSKFXENRGKPPSY-SFHVURJKSA-N 437.504 0.780 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1588138521 FAVBELOHHCEVEO-IBGZPJMESA-N 439.541 0.612 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnc(I)c(O)c1 1632875498 RVEBZYMGLGJIDL-SDNWHVSQSA-N 428.186 0.648 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)CC2=O)cc1Cl 1640668120 DQLHJNDZVAARAX-ZFWWWQNUSA-N 439.925 0.739 30 10 ICEE C#C[C@H](CO)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1641574930 UEHJZDHBAKYTEC-PBFPGSCMSA-N 443.953 0.845 30 10 ICEE Cn1ccn2c(CCNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nnc2c1=O 1671577538 WGFLOFNJGLIYNP-INIZCTEOSA-N 434.460 0.337 30 10 ICEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCN(C)C1 1690046699 FMKRNUOUQFYOEE-DEOSSOPVSA-N 448.575 0.982 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C)c(C)s2)CC1 1690111408 BBTCBRZXBWWVAB-AWEZNQCLSA-N 437.595 0.765 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1705550960 CKMDLYZBJRFCIX-MRXNPFEDSA-N 438.554 0.083 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1705768904 CQMAKSGIMPKHMR-IRXDYDNUSA-N 437.566 0.832 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(COC)CC1 1705927827 HFHGWDUDWAFUFJ-UHFFFAOYSA-N 425.555 0.978 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCOC2)n1 1722429480 MQEAHSXTASSGCQ-PGRDOPGGSA-N 444.536 0.806 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1722691547 RFXREYHHIBMUGD-LLVKDONJSA-N 444.949 0.214 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1722699791 YQJYMBMELXIQMJ-INIZCTEOSA-N 433.490 0.328 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722727870 LYFMLJMTUXRJLC-RCCFBDPRSA-N 439.582 0.540 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1740554345 XXXVEWJRSUDYGC-WBVHZDCISA-N 425.555 0.886 30 10 ICEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1740906062 FCWISZZAPKKYDD-LJQANCHMSA-N 425.555 0.901 30 10 ICEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)N1CCOCC1 1741259983 DTWZDAATHFHXCQ-UHFFFAOYSA-N 439.520 0.776 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1741929899 BXCDYODHBJUSBG-GJYPPUQNSA-N 439.586 0.739 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748803239 WROJBOQEUJRFHL-KRWDZBQOSA-N 445.549 0.117 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1748962819 RSZFANVQAIKHRH-DLBZAZTESA-N 432.550 0.725 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1748977718 AMFZSDQFOXANLY-IIMAJNMQSA-N 435.594 0.987 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)CC1 1749014052 DAZGYGFMDBSWPY-FUHWJXTLSA-N 449.577 0.573 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1749488386 JOGRLAGTXBRKDL-IAGOWNOFSA-N 426.587 0.965 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682312 RINXKXCSEVMDSE-AVRDEDQJSA-N 448.568 0.973 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 1760154357 DAQFPTVOVBWNRM-GOSISDBHSA-N 436.582 0.699 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1760206156 SAZSIQJHVSUEPE-KRWDZBQOSA-N 433.534 0.731 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1760566348 RJXMJDXTUXGHRJ-OAHLLOKOSA-N 442.611 0.951 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769383152 XRDBEMSLZAXDEL-OALUTQOASA-N 440.570 0.998 30 10 ICEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404103 KCRFONPDWVXDPH-JTQLQIEISA-N 444.319 0.669 30 10 ICEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256620328 HFEKLTMOBMDTFH-UHFFFAOYSA-N 434.302 0.960 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873552 QFLGCOFGMLWSKA-ZIAGYGMSSA-N 448.329 0.733 30 10 ICEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)o1 59883916 IREDCVHMADECNJ-FBCYGCLPSA-N 448.513 0.410 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 428007630 XCYJYLMTALHUEO-LFJMAAQESA-N 427.526 0.850 30 10 ICEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 478744243 HJMWLNRXLSPVPO-DLBZAZTESA-N 425.510 0.983 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 520613574 YQGDFNYUUSTLSF-UHFFFAOYSA-N 446.558 0.981 30 10 ICEE N#Cc1cc(N2CCN3CCOC[C@@H]3C2)cc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] 542525532 MHAMWSIPPSVUSZ-RBUKOAKNSA-N 428.493 0.508 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c(F)c1 611876454 KKJRIEZNSIWAQJ-UHFFFAOYSA-N 427.440 0.946 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 727940721 UGVLSUPRZYWYSL-UHFFFAOYSA-N 443.533 0.805 30 10 ICEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H]1CCS(=O)(=O)C1 776054807 PEYABZCSTNTSET-XUVXKRRUSA-N 444.557 0.417 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)c1 776755508 CAFKMIPKZDQQST-UHFFFAOYSA-N 449.554 0.395 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 795077833 FMTRPVNKSISVJH-YLJYHZDGSA-N 428.537 0.002 30 10 ICEE CCOC(=O)CON=C(C(=O)N(C)CCN1CCN(c2ccccc2)CC1)c1cc[nH]n1 1136953346 YJOMKKSMZXJULQ-UHFFFAOYSA-N 442.520 0.974 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)C(=O)OCc1ccccc1 1153184399 DSSAIMBKNWQKHT-INIZCTEOSA-N 431.470 0.336 30 10 ICEE C=C(C)Cn1c(SCC(=O)N2CCC(NS(N)(=O)=O)CC2)nnc1-c1ccco1 1170758391 WXALSTHAJJWJNQ-UHFFFAOYSA-N 440.551 0.990 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)CCO1 1211862497 GRPLYSHWLNILAG-CHWSQXEVSA-N 436.303 0.798 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCO)CC1 1286492144 CWCYPEZRDNEXDU-QGZVFWFLSA-N 437.566 0.309 30 10 ICEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298095454 GUCRKECGTVWWJF-IBGZPJMESA-N 440.552 0.953 30 10 ICEE Cn1cc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCNS(C)(=O)=O)cn1 1298819484 ALYQZUHKEIDELJ-AEFFLSMTSA-N 440.533 0.971 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1300579483 VXWGKIWTSNIHHY-SJORKVTESA-N 438.575 0.468 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1 1301399723 SZAPERHAXMOILW-BXWFABGCSA-N 426.539 0.730 30 10 ICEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)N(C)C 1302680222 BPDHHOHVTFPLOK-UHFFFAOYSA-N 432.554 0.886 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1314643733 WHXSRUNBRYQQNJ-FUHWJXTLSA-N 437.504 0.874 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359126388 NWZGKDKTODOCKI-KBXCAEBGSA-N 426.543 0.197 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn2ccccc12 1360712851 CRKQYPLXGCULIQ-HIFRSBDPSA-N 430.494 0.313 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 1465259316 SPHIGXPXKGCZHZ-UHFFFAOYSA-N 425.555 0.977 30 10 ICEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1478806219 PXINMQWVUJFHIA-FQEVSTJZSA-N 435.594 0.993 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1507732801 SVJKOMRNPGCZOE-UHFFFAOYSA-N 434.541 0.864 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2COCCO2)CC1 1507885242 VQIONMLRJUNQEY-DLBZAZTESA-N 441.554 0.573 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508129895 DYFVWYZKYZDRGV-LSDHHAIUSA-N 429.543 0.257 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)NC(C)C 1513923182 HKCIRYCYEYRWDW-HNNXBMFYSA-N 447.569 0.545 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1539171028 FGCMSQVDQRVUKL-UHFFFAOYSA-N 429.506 0.201 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539231868 XYFFIIZMBZLXRA-LJQANCHMSA-N 439.564 0.530 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540897212 DGRIAPMIYUPSGF-AWEZNQCLSA-N 438.554 0.913 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1555817480 CIJFWTSBLYTRAT-CVEARBPZSA-N 429.506 0.081 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1587639488 MBEQWKGLNCSAEK-SJLPKXTDSA-N 438.598 0.943 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C)nn2C)CC1 1588884543 DRHPLRWIIPZKMJ-UHFFFAOYSA-N 426.525 0.472 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]([C@H]2CCCO2)C1 1652402120 NIZUAODFFUZVSS-KBAYOESNSA-N 435.502 0.796 30 10 ICEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352257 GIEBOENVIQKZAH-WMZHIEFXSA-N 441.532 0.574 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc4ncccn4n3)CC2)cc1 1683249392 DMQPSXXGFFYSJE-UHFFFAOYSA-N 426.462 0.212 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2COCCO2)CC1 1690143910 GIIZFJXQDIXHKU-QGZVFWFLSA-N 425.493 0.506 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690669476 GIXKQDWVYLVTRA-GJZGRUSLSA-N 426.477 0.808 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690672727 BBFHMRJBUDAJQL-GOSISDBHSA-N 446.577 0.998 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1705583331 VUSBNOKYKRRSAW-GOSISDBHSA-N 431.518 0.942 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1706078686 VFOSLMNBXBCCCL-JGWKNBOWSA-N 426.481 0.523 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722358241 FHGVILMZRVBFET-KRWDZBQOSA-N 438.598 0.773 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722370091 LRMSBZMPMGYCRS-KSZLIROESA-N 448.549 0.411 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1722723960 JRQBZLXCOSDTQU-PBHICJAKSA-N 444.583 0.619 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740787271 FYUSUZJMPVTIMW-HZPDHXFCSA-N 440.570 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1740995198 DBXYJVRJTCLKFH-HOTGVXAUSA-N 441.554 0.305 30 10 ICEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1741304110 FGNDDGFMYNTQKQ-LPHOPBHVSA-N 440.570 0.758 30 10 ICEE 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 1748824856 KVLQHUXDZKWAAV-WNRNVDISSA-N 434.500 0.296 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1748892194 KVMPLSUYYAICGJ-PKOBYXMFSA-N 448.593 0.557 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC(OCC)C1 1749054242 QIOQSSXXQMLTSO-RQRBMRNWSA-N 425.555 0.810 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749682923 CYARMRDBNGOFDC-MKSNKDDYSA-N 432.525 0.552 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1749738417 MMAMDELSFSDUJR-MRXNPFEDSA-N 436.538 0.740 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)CCO1 1750387702 ZBZIAKISFUTBCQ-QGZVFWFLSA-N 441.448 0.831 30 10 ICEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1760239393 HMEQJUKRCVRQNX-HXUWFJFHSA-N 434.518 0.875 30 10 ICEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1771336322 PHJBYFNZMUBNQS-KRWDZBQOSA-N 434.522 0.893 30 10 ICEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCOCC2)cc1=O 1870561659 XAUTYVUNQWTPEZ-UHFFFAOYSA-N 431.514 0.583 30 10 ICEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1872657320 XMSCRSQEEAURCT-UHFFFAOYSA-N 426.433 0.730 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 2022805423 ADRYHQDWNIEGPH-ZQDZILKHSA-N 440.497 0.299 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1 2255606785 UMCHYGCSEJSLIJ-OLZOCXBDSA-N 433.318 0.948 30 10 ICEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)o1 2255832089 HJXLRUTWSVQZLB-UHFFFAOYSA-N 434.262 0.791 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2298372588 QUJSMCGWQUKXTB-ZSAUSMIDSA-N 426.319 0.926 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCOC2)C1 461415309 BNZUEDNSSWBRLY-SJORKVTESA-N 438.554 0.778 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C 502048726 LJRLCEXXYXOSRH-UHFFFAOYSA-N 437.525 0.597 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508803852 ZMUOIHOVKBENHG-UONOGXRCSA-N 438.558 0.903 30 10 ICEE Cc1nn(C(C)(C)C)c(C)c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 755629271 QFENFUKDZJYGBP-UHFFFAOYSA-N 440.573 0.837 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 780205354 LVKJOJQIENIHKQ-LNLFQRSKSA-N 436.486 0.330 30 10 ICEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 781519221 PITZCVHJOBIHEX-QGZVFWFLSA-N 441.488 0.447 30 10 ICEE CS(=O)(=O)CCSc1cc(Br)ccc1C=NNC1=NC(=O)C(=O)N1 783862962 IVYDKJAVWGKYGX-UHFFFAOYSA-N 433.309 0.522 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc(F)cn2)CC1 795892102 JDJMNQOHMYRPIM-UHFFFAOYSA-N 446.460 0.711 30 10 ICEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800776006 WCNNWZNGDQRWNY-OAHLLOKOSA-N 441.535 0.363 30 10 ICEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCCN(S(=O)(=O)C3CC3)CC2)C1=O 802746147 FBQSLXHTYPURRO-FQEVSTJZSA-N 431.518 0.783 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Br)c2N)CC1 1152974923 YBKWVQKGXKFJTR-UHFFFAOYSA-N 435.731 0.910 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1cccnc1 1153865514 GUZDYPZANQKBFJ-IDCNUPLLSA-N 429.477 0.855 30 10 ICEE N#Cc1cccc(NC2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)c1 1168641533 BOALMAJUUXLUHU-UHFFFAOYSA-N 439.497 0.615 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1286369367 NNIPGCSRSFFEJM-UHFFFAOYSA-N 435.488 0.510 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CC(OCC)C2)CC1 1286469967 PQUYXLMYFZQFLN-UHFFFAOYSA-N 432.569 0.882 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793579 YZDLOAVEAPVQSV-OAQYLSRUSA-N 434.541 0.680 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)CC1 1286820937 WEHAYELXSCGNCF-KRWDZBQOSA-N 427.571 0.889 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300710104 SDUBCUFQPQAEMO-IBGZPJMESA-N 431.585 0.513 30 10 ICEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1313547191 FGYYUFKQAWNEGA-UHFFFAOYSA-N 425.493 0.590 30 10 ICEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1320187423 QDMRXDNUAYFJAJ-CVEARBPZSA-N 443.547 0.961 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359300552 FHHUZYICGLNLGK-YOEHRIQHSA-N 426.477 0.760 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1360189706 XFILVGJPVZBUKE-KPQZKFHNSA-N 431.497 0.556 30 10 ICEE CCOC(=O)CS[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(F)(F)F 1471163320 WHEABXSXLQMEDG-MJVIPROJSA-N 443.469 0.793 30 10 ICEE Cn1c(=O)[nH]c(NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)c(C#N)c1=O 1472766774 FCBWSCLERPTJCR-LBPRGKRZSA-N 446.430 0.841 30 10 ICEE COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1=O 1504906753 PCKMURPDYPCCKD-UHFFFAOYSA-N 427.465 0.322 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCOC1 1507617067 QMTHCVYERJGEMD-IRXDYDNUSA-N 441.554 0.124 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507630940 AGTJAXGHJPHTAN-INIZCTEOSA-N 443.595 0.502 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCn2cnnn2)c1 1539043243 OIRZHCUHTCDKJV-QGZVFWFLSA-N 435.492 0.915 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1539579120 HPLRZOHFKWELEE-NEPJUHHUSA-N 449.375 0.759 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1557429836 RNBRYZMZSISDOQ-IBGZPJMESA-N 428.514 0.720 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 1558072804 DTBJQJGCEZQSSD-UHFFFAOYSA-N 426.498 0.909 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CCOC)CC1 1588884557 FEFVRKPALLWBGX-UHFFFAOYSA-N 445.568 0.058 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1593746549 IDQIMWDNOBCOCE-IAGOWNOFSA-N 437.566 0.974 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595537613 UDVHMPZSIPASLN-VQIMIIECSA-N 429.569 0.837 30 10 ICEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1595790435 LRVQDETZTSHCIN-HNNXBMFYSA-N 437.522 0.907 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)n1C1CC1 1614827200 FKOZHECEQFTQCC-LBPRGKRZSA-N 427.436 0.658 30 10 ICEE COCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1619552665 NBNAZLGIIAJJEJ-UHFFFAOYSA-N 441.492 0.758 30 10 ICEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1620162180 JTVZECSUIATODY-IRXDYDNUSA-N 428.518 0.966 30 10 ICEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)CCn3cc(C#N)c(O)nc3=O)C2)c1 1630529972 DFVNBHQKZKZULX-CQSZACIVSA-N 427.461 0.871 30 10 ICEE C[C@](Cn1cccn1)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(N)=O 1655844958 WBWYYJINNDQGIW-WIYYLYMNSA-N 427.484 0.265 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CCN(C)CC1 1676632162 ISKICIHWQCSXHN-LFDOHDQPSA-N 425.551 0.624 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689987821 CRHPVSGCLGDZBD-QEEYODRMSA-N 447.517 0.357 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1690063840 QOOIUHUMOOOEBT-UHFFFAOYSA-N 431.518 0.667 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1696331760 JJJYHUFBSBIJRJ-IERDGZPVSA-N 427.509 0.948 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1696890820 GNGDKYFKQXPDLG-GOSISDBHSA-N 439.520 0.930 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705559025 OOPVNNRLXOZHOT-MRXNPFEDSA-N 433.538 0.019 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](COC)C1 1722724605 BDMWYYJXKOUDFE-MRXNPFEDSA-N 425.555 0.978 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740623866 BYDLKGSRTWCOES-VQIMIIECSA-N 436.559 0.709 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cc(CO)nn1 1740664579 WCAZTAJOEALODE-UHFFFAOYSA-N 443.533 0.982 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740964310 AWUJNKQQYPKFCB-QFIPXVFZSA-N 448.568 0.973 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1741000922 IAMJRGORVUVGGW-VBKZILBWSA-N 447.565 0.963 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1743385529 HWQIUNOXZJCQCN-NYHFZMIOSA-N 440.504 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749737153 XVRFRVJXKXBTBG-MRXNPFEDSA-N 439.563 0.488 30 10 ICEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1761436907 DXPHRYFAQOKFQR-GPMSIDNRSA-N 440.545 0.590 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1766715449 OJSWQNCXDSBDBN-UHFFFAOYSA-N 436.563 0.715 30 10 ICEE Cn1cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255625559 SLPPOPZNVQQVKD-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)n1 2255826879 DXNVCKWNJBZFMP-ZIAGYGMSSA-N 436.318 0.429 30 10 ICEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-n1nnc2ccccc21 9695162 CJPAXZPCDVQJEG-UHFFFAOYSA-N 436.461 0.623 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 429040466 IDRBCBZUGOFVHH-OAQYLSRUSA-N 429.565 0.907 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 558459665 MCGUHOFNTLACSN-QGZVFWFLSA-N 448.549 0.787 30 10 ICEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H](C)N1CCOCC1 609213995 KUERZPYQWIZWCO-IRXDYDNUSA-N 435.550 0.683 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(F)(F)C[C@@H]2CO)CC1 614916982 HYWYCMXJYPHCKL-OAHLLOKOSA-N 428.461 0.093 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729671142 POZKJEPANRYUOF-UHFFFAOYSA-N 437.525 0.766 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCC(=O)OC)c2=O)cn1 735069071 PJXJLNBAKMCNGU-UHFFFAOYSA-N 445.545 0.497 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 765166826 JURRVIVPQPYJGQ-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc(N2CCOCC2)c(F)c1 765347288 GARNQMDXXQIZJQ-UHFFFAOYSA-N 447.492 0.802 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802142529 CDJSQXVNDBTXPZ-CVTQAYBASA-N 427.461 0.492 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cnn(C)n2)C1=O 807936766 RRFFHMJZATZVOW-OLRQPGBRSA-N 444.565 0.321 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1189612909 DUTILTUEANCBFP-UHFFFAOYSA-N 446.298 0.837 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)N(C)C)CC1 1286476970 LZGUUSCQIYNUOR-KRWDZBQOSA-N 444.609 0.944 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286787256 DRPKEVCNRUVUIL-HNNXBMFYSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286793780 LWIJVAJYWVFTBJ-BHIYHBOVSA-N 445.568 0.421 30 10 ICEE CN1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1298892060 FJTVVWWBSUXKNC-HNENSFHCSA-N 441.517 0.735 30 10 ICEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1300018694 LGQVVMCXQIIKRZ-ZWKOTPCHSA-N 443.529 0.761 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC=C 1300283434 MSYBUVXPRIJOOA-HNNXBMFYSA-N 430.534 0.956 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301479127 UNAHYVVPGYAWCD-HUUCEWRRSA-N 449.537 0.243 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301502474 JCTLDJOKBMUAKF-SFHVURJKSA-N 431.585 0.912 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301916931 PKGSXJUXBLRBDT-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1314541286 ALOHNHNYXIVLEH-HOTGVXAUSA-N 426.543 0.920 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1358978061 CEQLTKNKMKSNQH-UTKZUKDTSA-N 449.577 0.625 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)CC1 1359028961 KXJXRQCAAQDZRV-INIZCTEOSA-N 442.549 0.340 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCNS(C)(=O)=O 1359054671 CRVLPXWIWXPDCU-UHFFFAOYSA-N 440.551 0.358 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1359304743 IBBLZVZSBCQEQC-OAQYLSRUSA-N 428.493 0.870 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc1 1439772965 VCAMJYHPYIJTRK-KRWDZBQOSA-N 425.532 0.918 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[S@@](=O)CC(F)(F)F 1453316646 XMDZYCOHYPVXJR-AREMUKBSSA-N 425.454 0.933 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)c(Br)c2)CC1 1477537999 CVWMOTRGQFMKSS-UHFFFAOYSA-N 447.330 0.926 30 10 ICEE CC(C)N(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1510216421 BEUZKILYNBTFTP-JKSUJKDBSA-N 427.575 0.736 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1517430761 CRJQURNOKPOSED-DOTOQJQBSA-N 433.557 0.951 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1 1539669345 OYTAVJDKYWXKRS-MRXNPFEDSA-N 438.558 0.695 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1552894459 YBDVHKWRSBCURM-ZFDMEJTGSA-N 445.549 0.982 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[C@@H]2COCCO2)cc1 1555990092 DNVQTVBZSXIKKS-GOSISDBHSA-N 426.477 0.861 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)s1 1635006134 JXMRFVJZIJEAES-INIZCTEOSA-N 440.591 0.566 30 10 ICEE CSc1ccc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 1637515533 WVBMNIAUTGHHQW-LBPRGKRZSA-N 425.470 0.979 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1653117576 DYAMJFBGWGHTIO-IXDOHACOSA-N 435.502 0.837 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 1663864460 UUWJNJQCUSBMDR-UHFFFAOYSA-N 431.923 0.488 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689855881 FEYNDWQPLDJBLK-INIZCTEOSA-N 431.500 0.985 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(C)=O 1694790234 CANGHNFNYITNTD-SFHVURJKSA-N 425.493 0.970 30 10 ICEE CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1696881325 DALFQEREGUVVEP-DXQAYGFFSA-N 429.481 0.325 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1705583073 PMTCXARMTUSIFP-QZTJIDSGSA-N 436.582 0.414 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)CC1 1705633113 JEUSLNPAWMVTFV-DLBZAZTESA-N 446.581 0.103 30 10 ICEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705827578 KLURLXWVOXPCTL-QGZVFWFLSA-N 440.504 0.693 30 10 ICEE C#CCCCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1722338418 IRLHWNBGLSZQDV-APWZRJJASA-N 425.555 0.862 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC 1722517595 MCDXNHOXJBJWFW-OAHLLOKOSA-N 442.586 0.786 30 10 ICEE CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1729207882 CPYBGCQFZLOGCN-ZDUSSCGKSA-N 438.535 0.433 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620765 XTLBQQNLSLVPAX-XLIONFOSSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740622619 FFJUJVFLSHIDOJ-STQMWFEESA-N 449.455 0.782 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740622853 JSFWMOXVGZZBBM-UWVAXJGDSA-N 440.566 0.934 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1740951535 HZFZWXHOCJDSDV-AWEZNQCLSA-N 427.575 0.157 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1CCOCC1 1740961694 HQPRZUJTUCVDMP-UHFFFAOYSA-N 438.536 0.587 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1748650757 DJQCZFPBMRFXBU-CQSZACIVSA-N 439.563 0.746 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2nc(C)no2)CC1 1749009589 KQCAECJQHZSARL-MRXNPFEDSA-N 440.508 0.519 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1749549553 VZNPBICJICJOQP-MAUKXSAKSA-N 448.549 0.996 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749668697 CVEXWWOFBJBXLV-OLZOCXBDSA-N 430.431 0.589 30 10 ICEE O=C(NCCOCCO)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933884 QSDCXRDNNOAAAK-QGZVFWFLSA-N 435.477 0.601 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247954084 YBKJXNSPJHSDTH-RYUDHWBXSA-N 442.347 0.663 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2255607039 VZBNMOYDWIHUSF-ODXCJYRJSA-N 433.318 0.854 30 10 ICEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)nc2)OC1(C)C 2267170558 XGWAARRMAZZDHQ-IBGZPJMESA-N 437.353 0.980 30 10 ICEE COc1cccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72443904 CFZLZEOKYGWDDI-GXTWGEPZSA-N 438.444 0.410 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC)C1 508886497 BDFNIRLWLYXKIE-SJORKVTESA-N 426.587 0.965 30 10 ICEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)[C@H]1CCS(=O)(=O)C1 512075546 YACMKPQSUFTHRR-INIZCTEOSA-N 444.579 0.629 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 603797973 PMMJHDFHOJSMAH-UHFFFAOYSA-N 438.553 0.356 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1=O 613853823 PEMVGOPEYRPCMT-UHFFFAOYSA-N 436.266 0.470 30 10 ICEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 732647663 HLFWIKUDUNDTCZ-HXUWFJFHSA-N 431.562 0.646 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 751274617 GJNMTPXOKLWILL-OAHLLOKOSA-N 444.506 0.109 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOC)CC1 802423881 DXBJQDAKDXHZCD-IBGZPJMESA-N 442.520 0.861 30 10 ICEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805875613 ZAGKDHLHFXUCIA-RHSMWYFYSA-N 438.481 0.912 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 811789637 AFEOBKRDWHQNOG-UHFFFAOYSA-N 434.522 0.094 30 10 ICEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 1134274843 BQYWGBNTXLKURF-NKJJTKGUSA-N 433.530 0.749 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC1 1175515293 VWZMJHKKCHXBGY-ZDUSSCGKSA-N 436.353 0.810 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC[C@H]2C)CC1 1286492965 LENULTBNCKTYBJ-IEBWSBKVSA-N 430.553 0.469 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286781033 MYWBGPLIFDXBFI-GOEBONIOSA-N 431.541 0.556 30 10 ICEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)C1 1304252635 PACDFGMTJXBXOG-UHFFFAOYSA-N 433.465 0.447 30 10 ICEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1358917772 AIPADIXLUOICQT-GOSISDBHSA-N 444.536 0.441 30 10 ICEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359026777 KKQLJIUYEGQYIV-NRFANRHFSA-N 448.545 0.801 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359300697 IORKWAOEEHSZMM-QSJFSLAZSA-N 438.554 0.148 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1359306246 ZZKGTLUKGZHNTI-MAODMQOUSA-N 435.525 0.617 30 10 ICEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507962091 MYUDXEWSSPDXRT-UHFFFAOYSA-N 440.508 0.255 30 10 ICEE N#CCNC(=O)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1525371965 ACWNXPYSUJEVLU-HIFRSBDPSA-N 442.335 0.798 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539436029 GTRMICPSQKNGFG-NRFANRHFSA-N 445.545 0.259 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587706580 RFOHRJCRWMSUBI-GJZGRUSLSA-N 431.584 0.705 30 10 ICEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H]1OC 1620145460 UMSWNZMDGBDTBO-HDICACEKSA-N 449.533 0.728 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1ccnn1C 1633662981 YZRBRZUVRKNOEG-JFTQMJAMSA-N 446.508 0.584 30 10 ICEE CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1633898633 HLGBMNQTFAKBQY-UHFFFAOYSA-N 436.469 0.250 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)cc1 1645353064 JGCRDLOKUXHXDC-MRXNPFEDSA-N 429.502 0.801 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1645897417 NPAFDWKSHOAIBI-UHFFFAOYSA-N 439.540 0.767 30 10 ICEE C=CCN1CC[C@H](N(C)S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1=O 1661659870 QTOXQSGJDSELTF-KRWDZBQOSA-N 435.502 0.348 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CC1 1690375211 CYMUWIOJRWUWFR-KRWDZBQOSA-N 442.586 0.346 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705567692 ZQGGTIRTLYFGQM-KBPBESRZSA-N 445.492 0.528 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1705628573 KTAATIUOHCBKFB-HUUCEWRRSA-N 431.584 0.449 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)CC1 1705634196 MUZUAMFKVQRVNB-UHFFFAOYSA-N 430.534 0.192 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CC(N)=O)C1 1722700456 JZRNIBYYALPMGO-MRXNPFEDSA-N 436.520 0.911 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCN(C)C1 1723337398 GDAQPIZLFQKYGC-VGSWGCGISA-N 439.568 0.920 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1726638281 MAAIYVHWUKUXGB-CQSZACIVSA-N 431.522 0.423 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1740717615 XHDQTFBPNCMSFS-CABCVRRESA-N 429.568 0.203 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 1740969780 BDFFGNLNYOTNKM-QGZVFWFLSA-N 432.525 0.544 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1748129701 UHCBXBJRBRSEQZ-YOUCSZFUSA-N 431.497 0.474 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1748802182 MVOXNBQQSFEMQC-SFHVURJKSA-N 449.577 0.958 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1760209486 DOCLKUSNNBIFRC-CVEARBPZSA-N 441.579 0.319 30 10 ICEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CC1=O 1855335854 VFTLKPVEKPWVTF-MSOLQXFVSA-N 426.583 0.922 30 10 ICEE O=C([C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N(CCO)CCO 1869929121 ABATZBXQMOKTRB-QGZVFWFLSA-N 435.477 0.289 30 10 ICEE C=C[C@@]1(CO)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2135110008 ARULDYFFALACNK-RTBURBONSA-N 426.466 0.590 30 10 ICEE 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 2213501039 UQIXGLWNYOGQFU-KLHDSHLOSA-N 441.525 0.750 30 10 ICEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255932798 GUCSDTSLGZHBGN-UHFFFAOYSA-N 449.342 0.051 30 10 ICEE O=C1C(=Cc2ccc(O)c(O)c2)Oc2c1ccc(O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2O 2294827551 UBWXFKAQTFNVSG-BEHFXJQDSA-N 446.408 0.262 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2[C@H]1[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@H]1O 28630632 DRKMHDAKULCOKQ-JEOGCQQLSA-N 442.424 0.558 30 10 ICEE in-vitro C[C@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 425912871 DPBPEZPWYIVPJK-LAUBAEHRSA-N 434.562 0.874 30 10 ICEE CC(C)(C)n1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 448488270 QHNPUHPWAPDXKY-UHFFFAOYSA-N 444.517 0.981 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCOC2)C1 461415307 BNZUEDNSSWBRLY-IAGOWNOFSA-N 438.554 0.778 30 10 ICEE CC(C)CN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 464862165 HPANTCZVCRMEJS-SJORKVTESA-N 434.566 0.530 30 10 ICEE CSc1nc(O)c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1C#N 500831711 WRNQINIDGMWXGE-ZDUSSCGKSA-N 426.520 0.647 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)CNc4ccc(C#N)cn4)CC3)C2=O)n(C)n1 509644014 SQHYXLKRRVEOIB-SFHVURJKSA-N 436.520 0.747 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 512705690 OGIKRGQRIYXYTM-UHFFFAOYSA-N 433.534 0.027 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1CC(N)=O 525173396 ULWHYXLNTRSLRH-UHFFFAOYSA-N 447.463 0.911 30 10 ICEE COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 545463844 YHVHUPZXOOLZHT-UHFFFAOYSA-N 429.521 0.940 30 10 ICEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 571228262 AHJFCNQPBYSZHV-UHFFFAOYSA-N 440.508 0.699 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 729332369 YCCOMGOFPIRWQI-SFHVURJKSA-N 449.554 0.608 30 10 ICEE Cn1c(=O)c2c(ncn2CCC(=O)NC2CCN(c3ccccc3C#N)CC2)n(C)c1=O 749530251 LZBGFWQMYZDPSV-UHFFFAOYSA-N 435.488 0.481 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751832603 YWHIOFHKACPELM-UHFFFAOYSA-N 443.554 0.186 30 10 ICEE C#CCNC(=O)[C@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919207681 PXBKKSQEAPQQAX-NSHDSACASA-N 445.291 0.484 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1286509951 ZAHVDYZZQVQYNR-OAHLLOKOSA-N 429.568 0.204 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286785489 LYUAQINGILEZNK-UHFFFAOYSA-N 447.565 0.941 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1286788349 VDUPESHPBKESQZ-KRWDZBQOSA-N 434.541 0.801 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286821069 ZOVQUVKJDFSIAB-HZPDHXFCSA-N 426.539 0.897 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NCCOC)CC1 1301051984 UKWQVKFEEPQZDZ-UHFFFAOYSA-N 439.948 0.038 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1301589633 VBGOAEVHSGNPQD-MRXNPFEDSA-N 437.566 0.879 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)CCOC1 1303476972 JYNIHQCABZWYDE-MAUKXSAKSA-N 428.559 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 1358890317 NTYGRUKAOIQBHW-GVDBMIGSSA-N 441.554 0.265 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1359010192 JLCCDWUEOUYDGD-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CCC)C2)CC1 1359044767 OEMTYCRKRJLUTR-MJGOQNOKSA-N 441.580 0.927 30 10 ICEE N#Cc1cn(CCNC(=O)NCCc2ccc(OCCN3CCCC3)cc2)c(=O)nc1O 1478321708 BOWLVWBKYNXSKY-UHFFFAOYSA-N 440.504 0.837 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1508421526 BMSIRMPYTMOIOG-OWCLPIDISA-N 426.543 0.633 30 10 ICEE CCCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1514552010 OVGHDEPNNIUDJI-JKSUJKDBSA-N 442.542 0.156 30 10 ICEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)NC)CCOC1 1516199271 RSELVQZROSDNKD-OAQYLSRUSA-N 441.492 0.601 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539089175 JMQZDQWTJBGMRQ-UHFFFAOYSA-N 442.524 0.887 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539705492 WXALXHWJOSGHTH-IHRRRGAJSA-N 427.483 0.301 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1540865040 SOWUIVAIVAEMFC-QGZVFWFLSA-N 442.520 0.785 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1555959024 MTRCQJJQWSPGDD-HFKSAQAGSA-N 443.508 0.541 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 1570654243 HGQHKQUJQWMACE-UHFFFAOYSA-N 426.498 0.940 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1595594793 PJSFRDLDZWGRJJ-UHFFFAOYSA-N 435.506 0.403 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCn2nc3n(c2=O)CCCC3)s1 1596429877 DOJHSKRCCVWJKT-UHFFFAOYSA-N 439.563 0.656 30 10 ICEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)n[nH]1 1612419137 DUJWRQIVDQNUSR-UHFFFAOYSA-N 435.492 0.781 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 1667406877 UYKZVSXBGBTCMB-UHFFFAOYSA-N 441.941 0.794 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@](C)(COCc2ccccc2)OC)CC1 1683919548 XXRNAFAABLRFSI-FQEVSTJZSA-N 438.550 0.403 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1689979391 AEQIKDLABVIKTG-KFWWJZLASA-N 436.538 0.407 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705585445 SGLLDHTXKWEVFL-IBGZPJMESA-N 439.564 0.416 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740876700 LDSGWVRGVJXLTN-WBVHZDCISA-N 440.570 0.634 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1740992847 UTQJKZTVDXLHCU-HOTGVXAUSA-N 445.611 0.311 30 10 ICEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1747623800 PSTBSEYTHVKBSA-OKZBNKHCSA-N 431.518 0.980 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1748814820 JOTIXGBJHKZECD-MRXNPFEDSA-N 428.580 0.997 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cncn1 1748950916 PTDQLFXXKMIPGG-UHFFFAOYSA-N 429.506 0.726 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)CC1 1748989019 DIUYZHNJRKTNAM-INIZCTEOSA-N 436.582 0.098 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749114812 HNJIBIQANPEOLO-BZSNNMDCSA-N 434.541 0.739 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760155084 PEZCJPFHLCOPFW-XDNAFOTISA-N 437.566 0.886 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1760315978 KWPSIPBNVGGBMC-KBMXLJTQSA-N 440.570 0.571 30 10 ICEE CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769574907 CEQQENYTUBFHFE-STQMWFEESA-N 432.506 0.750 30 10 ICEE Cc1ccc(-n2nnc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n2)cc1 1890341061 CZLXUBNFUKSJAV-UHFFFAOYSA-N 437.548 0.843 30 10 ICEE N#Cc1ccc(CNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 1892118145 QCXVQSNQYITFNT-UHFFFAOYSA-N 448.526 0.687 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628779 MYOAFIDAPVSKKE-JSGCOSHPSA-N 436.318 0.978 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2311709726 ACDMJVXKPLTAOK-YUDUXTHKSA-N 438.330 0.878 30 10 ICEE C#CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13047452 OFVXJQUCGGVCQT-AWEZNQCLSA-N 429.292 0.895 30 10 ICEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409852204 ZQTYLXHQQOPLBX-LBPRGKRZSA-N 438.897 0.906 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1 439936950 BEAWJMCYAIVVNZ-LUKYLMHMSA-N 436.486 0.716 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nc2)CCN1C1CC1 732651972 LMZLLBJJSUIJDE-UXHICEINSA-N 433.516 0.706 30 10 ICEE CN1CCC(C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1136630636 VLFOTEKOZVKQGC-OWCLPIDISA-N 440.566 0.761 30 10 ICEE C#CC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1161365173 PJCDMSXWKRPIJB-FZKQIMNGSA-N 436.262 0.897 30 10 ICEE Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)CC2)c1C#N 1189271580 AHVVGBSBZSXBMH-INIZCTEOSA-N 438.554 0.773 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286396226 WFTOZFNANOYELC-NQIIRXRSSA-N 447.561 0.678 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)[C@H](C)CC)CC1 1286490434 KWGIYSWOFQJLJD-SJLPKXTDSA-N 429.569 0.925 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300491031 DHGATRIMUFELER-HZPDHXFCSA-N 437.566 0.919 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1300631076 LAUIJQUQQJIWTO-IAGOWNOFSA-N 437.566 0.887 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301458845 GGYXBCIYUGTQOQ-OAHLLOKOSA-N 430.538 0.606 30 10 ICEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H]1OC 1302418239 FJRRUDBITZYWSB-QRVBRYPASA-N 429.477 0.994 30 10 ICEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CC1 1313920738 LYTYNGUBUJHDKF-GUDVDZBRSA-N 435.573 0.757 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1358890996 YEGLUFCUHNKNKP-HKUYNNGSSA-N 436.626 0.912 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359225854 NBRRLANDSIDCPK-INIZCTEOSA-N 440.570 0.682 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1470032691 JVCGPOAXPBDHCS-ZWOKBUDYSA-N 427.486 0.239 30 10 ICEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1470762210 FDWKKZHZMRWMTD-ROUUACIJSA-N 444.517 0.592 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 1471451185 PLADGWHRUGYGGE-UHFFFAOYSA-N 445.295 0.891 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503734187 QNBNYRDRJUZNJM-FKYGANFRSA-N 443.508 0.271 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1504722950 UZBKOGAUYPNRRB-IRXDYDNUSA-N 439.476 0.657 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1507632300 YQMKAXISAQSYAQ-GOSISDBHSA-N 438.513 0.902 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507870904 PTMLLTYHFLBFCE-UHFFFAOYSA-N 435.916 0.080 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508087820 QCOLVWQMCRSWHQ-DOTOQJQBSA-N 445.568 0.909 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1540035693 HDRAKYYZPFIFTC-IRXDYDNUSA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)CC1 1540905515 WWOQWMPKJFSYNU-UHFFFAOYSA-N 425.536 0.100 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1540954736 HVOFCGGZOBBBNB-YEWWUXTCSA-N 441.533 0.589 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1555985013 GMBOPCMWDUNWKL-PBFPGSCMSA-N 445.421 0.934 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1587909097 CRXHMPMHZCGMRV-AWEZNQCLSA-N 425.536 0.432 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588025222 WDUMMQQRQWMQFS-KBPBESRZSA-N 445.492 0.467 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCOC2)CC1 1588762249 FYCVJNFHIYCLDX-NRFANRHFSA-N 445.545 0.255 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)CC)CC1 1588780249 JXNBACMMSUMFEF-UHFFFAOYSA-N 434.508 0.154 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@H](C)C2)CC1 1588924360 ZXSPADOSKQDZPK-PKOBYXMFSA-N 441.580 0.927 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589059514 GQUSLYUOLPGEAQ-HOTGVXAUSA-N 432.550 0.423 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O 1589663740 PXUFVFDTFVMCOI-DNVCBOLYSA-N 440.570 0.492 30 10 ICEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620079107 OEOMUJYZBJNBJQ-QGZVFWFLSA-N 440.508 0.485 30 10 ICEE N#Cc1cn(CCC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c(=O)nc1O 1626054295 RNUJKVFOFZPRMY-UHFFFAOYSA-N 438.532 0.925 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 1631545749 QXSIKDNBSZTGCT-GUYCJALGSA-N 448.588 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)CC1 1650846224 NZDQWYVWMCRBMR-OAHLLOKOSA-N 448.574 0.520 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1676653714 VUZOOGCRMLQESB-IBGZPJMESA-N 436.582 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1690731242 FIJZRCYVTCASIL-IBGZPJMESA-N 441.554 0.200 30 10 ICEE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1698440002 HZODSAFDPARYPE-GFBZJKCLSA-N 443.508 0.248 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722366482 QIFXEENMUHRBMI-GOSISDBHSA-N 442.545 0.417 30 10 ICEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729824717 BFRIAZHFCHJQIC-HZPDHXFCSA-N 439.524 0.926 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740642211 SLLSNXQJMCAVSW-SFHVURJKSA-N 436.491 0.957 30 10 ICEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1740953207 YNUCMYCSRIGCAM-UHFFFAOYSA-N 433.538 0.685 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1748670931 DZMAMJVMUAYQFV-WMLDXEAASA-N 427.530 0.972 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1748791527 UXPAAOJHZXNNHH-ZWKOTPCHSA-N 438.598 0.802 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749128804 ZVGSNAYGISYRMX-YLJYHZDGSA-N 440.552 0.927 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749853276 YPKPLACFBDZVOY-ZZEZOPTASA-N 436.476 0.535 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760191721 MLLORPIUNBKYJP-QGZVFWFLSA-N 432.550 0.681 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1760225329 NIRVUIUEGSOSDX-INIZCTEOSA-N 447.565 0.628 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 1760412820 RWFPVCKVYDJZLQ-CQSZACIVSA-N 426.543 0.150 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760510101 GCSBMRXEAPZFAW-MRXNPFEDSA-N 434.522 0.532 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1768518591 RNALROGSMZODCT-KRWDZBQOSA-N 448.549 0.656 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)CC1=O 1854503809 OKSYZYNMMRRHPU-IRXDYDNUSA-N 437.562 0.439 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC3CS(=O)(=O)C3)cc2Cl)OC1(C)C 2267352621 GVJYCSXQNXUUDE-UHFFFAOYSA-N 427.762 0.776 30 10 ICEE C=C(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C=O 31538328 IITUVPKVNFWTCD-FFGOWVMKSA-N 428.533 0.702 30 10 ICEE COC(=O)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254765693 HNZPBOSMQIQMML-UHFFFAOYSA-N 427.465 0.777 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)o1 471195960 MHLYNHCYPVGELW-UHFFFAOYSA-N 442.541 0.179 30 10 ICEE COc1c(F)cc(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 545489819 YCHMWHQAAFROTJ-UHFFFAOYSA-N 433.465 0.640 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 604002968 PAPYRVPAOILXND-UHFFFAOYSA-N 432.509 0.779 30 10 ICEE N#C[C@@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCN1C1CC1 732663620 ASKWGSNDCBLJES-MRXNPFEDSA-N 434.518 0.715 30 10 ICEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 771264272 BUDFEFXYJWYGQD-KSFYIVLOSA-N 425.489 0.969 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 800780481 WGYIWEOYYSDCCE-LSDHHAIUSA-N 442.542 0.512 30 10 ICEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 1151224247 FEQMYTFKUPFAKI-UHFFFAOYSA-N 438.492 0.580 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1288524303 BRPOQYJIRWPHOJ-HUUCEWRRSA-N 441.558 0.218 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1292889404 BCADAWJIMRZWTF-UHFFFAOYSA-N 446.305 0.807 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300465793 QKXUTTUQMMVALH-YYIAUSFCSA-N 425.555 0.884 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 1312024625 QEQTVFNJVJFJLT-UHFFFAOYSA-N 438.897 0.685 30 10 ICEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1353251310 ZQRNGLZPCMQXGT-GFCCVEGCSA-N 441.893 0.542 30 10 ICEE COC1(c2cnnn2C)CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1455380105 KOJUZPPGUNFEGD-OAHLLOKOSA-N 446.533 0.652 30 10 ICEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1472491598 OIGZTSCRJSVNBX-INIZCTEOSA-N 425.532 0.450 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503835168 BGJZAJNVYYAUEW-MRXNPFEDSA-N 446.537 0.272 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1519436575 MNRPGYZEYFDERV-MPGHIAIKSA-N 444.533 0.772 30 10 ICEE N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc2n1CCOC2 1537672850 RUDXUNHDMQDFNX-UHFFFAOYSA-N 435.437 0.697 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1539178929 MRRDVMAWPRSHCW-GFCCVEGCSA-N 441.501 0.976 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1539230405 HFAABPCLTMJWHD-HNNXBMFYSA-N 425.555 0.604 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1541703512 QPFBXWXBFDLETJ-JOCHJYFZSA-N 437.504 0.970 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 1558073670 XDCFFNGVPXZUPA-UHFFFAOYSA-N 428.470 0.956 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)c1 1587693521 UEMGPQWOJQLYTR-UHFFFAOYSA-N 445.545 0.836 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1588139098 LTEDPJIRQLWQRO-SFHVURJKSA-N 446.533 0.531 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)CC1 1588876763 IHBNMUMKHFKMGC-IAGOWNOFSA-N 438.598 0.501 30 10 ICEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1617486666 IIHVGJRJQSHIPD-DEYYWGMASA-N 426.516 0.502 30 10 ICEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)CC1 1627118422 FBEYXMAJPYOZOD-INIZCTEOSA-N 446.508 0.364 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(OCCO)CCOC1 1628960392 PRODFQDTXZCBKR-JXFKEZNVSA-N 439.534 0.424 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1640748754 HBTTWPUWMDLYLR-GDBMZVCRSA-N 425.532 0.683 30 10 ICEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(OC(F)(F)F)cc1 1641282354 NXRKEJWZXPJDNU-LLVKDONJSA-N 426.351 0.650 30 10 ICEE C=CCC1(O)CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1645229827 IMHCQPFVRHDKSK-UHFFFAOYSA-N 425.482 0.442 30 10 ICEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCS(=O)(=O)c1ccc(C#N)cc1 1647787246 BWJOAOYILLUHAO-FQEVSTJZSA-N 439.534 0.920 30 10 ICEE C#CCN1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)CC1 1653118235 SQPBYVABQHBNSQ-SJORKVTESA-N 425.551 0.577 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)CC1 1690112138 QEJQRKKOAFCQJG-HNNXBMFYSA-N 448.549 0.406 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690667696 DNRSZKLPXSEIFJ-UHFFFAOYSA-N 432.488 1.000 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690727141 VGNXKANSNYCMMB-SFHVURJKSA-N 439.582 0.953 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC(OCC)C2)CC1 1705644565 VJKPUISMBKKPHS-UHFFFAOYSA-N 446.552 0.312 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705685875 KVRFYFKOONJXHT-STQMWFEESA-N 439.314 0.575 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CCO1 1712884037 FJHIZOPTHNYUKN-DOTOQJQBSA-N 444.517 0.938 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1722367807 XGKXHHRVJBLLDL-PRQMKSPXSA-N 429.568 0.481 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1722376680 XSQULKBVHYVDHY-OAQYLSRUSA-N 442.545 0.771 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722430089 WPKHYTLRSNOXCA-FQEVSTJZSA-N 444.628 0.445 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1722538537 YLPDRPIRJUHHFX-OAHLLOKOSA-N 427.527 0.661 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1722702378 IWAQWZGHMQLCTO-LNLFQRSKSA-N 445.524 0.406 30 10 ICEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1729598452 KRXVLBDCDMILQS-XUTLUUPISA-N 446.471 0.622 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1741110521 DZGBYXBUBPOAPW-IBGZPJMESA-N 440.504 0.985 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1749039075 PMFTWBCATYUEHM-MRXNPFEDSA-N 427.596 0.315 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1749128813 ZYMQMPGJYSXXAP-DOTOQJQBSA-N 433.538 0.798 30 10 ICEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749218367 MUQCYBSJAJMIMI-OAHLLOKOSA-N 445.911 0.733 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1749740458 DZRSKMKMGJBVNJ-OAHLLOKOSA-N 432.568 0.744 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760182119 GQLHJVPJZMWGIV-OAHLLOKOSA-N 428.580 0.996 30 10 ICEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760376710 AURRDDDXFFPTSY-UHFFFAOYSA-N 429.912 0.944 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760530166 LAWFNUPDLSIYGA-STHPQGGCSA-N 435.525 0.689 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)OC)C1 1760543247 NWTZBQUMNGVYAJ-OAGGEKHMSA-N 429.543 0.427 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1763201214 ITHORXCMTFPYKB-QGZVFWFLSA-N 445.549 0.861 30 10 ICEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1770149620 CHVKEKOEBRWLMR-WMLDXEAASA-N 434.522 0.868 30 10 ICEE COC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)CC1 1854635257 BIKABRNYRWUQHX-OAHLLOKOSA-N 434.518 0.417 30 10 ICEE C#CCO[C@@H]1CCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1892230062 UUQPXYBUKDWYNO-GOSISDBHSA-N 449.529 0.030 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633120 WRPFTWBBUVWJDP-OCCSQVGLSA-N 436.318 0.667 30 10 ICEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694445 NRQUFZINFQONKZ-UHFFFAOYSA-N 427.314 0.845 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 503631124 UDGLVYZXQUPWAV-UHFFFAOYSA-N 448.423 0.838 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 508498294 RCSVBOVIFDDLGA-OAHLLOKOSA-N 433.538 0.882 30 10 ICEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 548247011 KAEOBFYAAXDXIB-NSHDSACASA-N 426.394 0.839 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2CN(S(C)(=O)=O)C2)C1=O 777464037 MGWOBDXTKRSVGP-HNNXBMFYSA-N 435.531 0.517 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 799669986 PLOYZJKXFLPDHR-CYBMUJFWSA-N 435.474 0.075 30 10 ICEE COc1ccc([C@H]2[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC(=O)N2C)cc1 1159490675 SYAPBLIKVJCMOY-MJGOQNOKSA-N 437.456 0.822 30 10 ICEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CSC1 1195976682 ADJMXBHJRMHDSH-UHFFFAOYSA-N 439.559 0.705 30 10 ICEE CC(C)(CCS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1211727072 CHIGAXWXHJSPFW-MRXNPFEDSA-N 427.548 0.792 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)NC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1234082738 JFECFYYSHSAOPT-UHFFFAOYSA-N 445.586 0.863 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286592750 UGEHLBDIDFGKJM-CVEARBPZSA-N 443.595 0.761 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1288320789 CYXYQLZJMMSSMZ-FRQCXROJSA-N 439.538 0.482 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCC(C)C)CC1 1300682840 KDYPZQDELYODSN-YLJYHZDGSA-N 440.614 0.831 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301496875 JJOAAJJEMPEQJV-UHFFFAOYSA-N 425.497 0.599 30 10 ICEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)CC1 1303941396 ACVHHGOAYBOGRT-AWEZNQCLSA-N 444.583 0.250 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507633781 HCJIQKXEFFQLBG-OAHLLOKOSA-N 436.563 0.397 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC)CC1 1507739639 SHBDTIVNTVFXRD-QGZVFWFLSA-N 437.566 0.573 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1507752237 WYWGOZUNULPPCV-OAHLLOKOSA-N 443.595 0.593 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508078594 DTKKQMAZDWIIES-OAHLLOKOSA-N 449.533 0.888 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C1 1508121076 CQZKIERTVXLMBE-HUUCEWRRSA-N 426.543 0.338 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1509948623 BCAONKVAXBTXLU-QXSJWSMHSA-N 426.543 0.774 30 10 ICEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1517396527 BVFMLRCZRYQOFF-MRXNPFEDSA-N 441.517 0.991 30 10 ICEE C#CCn1cc(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cn1 1561734397 YZJQXUSJSRNWTR-UHFFFAOYSA-N 438.531 0.324 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1568812671 GIUQCVYPXVFRJE-CJNGLKHVSA-N 431.518 0.396 30 10 ICEE CNC(=O)NC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1584822264 BTQGOALAORQWJO-KXSVDRQTSA-N 435.525 0.930 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588049974 OOYSOTFPSVUQHD-GOSISDBHSA-N 431.566 0.791 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1595798563 QNERQEPWQSLQRR-HUUCEWRRSA-N 432.568 0.254 30 10 ICEE CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1613670383 FXOIIHUGZUITTM-MRXNPFEDSA-N 440.570 0.902 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 1620564909 XBMMXHCCAHOLMR-NCYKPQTJSA-N 433.597 0.810 30 10 ICEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1623197186 DEMNNTBWOBXOSK-KDOFPFPSSA-N 428.468 0.598 30 10 ICEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)CC1 1627118423 FBEYXMAJPYOZOD-MRXNPFEDSA-N 446.508 0.364 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 1644284668 BKNOWHTUHPFJEH-ZDUSSCGKSA-N 442.900 0.444 30 10 ICEE Cc1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cc1S(=O)(=O)NCC#N 1644505931 SSTZMWSCUUYPNI-UHFFFAOYSA-N 442.497 0.948 30 10 ICEE C#CCN(C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1682496709 GOISYCYMORNAGU-CVEARBPZSA-N 429.539 0.844 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689977835 FAQXZPCVSJYYNA-IAGOWNOFSA-N 436.582 0.527 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1690020152 ZPPSURGVWOPEPB-RTBURBONSA-N 448.593 0.558 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1705581705 JKYOUQBDNHPKEQ-KRWDZBQOSA-N 437.591 0.624 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1705623160 IIQIBVHIRWMWPN-NRFANRHFSA-N 445.545 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCOCC2)CC1 1705652496 BNQCHIXMWMUCRK-IEBWSBKVSA-N 430.553 0.816 30 10 ICEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1706958762 CMJPEAWEHMTDNQ-JXFKEZNVSA-N 447.517 0.883 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722353305 UYNNFBPTUPRVHB-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1722725941 UUZROOGLKKGXPN-UHFFFAOYSA-N 441.554 0.403 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729220163 LMSZNMOGPVZJAN-RDJZCZTQSA-N 437.570 0.288 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1730789473 WBQSPCKQNDVJJZ-RBUKOAKNSA-N 440.504 0.652 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1740615729 JXSWICQNDGDPFK-CYBMUJFWSA-N 437.551 0.251 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(C3CC3)C2)CC1 1740701241 ZKPODGUBMRAJFH-KRWDZBQOSA-N 441.580 0.866 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748719205 WKXNGNBITKMVLL-HOTGVXAUSA-N 448.549 0.456 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1749003615 PFAWLNODWKICSW-OALUTQOASA-N 442.543 0.898 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749659473 DOIYCGVAKSJFIC-HUUCEWRRSA-N 443.460 0.336 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CCN1S(C)(=O)=O 1750349916 CFPWSHJNWWGSTO-AWEZNQCLSA-N 441.521 0.464 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1760220079 WBBLCVNUCVQEPM-RBUKOAKNSA-N 448.593 0.414 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1760234098 TWYGVEBPCCXLSQ-ZWKOTPCHSA-N 438.598 0.802 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCOCC2)CC1 1760251557 CJXJKZJFFJPXAC-SFHVURJKSA-N 431.585 0.672 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760555242 AOYDDMJBJKVPQA-MSOLQXFVSA-N 439.582 0.541 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1769148364 JFDUNMUKRQQCHE-GDBMZVCRSA-N 425.493 0.826 30 10 ICEE COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771083327 RSRJDROJMRTOGV-HNNXBMFYSA-N 427.509 0.895 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCCO2)C1 1771360633 DDLQEGINMBFDGL-IRXDYDNUSA-N 438.554 0.920 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1855960970 CIZZBBOXTDBFSU-LBPRGKRZSA-N 428.873 0.827 30 10 ICEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1856388307 VRLDVWCIJWDKSO-PKOBYXMFSA-N 430.530 0.352 30 10 ICEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2255777797 JEPWYDWCLPOSSR-OAHLLOKOSA-N 449.386 0.913 30 10 ICEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 446140987 UFLNVTLNNOCJEG-MLGOLLRUSA-N 448.530 0.499 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 461325851 NHKKNNYWALNBAB-UHFFFAOYSA-N 430.552 0.105 30 10 ICEE N#Cc1cccnc1N1CCN(CC(O)CN2CCN(c3ncccc3C#N)CC2)CC1 497765621 AMRUORRXZZOGKC-UHFFFAOYSA-N 432.532 0.525 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 554035780 HZYSAHTXEHFPCV-AEFFLSMTSA-N 448.549 0.624 30 10 ICEE COC(=O)CN(CC#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 573295775 KMMODLDWYLGDFW-RCCKSBRTSA-N 433.464 0.991 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 603798857 PGJOPJIMLOOJOF-ZDUSSCGKSA-N 449.479 0.633 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CCN1CCOCC1 610929073 XQPJUMYOJQOPSN-UHFFFAOYSA-N 438.962 0.206 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CCC2)CC1 736071428 FYLCYVKVWXCKDI-UHFFFAOYSA-N 425.532 0.925 30 10 ICEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCOC)c1=O 802722114 HEEREBIKHLTPCF-UHFFFAOYSA-N 430.530 0.661 30 10 ICEE COc1ccccc1C=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1 1084387968 JGQRTHGRBIFKJE-UHFFFAOYSA-N 441.477 0.695 30 10 ICEE C#CCN(C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1116463007 RPQGKTDSHHQGAU-LSDHHAIUSA-N 440.547 0.774 30 10 ICEE C=CCn1cc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1129930533 KPCCDYKNIQBZAT-UHFFFAOYSA-N 435.506 0.353 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 1140626492 GYLDJJUFURXFGE-UHFFFAOYSA-N 441.531 0.617 30 10 ICEE N#Cc1cc2c(n(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c1=O)CCC2 1166891164 HXDXVXXDHFWLJR-UHFFFAOYSA-N 426.498 0.742 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)CC1 1197202035 KXGZUAUCQFZFGB-SFHLNBCPSA-N 429.496 0.514 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1286313489 AXPBEIZSGYVCGG-AWEZNQCLSA-N 431.584 0.705 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286505341 XWOLVUYVZGMARF-HUUCEWRRSA-N 440.595 0.361 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1301404623 PILDUVAIPBLZPF-OHZJNBGDSA-N 443.595 0.701 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1301922967 OBYGWHDJFOHSSF-VXPUYCOJSA-N 443.508 0.052 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359031140 RFYYCXUENWGXJU-KNKQGSTJSA-N 433.553 0.737 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOCC 1359298510 CCYMDNKFFPEDTP-UHFFFAOYSA-N 425.493 0.967 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CCC1 1511888650 FCBFKJBUWTWXFS-CQSZACIVSA-N 430.538 0.931 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539221455 OMPCZYSWBMONCA-DLBZAZTESA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539230312 LLJDRHOEYLSRLD-IAGOWNOFSA-N 438.529 0.751 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1540861645 ALDIPLLVNGVCEG-UHFFFAOYSA-N 449.519 0.410 30 10 ICEE CCN(c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1547346390 YTBQHVBGMKWFRU-HFUDNHEJSA-N 436.538 0.941 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1555807600 YWBFVFNCDYILST-UHFFFAOYSA-N 426.506 0.911 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1594089862 ARQYCFDHUWLGDU-OAHLLOKOSA-N 440.595 0.764 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCCC(C)C)cc2)CC1 1671154019 BLLWLSNJRNVGQU-UHFFFAOYSA-N 429.564 0.885 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1690264982 HZYSUBQQINMUAW-RHSMWYFYSA-N 432.568 0.132 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690668608 BREJLIGDTXZWFJ-KRWDZBQOSA-N 425.541 0.254 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705561805 WNCPVEWDTMMPGB-UONOGXRCSA-N 429.568 0.315 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705564861 DFQGDDLVTXKRHH-MRXNPFEDSA-N 439.501 0.814 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1705583075 PMTCXARMTUSIFP-ZWKOTPCHSA-N 436.582 0.414 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1705583251 TWGCQXOCCZERFX-RTBURBONSA-N 433.578 0.490 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 1722582215 MUOKGVFIIDYWGV-MRXNPFEDSA-N 440.570 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722729090 DYLRGCBTPASAQV-GOSISDBHSA-N 438.579 0.936 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCN(C)C1 1723337392 GDAQPIZLFQKYGC-HTAPYJJXSA-N 439.568 0.920 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1COCCO1 1741663428 QXPFZXKGBLENSK-MRXNPFEDSA-N 441.492 0.757 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C1 1741987478 DBHPHGILQUVWBC-XOBRGWDASA-N 428.497 0.519 30 10 ICEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748770741 DNLGDZUSZDVOIZ-APOCOGJHSA-N 428.493 0.915 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1748951487 WIUPAJMLQHDDBA-HOTGVXAUSA-N 435.554 0.433 30 10 ICEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1749693735 HIVRLBQYCZJKAW-INIZCTEOSA-N 428.497 0.622 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760205711 IBLOGGONEYGBKR-GBESFXJTSA-N 433.578 0.752 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1769984880 XOCWUJHLSZIKEM-BEFAXECRSA-N 441.554 0.682 30 10 ICEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1770474872 DQNLUPMSCIYRJH-INIZCTEOSA-N 433.582 0.957 30 10 ICEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1771358813 QFXHSEHIRRJYJA-UHFFFAOYSA-N 445.549 0.810 30 10 ICEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3=O)CC2)cc1 1855449225 XQNNGNQSUVAXAO-LPHOPBHVSA-N 431.514 0.964 30 10 ICEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN(CCOC)CCOC 1870541747 HSIWYSIJUFFQBN-IBGZPJMESA-N 437.537 0.803 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](O)C1 2076810338 FVQXEVFOMCLRNG-SELNLUPBSA-N 444.532 0.956 30 10 ICEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2247880308 DNTIEBTXXAXZOA-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267269093 BXFSUGFELYISEJ-QWRGUYRKSA-N 445.251 0.786 30 10 ICEE C=CC[C@H]1COC[C@@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310021 JDYXTERSBJQQFM-YESZJQIVSA-N 426.491 0.965 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4cccnc4C#N)CC3)C2=O)n(C)n1 428375687 PLFYPMFONCEPEC-QGZVFWFLSA-N 443.533 0.497 30 10 ICEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 469938515 KLYANJSMEHQMJB-KBXCAEBGSA-N 430.486 0.911 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477845167 NSYWIRKVCXKOJZ-INIZCTEOSA-N 447.561 0.286 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)CC1 503439711 WCMQJBGWSPWSAN-UHFFFAOYSA-N 435.531 0.786 30 10 ICEE COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)cc1OC 568436382 JXVWCCHXSIBDMD-KRWDZBQOSA-N 428.489 0.679 30 10 ICEE C#CCN(C(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 729334723 BRUAQFKYSZWZCJ-MRXNPFEDSA-N 428.532 0.864 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732706740 NGTFSLBHWKUYAM-SFHVURJKSA-N 445.545 0.998 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)o2)c1=O 743727591 CHXAKYLJEQWQET-UHFFFAOYSA-N 431.495 0.291 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 805320870 OAMCFRSJRWEDEH-KRWDZBQOSA-N 447.538 0.791 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134279433 OHFQHJJTVRMFLP-QKLQHJQFSA-N 433.486 0.421 30 10 ICEE CC1(C)C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 1157715768 HIUIWZHPMQADCQ-CYBMUJFWSA-N 427.548 0.977 30 10 ICEE Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)s1 1230589273 JMBAFNKQQWUZEE-BBRMVZONSA-N 446.576 0.223 30 10 ICEE C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(S(C)(=O)=O)cc1 1254400126 RGLFBPZCLOLRPI-DHSIGJKJSA-N 425.532 0.773 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1286380388 ICXHBEJFKSLZDK-INIZCTEOSA-N 437.566 0.956 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1286824056 URPWCKMCOFPKHK-MRXNPFEDSA-N 449.537 0.381 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1286966729 BEQBHVLBMYSERF-OWCLPIDISA-N 426.543 0.633 30 10 ICEE CCn1c(CCC(=O)NCC#CCO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1297017044 SNGBICWFMOPHET-UHFFFAOYSA-N 434.518 0.122 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1300365282 SJOBQLIMBYWCPR-KRWDZBQOSA-N 425.555 0.623 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301497057 MTKAXQZBFFPDDW-ZDUSSCGKSA-N 445.480 0.585 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(O)cc2)C1 1302483511 GOIQBEOVDIJRLQ-SJORKVTESA-N 448.505 0.094 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CC1 1308057503 QCZQOHGBFWRPMW-NLWGTHIKSA-N 434.537 0.901 30 10 ICEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1316361391 BFDJVNHAISSNLM-IVAFGUPBSA-N 427.552 0.210 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1359069971 CCAMPADRCNUQAB-QFBILLFUSA-N 434.522 0.948 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359297630 WOMLDVRUROKNIE-UHFFFAOYSA-N 441.536 0.661 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 1468433382 DEDMLRHDMOUGED-UHFFFAOYSA-N 433.534 0.217 30 10 ICEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1479358237 ZGPCYABPRZMPGQ-UHFFFAOYSA-N 429.568 0.689 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1507984132 ULNIAAMJYQTWJB-LOKFHWFJSA-N 433.600 0.780 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1513408116 HDASNKDOUDABMV-INIZCTEOSA-N 438.554 0.750 30 10 ICEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCOC3)n1CC(=O)NCC(F)F)C2 1555988343 XWKITMQXKARYFL-LLVKDONJSA-N 433.419 0.698 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(C(C)C)c2)CC1 1561869282 PFAIGGZTRULPKY-UHFFFAOYSA-N 429.564 0.983 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1588029441 HZRFLNVQVHXSMS-INIZCTEOSA-N 433.538 0.330 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1593746551 IDQIMWDNOBCOCE-SJORKVTESA-N 437.566 0.974 30 10 ICEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1617666612 DLKDNYCFLOENEJ-HOTGVXAUSA-N 431.522 0.418 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n[nH]2)c1C 1627713976 SASHXVNPLOUUEZ-QZTJIDSGSA-N 448.549 0.304 30 10 ICEE N#Cc1ccc([C@H]2CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1648467200 YGGZTDNDSVJXHG-HXUWFJFHSA-N 428.514 0.938 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2cccc(OC)c2)CC1 1650846475 YZSBLIBUJQXDKO-UHFFFAOYSA-N 449.558 0.585 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)[C@H]3COCC34OCCO4)CC2)c1C#N 1673532136 BBISQGMRXCVRAV-QGZVFWFLSA-N 432.525 0.848 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689979534 CSJLGQFBRSQGBT-HUUCEWRRSA-N 443.595 0.705 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)CC1 1690111779 JVEHWEUXZYBZEX-CQSZACIVSA-N 437.595 0.651 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1690190327 RJNFXZDVMBNTTM-OXQOHEQNSA-N 438.598 0.727 30 10 ICEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690479042 SMMUPZSQQNONTI-UHFFFAOYSA-N 439.520 0.814 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1705573430 GRPTWCSQLGIRTO-MRXNPFEDSA-N 444.565 0.522 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)CC1 1705642246 MKTZJKSRLIRROV-UHFFFAOYSA-N 429.569 0.003 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCOC2)CC1 1705650876 BDTVHFPEYMLHHD-QFIPXVFZSA-N 441.536 0.257 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCCOC)C1 1705890869 NMMURTMGZRNVPR-HZPDHXFCSA-N 429.543 0.286 30 10 ICEE CN(Cc1ccccn1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1711098279 ARUBNMPWDWMBGJ-MEUCICPISA-N 436.476 0.787 30 10 ICEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722331927 AVLFQXBNXPROSQ-MRXNPFEDSA-N 434.522 0.835 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1722444830 OVQHDWRAWITIDE-UHFFFAOYSA-N 427.505 0.980 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722699301 UFFRKYZZZUVFHU-CABCVRRESA-N 433.538 0.210 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)(F)F 1723960717 UTKMCHOAABJZBS-GHMZBOCLSA-N 426.421 0.544 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1726446923 RDAWPCOFYGSVFQ-RMYFCYLKSA-N 438.492 0.477 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740963202 CUZVWLDEUQFGIU-AWEZNQCLSA-N 445.549 0.664 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1749668672 CHAJSGTUEZSUPU-MAUKXSAKSA-N 429.477 0.944 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760185895 GPXFSVLSQZGRDY-QGZVFWFLSA-N 443.508 0.812 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1760210375 RHUSKBHIKKVDRD-MRXNPFEDSA-N 444.565 0.717 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760554107 RKBYDOPHAOFNBO-HOTGVXAUSA-N 433.538 0.527 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 1767464542 MXZCUDVNTVDNHF-CRAIPNDOSA-N 438.467 0.891 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1850089124 AGDHFLFFVBHJIN-UHFFFAOYSA-N 432.951 0.905 30 10 ICEE CN1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267136395 KBIJRHYWNNBCMK-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE COc1ccc(C#CCO)cc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2296211900 WHHIKONUCJUBRP-UHFFFAOYSA-N 428.466 0.755 30 10 ICEE COCCN(CC(=O)N(C)C1(C#N)CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 11563846 RJVXOTORACFGFQ-UHFFFAOYSA-N 434.541 0.912 30 10 ICEE CCCc1nn(C)c2c1N/C(=C1/C=C(S(=O)(=O)N3CCN(C)CC3)C=CC1=O)NC2=O 144166714 KAEICQYZBAMCKD-XMHGGMMESA-N 446.533 0.340 30 10 ICEE COCCN(CCC#N)S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 409495800 YXHSPTUXNZREPL-OALUTQOASA-N 435.550 0.282 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 524515906 HRPAGPHDNUXOEM-UHFFFAOYSA-N 432.544 0.577 30 10 ICEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 730143855 DXCAEIQSLSRPOM-UKRRQHHQSA-N 437.570 0.427 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCN(Cc2ccccc2)CC1 741339201 CNDPMALWFHUOMC-DQRAZIAOSA-N 426.473 0.791 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 790102327 AAANDGGAPRXIGZ-UHFFFAOYSA-N 425.401 0.696 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccnc(C#N)c3)C2)CC1 793595395 QGZIZZKTSPGZJM-UHFFFAOYSA-N 435.506 0.660 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OC)c2ccc(OC)cc2OC)C1=O 1127239935 VQTQKYBKSYQAHV-AWEZNQCLSA-N 433.417 0.401 30 10 ICEE N#Cc1cccc(C2(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCOCC2)c1 1147811012 RGQWNUFVSCSTLF-WMZOPIPTSA-N 431.514 0.716 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 1152967478 ILUBOPCSVLSRJZ-INIZCTEOSA-N 438.937 0.300 30 10 ICEE C=CCOC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OC 1155779597 QGLQYBGRZWSEAH-AWEZNQCLSA-N 446.547 0.615 30 10 ICEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156675208 DBKUJHBVKSFOEH-RAKLQZGLSA-N 427.523 0.798 30 10 ICEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 1248552116 GLXNBWFLDVBDTP-CQSZACIVSA-N 431.497 0.514 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC)CC1 1286479446 LJWGELRNSPTBSP-UHFFFAOYSA-N 434.522 0.196 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1286796399 RSRLCWKSEARVRI-GDBMZVCRSA-N 448.549 0.813 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1286818729 ZUCXWJFCMVGBFZ-OLZOCXBDSA-N 437.613 0.431 30 10 ICEE CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1296203492 ADHDYZZICIAFFB-LJQANCHMSA-N 449.625 0.948 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300501199 HSHSZCMSYMZFRZ-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1300916434 XBCYBUPAFQGZOU-APWZRJJASA-N 443.570 0.819 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301016695 BIQWAVVBKWKXKA-GFCCVEGCSA-N 442.933 0.228 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1301296834 KAFKCGYFDBCRJK-OAHLLOKOSA-N 439.563 0.693 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1301589370 RGCVEIORRPONEI-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1359333506 ZWRJOTXJEZWAIU-HNNXBMFYSA-N 444.579 0.398 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507640786 WCAVFNOYERCEAY-QGZVFWFLSA-N 437.566 0.842 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507716319 PVSJZEKFSCRKON-KKSFZXQISA-N 425.493 0.221 30 10 ICEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1544727848 DNNPEUSMYQQYOB-QQNRWZHASA-N 444.506 0.069 30 10 ICEE CN(C)CC#CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1557899606 SQHAQYAQVMVMBG-INIZCTEOSA-N 449.982 0.103 30 10 ICEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CCOC)c1 1570082870 HUXLZGIBKTZBME-UHFFFAOYSA-N 434.312 0.986 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1587856566 NGLDYXMPRVAREH-MOPGFXCFSA-N 434.610 0.810 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1587908989 ANHWNYAXQHOQCN-ZDUSSCGKSA-N 435.497 0.789 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588049245 CTTKSXWLBGEWHR-QGZVFWFLSA-N 442.545 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588050103 PAMAAXCPEYQVTK-JKSUJKDBSA-N 436.582 0.444 30 10 ICEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1593695461 FIPIVCAHTHYTPM-INIZCTEOSA-N 446.556 0.851 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)F 1611706571 ATCAYXHXGNPIQP-GXTWGEPZSA-N 447.512 0.694 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1612886699 PFMUEZSJUAYGEO-QFPXGYFVSA-N 443.508 0.656 30 10 ICEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)no1 1613870804 ABRUQBLITMOMSO-INIZCTEOSA-N 436.476 0.956 30 10 ICEE CN1CCN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 1625141386 WHMDWXFIEAHIQY-UHFFFAOYSA-N 427.530 0.793 30 10 ICEE Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1632518560 MXBPHXGHCDSRLG-UHFFFAOYSA-N 440.313 0.265 30 10 ICEE C[C@H](CC(=O)N1CCN(CCc2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636359620 VRYODNDBSUURLU-MRXNPFEDSA-N 442.545 0.681 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(Br)cc2NC(C)=O)CC1 1659906518 FOTJIKMIJQNSFE-UHFFFAOYSA-N 429.340 0.993 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNS(C)(=O)=O)CC1 1690132645 VBIRLOZTHFKJSX-UHFFFAOYSA-N 446.577 0.778 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1705494981 JAEYIDBKJMTBFU-YOEHRIQHSA-N 446.533 0.216 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC)c1 1705506891 LJQMWQUSFKJRQC-INIZCTEOSA-N 446.533 0.387 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)CC1 1705632405 OUPXOBDZVVYOPM-OAQYLSRUSA-N 425.493 0.486 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1705705705 KLCYPGKDFALFSH-VQIMIIECSA-N 431.541 0.843 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1705901477 MPQVGGAOAOKTNX-UHFFFAOYSA-N 429.481 0.367 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCOC2)C1 1705936564 TWDBTHBLQPZRJA-VQIMIIECSA-N 426.539 0.769 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1722384383 QAMVSZRPFNCRTI-GOSISDBHSA-N 436.582 0.414 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722418781 CPCNHCIQEVCUEC-UHFFFAOYSA-N 436.516 0.934 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740617708 VUICOYBMWAODNU-CVEARBPZSA-N 443.595 0.871 30 10 ICEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740748177 BMNDCFFHJRQSBA-UHFFFAOYSA-N 443.346 0.896 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn(C3COC3)nn2)CC1 1760251740 HDRNDQUVUIEJFR-UHFFFAOYSA-N 441.540 0.163 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1768634156 LWZNNDHKIQAWKT-KRWDZBQOSA-N 446.533 0.798 30 10 ICEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)Nc1ccc(C#N)cc1I 1853066930 GMYNIVQOKLAKSY-LBPRGKRZSA-N 433.227 0.704 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1 2255606622 TWKXBLSKFFEQJZ-RYUDHWBXSA-N 437.306 0.136 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](O)C1 2267165413 FFEZFAHCTKHTIE-HUUCEWRRSA-N 448.329 0.876 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 2282840365 MWEGHNQPZFQVEG-GFCCVEGCSA-N 428.320 0.030 30 10 ICEE C#CCOCCOCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286037499 ZZAFWCWFZNQRBL-KRWDZBQOSA-N 442.490 0.040 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)c1 431019378 OLYYYDOPQOPDSE-UHFFFAOYSA-N 440.525 0.709 30 10 ICEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 478740654 ABRLMQXAOQCLNT-RDJZCZTQSA-N 425.510 0.983 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 523767601 RUWVHFXPKAJPMV-LJQANCHMSA-N 429.521 0.426 30 10 ICEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)n1 556540624 HOLUUDCCQGZWGL-QGZVFWFLSA-N 434.460 1.455 30 10 ICEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC1)C2 566533714 VYGNNXQMTNULLK-ROUUACIJSA-N 431.562 0.606 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CCN1CCOCC1 572988069 DVBACPRKBFEVHM-UHFFFAOYSA-N 438.962 0.206 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727418688 VOJYROPBIDOPKQ-UHFFFAOYSA-N 436.493 0.502 30 10 ICEE CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1=O 734294559 UFGNDLJIKFWJJS-UHFFFAOYSA-N 426.454 0.868 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771298285 UVSQTSHTAUFAGY-YCRPNKLZSA-N 447.513 0.420 30 10 ICEE COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790356855 RTACBSNKSSFCIT-UHFFFAOYSA-N 449.536 0.867 30 10 ICEE C[C@H](C(=O)OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)n1cnc(C#N)n1 798747993 QCDUAPSLKWCRGI-CHWSQXEVSA-N 437.503 0.531 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 801516361 DMTAGGOHFFXGDR-WUKNDPDISA-N 444.872 0.790 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 812493731 SVIMMHUCILRMAT-INIZCTEOSA-N 449.595 0.685 30 10 ICEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 895033478 BJYLXSISBJNUGW-CQSZACIVSA-N 439.490 0.573 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 917767970 INHUGTPWAFSFHE-CYBMUJFWSA-N 434.543 0.119 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]12 1174641866 ONGNIFHLSQUZED-BBWFWOEESA-N 430.448 0.917 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)n(Cc2ccco2)c1C 1198061075 OLYFBGRYBOFBIH-HNNXBMFYSA-N 432.506 0.391 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CC1 1200003447 NBLWIKAFAYRYRZ-UHFFFAOYSA-N 443.551 0.374 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286387672 TXNUGDYHDHNRRW-HNNXBMFYSA-N 430.534 0.946 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286398153 GZXNZIRVHSYBPN-BBWFWOEESA-N 438.550 0.544 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286592753 UGEHLBDIDFGKJM-JKSUJKDBSA-N 443.595 0.761 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1300537135 AJMBMEBFHRXPMD-GBESFXJTSA-N 449.577 0.745 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1302456965 HCZPEHCCZAGDHJ-KRWDZBQOSA-N 443.533 0.902 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)CCO1 1316540726 NIWBCFRSJVIUKL-SFHVURJKSA-N 432.525 0.963 30 10 ICEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1319282953 CKDZPDYPXQHIGN-DPHDRGAJSA-N 432.481 0.728 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358954922 ATFHFZRFAVMHBI-CABCVRRESA-N 428.580 0.637 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1359306280 AWLQFQBLBJLRFR-RDJZCZTQSA-N 435.529 0.156 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359331608 DLQBOVQLAJHPJQ-JYJNAYRXSA-N 439.538 0.214 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2=O)cc1 1448849743 SXNDCCXZPFSTFX-SJORKVTESA-N 425.420 0.100 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nn(C)c(C)c3C#N)c2)CC1 1461173643 NVFWFCNBROEFHZ-UHFFFAOYSA-N 430.490 0.705 30 10 ICEE N#C[C@@]12CN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C[C@H]1CS(=O)(=O)C2 1462991450 WPYZFBCFDKANPY-NHYWBVRUSA-N 426.380 0.691 30 10 ICEE C#CCN(C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1464383235 OFKKQMODPODEBG-LIRRHRJNSA-N 425.507 0.791 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)CC1 1475622120 CWIGWKBDSATGPH-ROUUACIJSA-N 427.548 0.104 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1507616700 MKTJMVWQSISXEG-JTQLQIEISA-N 442.286 0.668 30 10 ICEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507951199 CIJZOUJMEBGDQN-CQSZACIVSA-N 443.533 0.383 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1508088597 TXJFUJSYOJRLTK-UHFFFAOYSA-N 444.496 0.160 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539216359 QVBMEPFGMSDVQP-HJFSHJIFSA-N 434.547 0.273 30 10 ICEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539231194 SWDLEAGETGXXMU-QGZVFWFLSA-N 441.513 0.880 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1539409163 QINPTHUZOZQVEG-OAHLLOKOSA-N 435.488 0.557 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)OC)CC1 1539482320 SIEVSZIVGRWVMI-SJORKVTESA-N 437.566 0.571 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539517637 QFOYSLNKTBMKAJ-ROUUACIJSA-N 432.594 0.891 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CC2)C1 1540897309 GNZZTJYLMLEMDH-ZFWWWQNUSA-N 431.584 0.725 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541092784 WXGQTKWSIINVEI-KRWDZBQOSA-N 437.508 0.349 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)cc1 1543124990 WOINBBLXKMYRNS-PCRZZNJMSA-N 444.517 0.868 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1554445164 WUMIOGXRYJPGDE-ZWKOTPCHSA-N 426.477 0.573 30 10 ICEE C#CC1(O)CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 1557604567 VSEFCYMWNBHWAG-UHFFFAOYSA-N 447.513 0.756 30 10 ICEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 1561117287 PEIPXXYEDROVOQ-UHFFFAOYSA-N 442.607 0.604 30 10 ICEE C#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)OC 1561641605 TVGVGOKBOKEJGN-LBPRGKRZSA-N 428.410 0.370 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1587562858 ULMUOVASQCRINU-GVDBMIGSSA-N 426.587 0.703 30 10 ICEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CC2)c1 1620351695 GOVMNZUXNPSYLP-SFHVURJKSA-N 427.509 0.774 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)CC2=O)cc1Cl 1635345904 LGMXRKDGKWPHTB-ZFWWWQNUSA-N 425.894 0.573 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1635597633 YHOAJTZUQZIHJM-UHFFFAOYSA-N 437.371 0.953 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2cccc(Br)c2)CC1 1643369904 LUHONJZUTSWJKY-UHFFFAOYSA-N 430.324 0.830 30 10 ICEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1649677847 VWVYWTASHUTICL-UHFFFAOYSA-N 445.549 0.718 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CC1 1673454700 UWLJBCYKXXCFBH-QZTJIDSGSA-N 449.577 0.913 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1682795438 WZQZPBGFYKSPBL-UHFFFAOYSA-N 437.522 0.874 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689987861 DIOISIJCTMUSMT-INIZCTEOSA-N 426.506 0.627 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690678305 ROXJMNXOQJYTID-UXLLHSPISA-N 441.554 0.318 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1690725000 BDJBNOPZJCLHBF-FQEVSTJZSA-N 433.534 0.860 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705532915 SCJNNKCNRSHHTM-LSDHHAIUSA-N 429.568 0.112 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1705653971 UNQPLRCCMYTGCW-CYBMUJFWSA-N 436.554 0.642 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1705830456 PXVJOEWSZPTMSE-KRWDZBQOSA-N 443.570 0.412 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712877609 QGGOTELARPVXOK-CECJQHFESA-N 442.455 0.369 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722436012 YPBLVRIFJXIAQT-SFHVURJKSA-N 425.537 0.534 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1722462784 XZHZLZGGRGNOAR-HZPDHXFCSA-N 443.595 0.450 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740578509 BTNCGUXHKRFVCJ-PKOBYXMFSA-N 429.569 0.819 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740620762 XTLBQQNLSLVPAX-FXAWDEMLSA-N 440.566 0.982 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740637142 RKZJLKIDNCWCIS-UHFFFAOYSA-N 428.456 0.071 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740655921 GIMSSTMQLGDERL-QZTJIDSGSA-N 447.561 0.138 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1740678439 MIQUYIPQOWHCDZ-MRXNPFEDSA-N 446.533 0.836 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740995695 VDMASPCDFMRIRA-HNNXBMFYSA-N 447.565 0.906 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749740716 IRWUBISYYACAPQ-UHFFFAOYSA-N 430.600 0.854 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749971549 CYIVENQPPKRJBY-KDDVOAFDSA-N 443.508 0.761 30 10 ICEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1751405987 DXVRVRNEQIVHDC-QGZVFWFLSA-N 434.522 0.752 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1760123131 YOJVBARPWPACSC-INIZCTEOSA-N 443.577 0.892 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1760519666 LBYKQXXXXAZOJB-UHFFFAOYSA-N 428.493 0.981 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1760526189 HAZRARWUYKRUFN-UHFFFAOYSA-N 441.521 0.492 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)n1 1851657905 WHVOBKWEIGPMLW-HNNXBMFYSA-N 434.456 0.821 30 10 ICEE CC1(C)OB(c2ccnc(N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2266062201 SSZZVBUTQXRKQO-WCQYABFASA-N 442.247 0.740 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267260266 LSUCXLXLWLHSOF-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE O=[N+]([O-])c1cccc(B2OB(c3cccc([N+](=O)[O-])c3)OB(c3cccc([N+](=O)[O-])c3)O2)c1 195905938 CAMJLJORSAUJBC-UHFFFAOYSA-N 446.742 0.961 30 10 ICEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NC3CC3)CC2)n1 444196273 WEWAJJDYTCOOMH-UHFFFAOYSA-N 447.542 0.905 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cn1C 480696918 ZLGAXGIECCNEKH-UHFFFAOYSA-N 441.510 0.576 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)s1 514835545 IRORVHJHPBTDGQ-UHFFFAOYSA-N 446.598 0.640 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558451512 AJTKKSAUOLMEEV-ZDUSSCGKSA-N 432.572 0.079 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 566707751 XKMQPEOUGRXBRK-KGLIPLIRSA-N 435.572 0.056 30 10 ICEE COCCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732706432 JQEAYPHAKSKYEU-OAHLLOKOSA-N 433.896 0.853 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2nnnn2C)C1=O 771546910 YBTYISVDQFGCEA-OAHLLOKOSA-N 430.538 0.452 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 772453143 ZFVYGJSAFVHDRC-HNNXBMFYSA-N 446.572 0.282 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)CS(C)(=O)=O 1157836994 SRTIGKPNRCZDEP-DOTOQJQBSA-N 437.518 0.914 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1288801709 AGLAKGXAXRQKDZ-GXTWGEPZSA-N 430.556 0.063 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1300267681 IKQIHHPFOWDYGF-OAHLLOKOSA-N 440.595 0.351 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1300298316 BHCAFQWHODYSKD-LZWOXQAQSA-N 437.518 0.666 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1300412114 YCMRSTVAZBESDW-DLBZAZTESA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300496446 RKNNMKPDDIIBDO-MHORFTMASA-N 438.550 0.460 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccn(C)n2)CC1 1301125647 PQPHXYNANZHGBL-KRWDZBQOSA-N 435.554 0.795 30 10 ICEE N#Cc1cn(CCNC(=O)c2c(F)cccc2I)c(=O)nc1O 1301213664 RPALMGVYICHKCL-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1316102231 UULHCECSIMDODM-DLBZAZTESA-N 440.570 0.820 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1320673019 IFYXTRVMCHXZHM-UYAOXDASSA-N 442.516 0.927 30 10 ICEE CN(C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1)S(C)(=O)=O 1442421352 YNGDUHZROHKAGA-QGZVFWFLSA-N 447.517 0.646 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1507738548 RFHIXUHXJPUTOK-INIZCTEOSA-N 440.552 0.949 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)CC1 1508072106 GRQXPWVUFXKPBT-UHFFFAOYSA-N 427.328 0.907 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)C1 1508115730 PJRNOUJATKOJCB-RBSFLKMASA-N 447.583 0.104 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1511975196 GHZJWNOXRFUFAT-MCFFVMPBSA-N 440.504 0.936 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1517624151 AWQSVXSDESENRW-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1539148816 OAGWDGBMFCMKCL-KRWDZBQOSA-N 438.598 0.993 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1539517967 UPHMCVMBPAWOHG-OAHLLOKOSA-N 425.580 0.638 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c(=O)nc1O 1585794806 HAEVCQXJDPUKEH-SFHVURJKSA-N 436.472 0.160 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588030669 ZJMWNVOXVNOPBV-HNNXBMFYSA-N 437.566 0.484 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588065081 SYGXSQNDNYAEQI-HNNXBMFYSA-N 431.547 0.734 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588069085 HCLDZQBLNCOKIM-INIZCTEOSA-N 446.533 0.680 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 1588199015 FNEQBLLTABEBEV-ZDUSSCGKSA-N 430.324 0.828 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1588646401 JMGLXDHXVSJXBW-KRWDZBQOSA-N 433.534 0.496 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 1596227355 XVANYWCWOBTLEC-UHFFFAOYSA-N 427.482 0.629 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1636586602 UZDNEHQASBGSCN-UHFFFAOYSA-N 429.521 0.995 30 10 ICEE C#CCNS(=O)(=O)N1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 1640325994 GZZBQXJDRFGEHL-UHFFFAOYSA-N 428.234 0.848 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC#C[C@H]3CCCCO3)c2)CC1 1648586345 JVUOTKMJCVHHJV-LJQANCHMSA-N 433.530 0.842 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690745107 XWPZUMFZKROCMS-KBPBESRZSA-N 436.625 0.969 30 10 ICEE Cc1nnc(N2CCN(c3ncccc3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693552051 HBCXKIBCMAMDHI-HTXNQAPBSA-N 426.456 0.974 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1705565954 LBRNNARLTHXMQP-CVEARBPZSA-N 444.579 0.581 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1705574140 VTMUCPLAGLPJRW-HNNXBMFYSA-N 441.517 0.717 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1705625272 FAHZQJIATOBIKZ-QGZVFWFLSA-N 448.524 0.900 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1705819964 XTOOZFIAWMUVCU-MRXNPFEDSA-N 441.554 0.967 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1722419433 AEBNAYFWEQKGGF-OAHLLOKOSA-N 436.538 0.030 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626754 YSLUXKYCMUWDLO-GOSISDBHSA-N 429.546 0.778 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)CC1 1740694858 WAWPPJBBWQMMOU-SFHVURJKSA-N 427.553 0.776 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1746700348 LKMIQYXWMMWOMZ-DLBZAZTESA-N 430.506 0.311 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748817862 RSQCRBYWVUCTFY-CVEARBPZSA-N 428.580 0.524 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1750059536 ARJGAGUJJYXHKG-WCXIOVBPSA-N 441.602 0.983 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1760155052 OQOXSTLHAXANPQ-DLBZAZTESA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760190440 QRPGEKCERIHIFD-ZWKOTPCHSA-N 433.534 0.552 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C(C)=O)CC1)C1CC1 1760471433 VTHMJBUAEPMFAL-HNNXBMFYSA-N 439.586 0.207 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1760554996 SYRJZQRRJOKKQN-CABCVRRESA-N 432.568 0.396 30 10 ICEE CCOC1CC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1766109900 FPVNXBZLGVPTON-LBDPXKHJSA-N 426.543 0.822 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1769089979 CZVPRSVNJZJWBN-OAHLLOKOSA-N 446.533 0.850 30 10 ICEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1769319244 AUZZFPNAUBRYRE-MRXNPFEDSA-N 442.524 0.731 30 10 ICEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1891957400 CUHXGZKPVMNDKU-GFCCVEGCSA-N 436.384 0.922 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699656 YTEZPPDZKZQMII-UONOGXRCSA-N 434.302 0.798 30 10 ICEE Cn1nnc(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 2255867265 ZWYNHXQRQADVNG-CLLJXQQHSA-N 433.318 0.709 30 10 ICEE CCc1nnc(CN(C)C(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)o1 20921533 ZFOCICXTKCFWNT-KPSZGOFPSA-N 447.529 0.911 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@@H]3CCCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204888960 CFNITPVYFRYGIR-RDJZCZTQSA-N 435.330 0.527 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCN3C(=O)[C@@H](O)CO)C3CC3)nc2)OC1(C)C 215694558 RMPDYOFHJICZJZ-IRXDYDNUSA-N 432.330 0.089 30 10 ICEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCC2)c1=O 431023474 MEVYUTHCYSIXDM-UHFFFAOYSA-N 448.346 0.912 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3-c3ccccc3)c(=O)n2C)CC1 447782863 JXLIUGZDFZVNEX-UHFFFAOYSA-N 448.552 0.300 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 495791034 YBFGCDFREQAKMX-SJLPKXTDSA-N 448.545 0.855 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 603797265 CFTITLZWNVDAAC-KRWDZBQOSA-N 427.526 0.663 30 10 ICEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 729332223 WNNBNFJEGXWZER-MSOLQXFVSA-N 448.541 0.744 30 10 ICEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 749387144 DSRLMWHVACQWOE-UFVMTTLYSA-N 427.436 0.997 30 10 ICEE CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 751832620 RAEWOCYWXZDOGK-UHFFFAOYSA-N 425.539 0.702 30 10 ICEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)[C@H]1CCS(=O)(=O)C1 774170083 DRJFHXXSFKLFKE-INIZCTEOSA-N 427.548 0.705 30 10 ICEE C#CCN(C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 774196479 ZXAKLSSOXVEWBF-MRXNPFEDSA-N 428.555 0.371 30 10 ICEE C[C@H](C(=O)NS(=O)(=O)c1ccc(I)cc1)n1cnc(C#N)n1 798853802 SZGZUPCGWFZOLP-MRVPVSSYSA-N 431.215 0.820 30 10 ICEE C[C@H](CC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 803419515 ADVBTCJQDHVETJ-KGLIPLIRSA-N 442.563 0.386 30 10 ICEE 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@H]1CCCO1 1138447247 OXXOAWDOAFLMGE-DRRXZNNHSA-N 426.535 0.954 30 10 ICEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1166996077 LBTPCHOQBHOPBM-XHDPSFHLSA-N 426.422 0.690 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1286817061 ORGRFJGTTMTSHW-HNNXBMFYSA-N 449.533 0.875 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)CC1 1286818274 FOYGLDLARVCUCR-UHFFFAOYSA-N 444.565 0.945 30 10 ICEE CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1296951384 BTFPWEXNIXYYRY-VTPHTMIKSA-N 430.506 0.260 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300498099 GRUMOSGUTBAUIC-HNNXBMFYSA-N 431.584 0.043 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1300672246 WZZXJYYQIGCTEJ-KRWDZBQOSA-N 439.582 0.377 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301036449 CZRANJNMQZEUKI-AWEZNQCLSA-N 435.916 0.253 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1304910442 IMSNAKITORSERD-NYHFZMIOSA-N 437.504 0.874 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1314962196 CDRDKUNXIDTBSF-MAUKXSAKSA-N 428.493 0.962 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358933565 XQRYHQIGTYGSPB-UHFFFAOYSA-N 441.536 0.085 30 10 ICEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1358938461 BEUCMHYAWVGVSP-ATIWLJMLSA-N 427.505 0.879 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358954917 AOZBPUUVUGABRZ-SFHVURJKSA-N 442.545 0.779 30 10 ICEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCN(C)CC1 1439600787 FRHSRLKMUFUJPN-UHFFFAOYSA-N 425.576 0.868 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)C2)C1 1443862367 AVCOLDHRZIRDHV-LPRCSBTHSA-N 426.539 0.923 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 1455115858 SSKHXOCULOTOAV-MRXNPFEDSA-N 440.566 0.635 30 10 ICEE COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCC[C@@H](OC)C1 1469740267 IEGAMVNMOUMAGG-HBUWYVDXSA-N 437.518 0.978 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 1471450868 KMLNFMLJLYNUDF-UHFFFAOYSA-N 444.307 0.461 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1507979984 DKNYJRRZABVJKD-INIZCTEOSA-N 442.586 0.344 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1513408044 GTGBKGGQGSJXBK-HOTGVXAUSA-N 438.554 0.893 30 10 ICEE CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515112162 HWWQMALJCLOHTB-CVEARBPZSA-N 439.524 0.685 30 10 ICEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539868274 ITHCFYHTTNHTFI-UHFFFAOYSA-N 437.566 0.856 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540858107 HEGAKRHRFXSVEF-MRXNPFEDSA-N 445.505 0.332 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 1542951763 CCBGIWOPAKRAQL-UHFFFAOYSA-N 436.509 0.893 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)cc1 1543124972 WOINBBLXKMYRNS-CDSOJIMDSA-N 444.517 0.868 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCCS3(=O)=O)CC2)s1 1557007892 HYINPCKUALJHRO-UHFFFAOYSA-N 447.604 0.781 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1565589851 BEMIPRIVUBRNGW-JTSKRJEESA-N 436.553 0.733 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587638442 DWWXWZQMNQMHKK-SOUVJXGZSA-N 449.499 0.901 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1588073632 AZGMCAAQBCVWNH-DLBZAZTESA-N 432.550 0.900 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)COC)CC1 1595506898 PMGCDOMNWPAEHA-UHFFFAOYSA-N 442.520 0.987 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1617866574 MLTJDJNMXCPUFT-UONOGXRCSA-N 447.916 0.929 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1623849485 ANRHJDNHXDIWGW-KRWDZBQOSA-N 449.920 0.595 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 1632960132 AMPSUZGVOCTJKY-UHFFFAOYSA-N 430.317 0.795 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1638647758 FTKBTSCHHSDBEI-YUELXQCFSA-N 427.548 0.833 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)C2)c(=O)nc1O 1653760654 YUCCKJMYQYUMQL-HNNXBMFYSA-N 437.456 0.521 30 10 ICEE CC(=O)NCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)C(=O)OC(C)(C)C 1654109313 FRBLPSJZMKIRGS-IEBWSBKVSA-N 437.585 0.847 30 10 ICEE CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1ccc(Br)c(C#N)c1 1671509705 BZZXSXKVRYSDNC-UHFFFAOYSA-N 425.268 0.476 30 10 ICEE C#C[C@@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C1CCOCC1 1674597558 WWTDLTLCSMJOAJ-UXHICEINSA-N 442.564 0.980 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1689852812 KZZPHRBKOPJPPB-RHSMWYFYSA-N 446.533 0.216 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1689977929 HHCAUTKRAAZGJG-MRXNPFEDSA-N 437.566 0.860 30 10 ICEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1694737995 CLRHFYHEWBPTSK-SFHVURJKSA-N 438.536 0.929 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCNC(=O)c2ccco2)CC1 1705652711 KKWJMGPOTJXPBR-UHFFFAOYSA-N 428.493 0.803 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705685873 KVRFYFKOONJXHT-OLZOCXBDSA-N 439.314 0.575 30 10 ICEE C#CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1722463852 OCCHKJBRCRWNNC-YJBOKZPZSA-N 428.580 0.920 30 10 ICEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1722550915 RXQIWOONGRCYMW-UHFFFAOYSA-N 428.902 0.840 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722703359 ZXLJAHJZWBAMDR-OAHLLOKOSA-N 433.513 0.418 30 10 ICEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740593572 JUNHCKJKARQWOR-UHFFFAOYSA-N 437.548 0.658 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1740639991 HONMKVYBCGGOFS-INIZCTEOSA-N 430.509 0.795 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1741943591 HEDQMIXBFAQXHN-SIBFUHKCSA-N 438.554 0.558 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1748260463 LKNMINXPCXRIHM-UHHPSXQGSA-N 431.497 0.618 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1748817228 GVVIABIFLOIIPD-KBPBESRZSA-N 432.955 0.559 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(=O)(=O)CC)CC1 1760389419 KGRSIMBUQHFGSA-HNNXBMFYSA-N 431.584 0.666 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2=O)CC1=O 1853824230 AEHGSKGSXXDMNR-OAHLLOKOSA-N 439.921 0.875 30 10 ICEE CS(=O)(=O)N1CC(C(=O)N2CCN(Cc3ccc(C#N)cc3)C3(CCCC3)C2=O)C1 1856589005 KSVGFVMGAQQXFH-UHFFFAOYSA-N 430.530 0.933 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870548024 RTUXJTYOAGNOLN-IBGZPJMESA-N 446.548 0.748 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)CC2)CC1 1889336131 BJIDEWTVJYHNGS-OAQYLSRUSA-N 439.560 0.835 30 10 ICEE Cc1c(S(=O)(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c(=O)n(C)c(=O)n1C 1892136650 UIABWWZMONYSRV-UHFFFAOYSA-N 433.490 0.139 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267584096 BAMIJQAVKXKVPZ-HUUCEWRRSA-N 448.329 0.876 30 10 ICEE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cnc21 500040566 QSLOKYRTAAFVEO-UHFFFAOYSA-N 428.456 0.899 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 514523756 OAFMXSMPNVLGBV-RHSMWYFYSA-N 445.516 0.882 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)n1 545502830 PDDOVLBTGWNSQA-RBUKOAKNSA-N 447.561 0.270 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732678399 ARUDXIBDYKBJOD-GOSISDBHSA-N 447.561 0.646 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1)c1cc[nH]n1 772155263 PQHXMXKKKYKYLD-UHFFFAOYSA-N 441.488 0.915 30 10 ICEE C#CCN(C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 774037645 FJJGFPNWAJXTHE-MRXNPFEDSA-N 435.502 0.822 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(C)c1OC 806610056 LGUDZVIYBJHKFX-UHFFFAOYSA-N 440.525 0.594 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccc(C)c2)CC1 1152973734 MZJPYOWROGPFTG-AZUAARDMSA-N 432.546 0.516 30 10 ICEE CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 1163096485 HBIZAZPOIZTJIC-QAPCUYQASA-N 436.534 0.615 30 10 ICEE COCCCNC(=O)[C@@H](C)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1167351037 ZKENKMKZZDYLJR-GOSISDBHSA-N 426.517 0.445 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 1179081563 AKTZASGRFXTTIR-FQEVSTJZSA-N 437.518 0.700 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCNS(C)(=O)=O)CC1 1286490378 SKLYXIOLIAIZCX-UHFFFAOYSA-N 448.524 0.599 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1312711211 WXBVXODKXVPNME-ZBFHGGJFSA-N 440.478 0.963 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358960681 JLQMDXPCIQVWMT-IAGOWNOFSA-N 429.550 0.846 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1359292101 IJJFKRIBMQVSCC-AWEZNQCLSA-N 432.550 0.794 30 10 ICEE C=CCCn1cc(CN2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1461941224 QWTDABCKYKXJPV-UHFFFAOYSA-N 440.570 0.921 30 10 ICEE CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCC1 1502395734 HRWSOORDGVVMTD-ZIAGYGMSSA-N 425.559 0.791 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508095851 XEXMBUKYKZNXCX-QGZVFWFLSA-N 429.569 0.666 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N(C)C)CC2)c1C#N 1511663471 GYEKTUPKMBWEIX-HNNXBMFYSA-N 442.572 0.607 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539200954 TWBNHECYHWZCGO-GJZGRUSLSA-N 425.580 0.939 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539704635 GDZJALKYTFTJTD-HZPDHXFCSA-N 438.554 0.388 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541661860 QRQWLIYVZHOASE-RGJVZEKDSA-N 443.508 0.560 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1=O 1587734132 DBYXJNSUIQPZGD-UHFFFAOYSA-N 445.476 0.722 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588055450 VXZQIVJMNUOGKW-FYCBBRDGSA-N 440.591 0.710 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1588930112 NVNZZETVTWIYDQ-VQTJNVASSA-N 444.580 0.595 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCC(O)CC1 1612599054 AMNFOKQHWHFVCP-MRXNPFEDSA-N 425.541 0.810 30 10 ICEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1617714727 MNRUIXWJXILFNW-WMZOPIPTSA-N 446.533 0.988 30 10 ICEE COC(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](C(=O)OC)C1 1632478670 PSZVZILLZFEDNZ-XHDPSFHLSA-N 426.422 0.690 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCCN1C(=O)COc2ccccc21)c1cc[nH]n1 1634852353 XGHNGQAYXGQIPW-UHFFFAOYSA-N 429.433 0.625 30 10 ICEE COCCN(CCC(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1637050238 AJMVRXCBKNHWHD-UHFFFAOYSA-N 425.507 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 1644281901 PPFNYHPXKXSAFM-SFHVURJKSA-N 430.530 0.140 30 10 ICEE N#Cc1cc(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cn1 1652062605 ACWRLRZTJUPZEJ-UHFFFAOYSA-N 448.405 0.917 30 10 ICEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1683556201 JZTNCHHCAKIRQU-AWEZNQCLSA-N 431.536 0.921 30 10 ICEE CNC(=O)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccc(F)cc1C 1686885561 WMFYYORTSBPQQN-TWOQFEAHSA-N 436.509 0.619 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689989985 KLPVLNNXJHFSNJ-RBSFLKMASA-N 446.620 0.558 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689994382 XFAVWHMHWONEEG-HXUWFJFHSA-N 448.637 0.885 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1690020151 ZPPSURGVWOPEPB-RBUKOAKNSA-N 448.593 0.558 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1698308626 AALZLNBFXFNZFO-OAHLLOKOSA-N 446.489 0.414 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1705792571 WLFJCNYOADKFLR-JKSUJKDBSA-N 438.554 0.942 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1722365913 FVQBWXQKQCXYLH-ZWOKBUDYSA-N 437.566 0.213 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)N2CCSCC2)CC1 1722431228 IBGSKMGJIVGRME-KRWDZBQOSA-N 440.639 0.925 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722437260 BOMKHIWKYUBMNB-LSDHQDQOSA-N 446.515 0.930 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H](O)C2)CC1 1722450163 YSHNPFSZZDWNPE-HKUYNNGSSA-N 442.564 0.917 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1740671817 PLLLICGWTOVGFW-KRWDZBQOSA-N 427.530 0.974 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1749488390 JOGRLAGTXBRKDL-SJORKVTESA-N 426.587 0.965 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760189802 LXDLAVXGCVPKET-SFHVURJKSA-N 435.594 0.968 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1=O 1767526194 HWNPPTQEAUCYQW-SSEXGKCCSA-N 428.518 0.918 30 10 ICEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1770960332 HXFRDHLZNJKPGE-KRWDZBQOSA-N 435.506 0.625 30 10 ICEE C=CCn1cc(/C=N/Nc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cn1 59832086 HNFXCLCOFZOTJT-CNHKJKLMSA-N 441.481 0.069 30 10 ICEE CC1(C)OB(c2cnc(SCCC3CCN(C(=O)[C@H](O)CO)CC3)nc2)OC1(C)C 204890965 ONAZFUZOLRSVHH-MRXNPFEDSA-N 437.371 0.850 30 10 ICEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 463641368 AQZHMWBEWXJTAQ-INSJMTBZSA-N 440.481 0.561 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478745523 KVDJSFFGNPKOHT-INIZCTEOSA-N 445.545 0.132 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)CC#N)CC2)c1 503647295 ZZPFVOCWEWAZMQ-UHFFFAOYSA-N 449.533 0.031 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)n1 545502828 PDDOVLBTGWNSQA-MOPGFXCFSA-N 447.561 0.270 30 10 ICEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1S(N)(=O)=O 565961427 BQRAZEQUCQDVSA-UHFFFAOYSA-N 427.533 0.482 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 578912083 ITORGBSZLHCSOP-GOSISDBHSA-N 429.521 0.296 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 679532478 TUMBEPXYAOXHSZ-GJZGRUSLSA-N 425.507 0.742 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 726178951 QUKLMNPQIRFXIZ-UHFFFAOYSA-N 429.546 0.094 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCc1nnnn1-c1ccccc1 767679368 LWOZLOABFOFUAY-AWEZNQCLSA-N 426.458 0.987 30 10 ICEE C[C@@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]2CC[C@H]1O2 791556161 DMJGKZCQKYAPPW-HGHGUNKESA-N 447.513 0.892 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 795082030 WVZCSVYCDSVJFE-GHTZIAJQSA-N 442.564 0.392 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 818087115 MBJYKWDKRMDXSO-XMHGGMMESA-N 425.493 0.435 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCc1nnnn1-c1ccccc1 918817578 GOKWJTWYAGCXNT-UHFFFAOYSA-N 426.458 0.877 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286389601 MXYJTMZVQICQHH-NXHRZFHOSA-N 432.550 0.856 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1286409269 JMZQXTFHWBBMGA-HNNXBMFYSA-N 434.547 0.497 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1286782557 YIZAMELJLBQJOH-OAHLLOKOSA-N 448.549 0.723 30 10 ICEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286796744 NLBBLJHTUCVNTA-GOSISDBHSA-N 442.520 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1286820767 RNCRGPDRNXMLBL-UONOGXRCSA-N 434.609 0.723 30 10 ICEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1287089677 RDKOBHMETPLHRO-BZUAXINKSA-N 440.570 0.865 30 10 ICEE CC(C)N1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288003477 APWRNKVPWWEISG-RJCBAWPRSA-N 429.525 0.839 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300384468 PZKOPCJUKZLSNE-MSOLQXFVSA-N 438.598 0.850 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1301497190 RFSZACZTZLNOLV-UHFFFAOYSA-N 438.492 0.067 30 10 ICEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1302125305 YLPANCMKALSDBE-HZPDHXFCSA-N 434.497 0.170 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1302451065 DOXMIXSEPFDCSJ-UHFFFAOYSA-N 433.538 0.574 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1313351513 GZJSCSKKYRAKGP-OAHLLOKOSA-N 443.570 0.427 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1359000043 KRIMNZXAJYGFKV-DLBZAZTESA-N 426.587 0.849 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc3ccc(Br)cn3c2F)CC1 1471451403 RYUUFRWBSXZVTG-UHFFFAOYSA-N 444.286 0.461 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1502729925 UBYXDKGMEQEOIM-JXFKEZNVSA-N 430.465 0.568 30 10 ICEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1504011600 WBBCKUDHYDLOKN-AWEZNQCLSA-N 442.467 0.976 30 10 ICEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1505120606 HBPRBKSVABJVLV-GDBMZVCRSA-N 430.490 0.410 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1507623063 QLJLDOPDTQLWTO-CYBMUJFWSA-N 444.355 0.952 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507633634 FNJABWULMPZICV-GOSISDBHSA-N 442.545 0.417 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507798596 ONEPYWMRGIPVEG-HBFSDRIKSA-N 432.569 0.973 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508096479 HBGRXEHNAIISAU-BJLQDIEVSA-N 448.568 0.463 30 10 ICEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1516963761 FHUYUEFAABJPJK-KRWDZBQOSA-N 436.520 0.906 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1cccc(O)c1 1539148114 IHOINDHMARVVSG-AWEZNQCLSA-N 434.522 0.483 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539446105 QPLBFHBYMJNLHK-OALUTQOASA-N 429.569 0.341 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CC1 1541206280 JPGWFJXQKGRAQU-CABCVRRESA-N 434.497 0.840 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554390873 YHNWAHDGFSBXTP-MHXCMXBESA-N 431.497 0.127 30 10 ICEE C#CCN(c1nnc(COCC)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588074976 VBODKNCHSGWVNY-OAHLLOKOSA-N 441.554 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cc[nH]n2)CC1 1588946356 CTSWSKYLESCHGV-UHFFFAOYSA-N 426.525 0.596 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cncc(C#N)c3)cc2)CC1 1596856557 XSAJAQRRWPZULV-UHFFFAOYSA-N 427.486 0.736 30 10 ICEE Cc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612579927 RNZFMSDOHWOJHP-IGGDJGDASA-N 427.509 0.856 30 10 ICEE CN(C)C(=O)CN1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1620584154 JLNZTJZVKVVUDD-OAQYLSRUSA-N 444.555 0.630 30 10 ICEE C#CC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1633560320 YVAYEYFNNXVXDS-OWCLPIDISA-N 426.535 0.643 30 10 ICEE Cc1ccc(CN2CCCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1660309923 LQHKZQLZNAXVBN-UNMCSNQZSA-N 430.574 0.900 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689978041 KHQGEAAEXWIPSC-MRXNPFEDSA-N 446.533 0.977 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1690140206 QBIJOTOQMNOLBM-HSZRJFAPSA-N 434.500 0.934 30 10 ICEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1690284632 NRKVCGMTJBDLJR-UHFFFAOYSA-N 431.522 0.754 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690726890 PLUZCWDIPYIMBF-HZPDHXFCSA-N 433.490 0.979 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705597057 VKJININFWALESX-MOPGFXCFSA-N 439.564 0.635 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705637606 DRYXUOXNAASYBA-GOSISDBHSA-N 446.506 0.846 30 10 ICEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1705909069 LXFBHBVIYRXQIL-UHFFFAOYSA-N 444.521 0.975 30 10 ICEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706059628 QTEXQUAJLRMZNT-UHFFFAOYSA-N 432.492 0.855 30 10 ICEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710896757 CHZXXCKSTQILAV-UHFFFAOYSA-N 432.554 0.934 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722369678 DMTSETIQBLCWQK-WDYLCZHCSA-N 426.564 0.667 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1722441113 GYWNJUSPSCAFDO-JOCHJYFZSA-N 428.512 0.818 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1730956995 TXAKICDODUHFMK-BZSNNMDCSA-N 434.541 0.842 30 10 ICEE O=C1CC[C@@H](c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1731216925 DDYICQMXBDNYJA-JTFSYWPOSA-N 435.435 0.991 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCN(C)C2)CC1 1740706058 PGOPXDJAMJRVON-GCJKJVERSA-N 430.553 0.552 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740786351 APBBUTPMZRBZMH-UHFFFAOYSA-N 427.509 0.763 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1748643877 YYRQLJFKGIIYQQ-QFBILLFUSA-N 425.555 0.812 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748785225 OHNIJUAMUFMZQQ-IBGZPJMESA-N 428.474 0.213 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N(C)C)CC1 1748972462 KISIZXMMWAULDS-DLBZAZTESA-N 449.581 0.539 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)CC1 1748972634 MGNHKUSFRSWLQW-DLBZAZTESA-N 435.598 0.128 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1760235209 FRDRLRBXEHVRAC-HNNXBMFYSA-N 437.526 0.395 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760521668 ALNSXKMPGQYUQJ-KRWDZBQOSA-N 426.525 0.818 30 10 ICEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1765351855 GBLAPWLTUPHANX-UHFFFAOYSA-N 448.535 0.687 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1=O 1854195268 ZGOOEMIBWHKQAV-HOTGVXAUSA-N 432.912 0.412 30 10 ICEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1854262625 LNVHHMUZHRCELR-GOSISDBHSA-N 430.530 0.586 30 10 ICEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1 1857249732 XAFAZDGJCXSDTJ-YJBOKZPZSA-N 430.530 0.942 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCN1CCOCC1 1870355213 NIGNKJHZKSVEPQ-UHFFFAOYSA-N 448.564 0.232 30 10 ICEE Cc1c(S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c(=O)n(C)c(=O)n1C 1891620631 YGOWEZTXZGYORF-UHFFFAOYSA-N 445.419 0.772 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2081007541 ACDMJVXKPLTAOK-XBORSJSESA-N 438.330 0.878 30 10 ICEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)nc2)OC1(C)C 2267170559 XGWAARRMAZZDHQ-LJQANCHMSA-N 437.353 0.980 30 10 ICEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c(OC)c1 409570881 SBRJDSRIOZFPAE-INIZCTEOSA-N 438.506 0.367 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n(C)c1=O 499396388 SGEOKFAVLWSPQT-LBPRGKRZSA-N 431.250 0.577 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506613980 KSPJHBZDBMQHJP-AVRDEDQJSA-N 429.569 0.896 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 523253758 YBWCRAGWNYJIFY-CQSZACIVSA-N 432.571 0.817 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 604177234 OBWBDCMPMKQRAD-UHFFFAOYSA-N 449.577 0.601 30 10 ICEE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O 616590379 QXSOYPUOFNJBDA-ODICJLLRSA-N 438.476 0.162 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 669814697 JXQQQRPUKIXBDZ-DLBZAZTESA-N 440.570 0.098 30 10 ICEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 813980608 IZHGGDKTRNWDTH-WBVHZDCISA-N 430.490 0.880 30 10 ICEE C#CCN1C(=O)C[C@H](N2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 821771627 IDTMKHMNMPLCTI-KURKYZTESA-N 446.548 0.975 30 10 ICEE N#Cc1c(CCCNC(=O)CN2CCCCS2(=O)=O)nn(-c2ccc(F)cc2)c1N 1141569829 RTZKVZKJJQVBSE-UHFFFAOYSA-N 434.497 0.940 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1146350729 HQAOWJBEMVIKQC-JTQLQIEISA-N 427.426 0.318 30 10 ICEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1162949626 STUJXKLTVHPPKW-PBHICJAKSA-N 426.477 0.342 30 10 ICEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286318859 ZDVMRGYWUVDDAA-SFHVURJKSA-N 435.492 0.676 30 10 ICEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC)CC1 1286481804 XWRAOOIPBLBPMQ-UHFFFAOYSA-N 437.552 0.343 30 10 ICEE COC(OC)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1307918323 WCLLJOKJARSYBX-LJQANCHMSA-N 447.511 0.298 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1=O 1357715984 SKHRIWCLCHGERI-UKTHLTGXSA-N 443.441 0.211 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1358949057 RQYKKSQOGQYSAK-LJQANCHMSA-N 445.545 0.858 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359021682 XKERLPAYEXAFPZ-SFHVURJKSA-N 439.925 0.629 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359223018 YOHHAEDLXMEFMT-CABCVRRESA-N 441.558 0.037 30 10 ICEE CS(=O)(=O)N1CC[C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1435566794 OOIANSDMGSRWJG-GDBMZVCRSA-N 433.490 0.161 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1439606659 BBGNCOKGAXLDLW-BXWFABGCSA-N 437.543 0.484 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)cc1 1471529145 HUUNANKLLJPGFW-UHFFFAOYSA-N 438.502 0.945 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1507672052 TYURLGSOTMVMFZ-SFHVURJKSA-N 436.582 0.414 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508095414 OPHBBQSJBQGNNV-INIZCTEOSA-N 432.525 0.477 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508137648 OYDTZKUFNOBDDF-OAHLLOKOSA-N 425.536 0.564 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509021682 MMTBCKAFDNDCAT-XBVMLYLOSA-N 429.481 0.959 30 10 ICEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1518947094 VWDXJJDFAZPQBM-SJLPKXTDSA-N 426.477 0.859 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540901603 JTFGVENXBHFGHI-CABCVRRESA-N 435.510 0.214 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)c1 1565005495 UYZRUIIVNIMEOV-QFIPXVFZSA-N 427.505 0.450 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1=O 1568184363 PVAPXUABDCKAHR-QEEYODRMSA-N 441.550 0.513 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1595516963 MEAXUOZCBYIYML-UHFFFAOYSA-N 425.537 0.766 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1595797418 GALUNEFMPQIGDJ-AWEZNQCLSA-N 434.522 0.039 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C(F)(F)CO)nn2)c1 1624892148 BYCISVQBIPGNPX-KGENOOAVSA-N 428.421 0.885 30 10 ICEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1640163226 FAGQKFBTRKMVHJ-CYBMUJFWSA-N 431.474 0.750 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cc(C#N)c(I)n1 1652916166 IPAZTMSSAWDWOI-UHFFFAOYSA-N 443.167 0.838 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CC1 1663574033 JKCHGTVGEYYPFO-UHFFFAOYSA-N 446.298 0.837 30 10 ICEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(S(=O)(=O)NC)CC2)ccc1OC 1678730793 CGTMBYWOWOWHRE-HNNXBMFYSA-N 425.511 0.668 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690142384 MTTIPLAZXNTTTF-INIZCTEOSA-N 442.545 0.741 30 10 ICEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690469302 LCWREPFVLMCLFI-UHFFFAOYSA-N 431.541 0.654 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1690723985 FTHPXXNUBCCKBY-MSOLQXFVSA-N 441.598 0.930 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1705662321 WBZQVNCWKNDAPV-OAHLLOKOSA-N 440.551 0.602 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1705895026 RFGMKTNOHOGKQQ-INIZCTEOSA-N 443.508 0.858 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@@H]1CCCCO1 1706889501 GCOHIIDCGJPRJH-JYJNAYRXSA-N 426.543 0.966 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722705188 CAODSSCYSSONPB-INIZCTEOSA-N 448.911 0.764 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722725636 PXUSWKAVBKHIFA-IAGOWNOFSA-N 434.518 0.906 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 1740689724 ZLCIQTPGEYQOPP-UHFFFAOYSA-N 434.566 0.094 30 10 ICEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740883291 PGSGJFSWQHOQJD-OAHLLOKOSA-N 428.468 0.824 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C)C1CC1 1740910053 HJVGAOABRZSRKD-QGZVFWFLSA-N 435.554 0.856 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740954475 ADHGCZGDFQWYNJ-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740991847 GNEOWPMFUZDJGF-BZUAXINKSA-N 442.538 0.133 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741124644 NGSRETFPHZYKRC-DCOQFNDQSA-N 426.481 0.636 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1748639333 FUPJVXZUNPDUSN-JKSUJKDBSA-N 447.565 0.626 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748819751 SWYQQPGUHZMKFT-LJQANCHMSA-N 439.545 0.867 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760189585 JTMPYZAFOLWTAU-IAGOWNOFSA-N 445.520 0.913 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1769153085 ZRPJDIUADWZEOD-GOSISDBHSA-N 437.504 0.827 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)[C@@H](C)C2=O)CC1=O 1855052490 RYCGMRHYGYWJFP-QWHCGFSZSA-N 441.456 0.747 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)CC1=O 1855149604 QDGWWPDCTGIAAV-ZBFHGGJFSA-N 425.507 0.573 30 10 ICEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)C1 2247560532 YOMXIHUGMQWADX-UHFFFAOYSA-N 436.509 0.884 30 10 ICEE C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247876936 ZECIJCWCUNHSDO-AWEZNQCLSA-N 436.343 0.686 30 10 ICEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267546615 ZENYDBLYBHAOCV-MNOVXSKESA-N 445.251 0.643 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 508727010 ZIRCKDZIEPDREK-QGZVFWFLSA-N 447.923 0.991 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 512713809 HJINOWBUYYZKKH-LJQANCHMSA-N 448.589 0.842 30 10 ICEE Cc1noc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n1 539455667 VQJKWAPIKBIZCI-KRWDZBQOSA-N 429.550 0.966 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 590927677 DQRHVCXAZRWIPF-UHFFFAOYSA-N 444.532 0.410 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332367 YCCOMGOFPIRWQI-GOSISDBHSA-N 449.554 0.608 30 10 ICEE Cn1ccnc1CN1CCC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 783074612 NIXXIBYJWIAXSV-HNNXBMFYSA-N 444.517 0.156 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCn1nc2ccccn2c1=O 914615362 DFUUFCHJODWWIV-UHFFFAOYSA-N 429.458 0.558 30 10 ICEE COCCn1cc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cn1 1084430022 DUBPQNBKZSXPQB-UHFFFAOYSA-N 429.510 0.689 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@]1(CO)COCCN1 1151818263 ZQWUQJWJVPVGOF-QGZVFWFLSA-N 428.283 0.565 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(=O)nc1O 1167523457 FAWCNRDUWAJASF-LLVKDONJSA-N 446.261 0.752 30 10 ICEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1300741379 VKAPTZYOZHCJNC-UHFFFAOYSA-N 447.590 0.849 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNS(=O)(=O)CC 1300806501 XGELZWCZTKUHNT-CRAIPNDOSA-N 443.595 0.502 30 10 ICEE COC1(OC)CCOC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1301157948 WPTGSYRXWDMDSS-GOSISDBHSA-N 437.518 0.853 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1301566784 CBTBLGRQUCPYNV-UHFFFAOYSA-N 440.570 0.370 30 10 ICEE CO[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS(=O)(=O)C1 1439405486 HQZIWBSDXGHMHT-SCLBCKFNSA-N 425.894 0.884 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CC1 1478363410 DGSYKIMJJONTAK-HXUWFJFHSA-N 443.529 0.974 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507631956 HMFKVQJAKNWFMI-CVEARBPZSA-N 448.549 0.987 30 10 ICEE C#CCSCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1507745633 DICYWTLOGHEUNE-UHFFFAOYSA-N 428.566 0.906 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1508092909 RVXQCTZVGVMDER-UHFFFAOYSA-N 428.541 0.794 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1517430764 CRJQURNOKPOSED-WBVHZDCISA-N 433.557 0.951 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(=O)NC)C1 1540875513 OIFASHUSHMLCTM-SFHVURJKSA-N 442.520 0.673 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1541803070 BWRKMWLOJGFKEC-VKJFTORMSA-N 442.542 0.155 30 10 ICEE CNS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1554500506 BDPNXABWMNVFAC-BBRMVZONSA-N 438.485 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 1561868423 CSDGUIKBMHLGDE-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1589069761 NRGPYCOIUVXRIK-GJZGRUSLSA-N 429.568 0.203 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1589544642 JNFMGZFSDDTQBA-VYDXJSESSA-N 425.555 0.734 30 10 ICEE CO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619503437 MOJNAIQLVQASNS-CVTQAYBASA-N 443.508 0.542 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2ccc(OC)cc2)CC1 1644281582 HHISTSZKHSUJMG-UHFFFAOYSA-N 449.558 0.585 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689990415 NZXJNNWFDKWUBW-RYUDHWBXSA-N 440.469 0.369 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)C(C)(C)C)CC1 1690111608 GDHDQSDJSRUSSC-HZPDHXFCSA-N 426.587 0.705 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690228655 CBQYNUCPQVKXGH-RWMBFGLXSA-N 435.344 0.939 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705564794 CQELIEGXBOEGOH-LSDHHAIUSA-N 448.936 0.953 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCS(C)(=O)=O 1710731141 HVBHPDHRRWAUJW-UHFFFAOYSA-N 433.538 0.843 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1722397202 HMJVCVHSMWADSE-UXHICEINSA-N 425.581 0.966 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722542662 FSNOOKSKPCFUJC-RHSMWYFYSA-N 432.978 0.942 30 10 ICEE COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1730702019 KLAPEAVMYSWNDW-HNNXBMFYSA-N 426.543 0.778 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740615526 GMPZKHUMTSBFNA-UWJYYQICSA-N 449.577 0.956 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1740639906 ZNHNFLJHGJIILP-HSZRJFAPSA-N 432.484 0.899 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1740941768 SBCARBBNEFIEQX-OAHLLOKOSA-N 429.543 0.165 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749650282 QHEGZMIWRPYFJO-HXUWFJFHSA-N 430.513 0.204 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1749651274 RBLFQSGEEQQPPW-CYBMUJFWSA-N 434.522 0.459 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760097580 HHOOFWHPOVMNLO-KGLIPLIRSA-N 430.534 0.680 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760188780 CZRYXWYETWJCRB-GOSISDBHSA-N 442.545 0.417 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760193202 WOEKRSBPBPUVQA-MRXNPFEDSA-N 437.566 0.748 30 10 ICEE CN(Cc1ccccc1)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1767097225 BJHQUZQHSQVVKB-GOSISDBHSA-N 437.504 0.901 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1769841062 FIYWECWHXOYGHY-UHFFFAOYSA-N 434.522 0.803 30 10 ICEE N#Cc1cc(Cl)c2nc(C(=O)NCCN3CCN(S(=O)(=O)C4CC4)CC3)cn2c1 1853047668 VDYKKULNPADABC-UHFFFAOYSA-N 436.925 0.699 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3OC)[C@@H](C)C2=O)CC1=O 1856863296 JXJSDUQVQRFQKZ-LSDHHAIUSA-N 435.502 0.478 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255842812 XTPFEGIUPYGOBG-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE C=CCOC[C@@H](O)Cn1c(NN=Cc2cccc([N+](=O)[O-])c2)nc2c1c(O)nc(=O)n2C 2328608935 AMOOERVNDHPYSK-AWEZNQCLSA-N 443.420 0.753 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2CCS/C2=N/CCc2ccccc2)n(C)c1=O 105037975 IQXAOVRLHQTTEY-XUTLUUPISA-N 426.502 0.608 30 10 ICEE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCCC(=O)ON1C(=O)CCC1=O 301054898 OUSUWQYKZFQMST-NVGCLXPQSA-N 426.495 0.216 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 508824930 CXLXWNXHRMSHAY-CVEARBPZSA-N 441.554 0.571 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 555243785 JWPVUWPBPDSDKV-RDJZCZTQSA-N 435.554 0.915 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 555248531 WTNDOVXBUIPGIN-CABCVRRESA-N 426.543 0.279 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)C1=O 609374002 NAKOKUVQUQENMH-UHFFFAOYSA-N 425.401 0.964 30 10 ICEE CN(C)CCn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 610478297 RVEOURIVEJFHMC-UHFFFAOYSA-N 431.522 0.855 30 10 ICEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CCN2C1=O 611189651 BJCJLFKZCODEQI-KRWDZBQOSA-N 449.471 0.794 30 10 ICEE CCc1c(C(=O)OCC(=O)N(CC#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 754349818 CWHUDHLSJPGBRW-UHFFFAOYSA-N 435.440 0.908 30 10 ICEE COCc1nc([C@@H]2COCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 779700855 SWLIXOLXTWFNDG-OCCSQVGLSA-N 449.489 0.633 30 10 ICEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccccc2)n1N 1084089858 YVHFTRKJZOPVCD-UHFFFAOYSA-N 429.510 0.974 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286389774 QKJDGJFDMZFICB-KRWDZBQOSA-N 429.550 0.848 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1286432059 WNDXZTRCITVRDZ-SFHVURJKSA-N 448.593 0.558 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(CCN(C)CCOC)C3)cc2C1=O 1298848047 UPGICACQABAAKE-INIZCTEOSA-N 428.489 0.378 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H](O)C2)CC1 1300722328 ISJUKAXNGSMHSH-SZMVWBNQSA-N 428.537 0.746 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301566592 AACUJRLQNPTUIY-GASCZTMLSA-N 427.527 0.359 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1359330523 VAHOHBHRXRNXFP-UHFFFAOYSA-N 428.511 0.920 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1360233881 PQYDEEUTEQYFRV-QGZVFWFLSA-N 441.492 0.757 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1479499111 IVDACMXCCRWOPC-CQSZACIVSA-N 449.508 0.695 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507631806 GHUHSINWHKJSPR-HUUCEWRRSA-N 444.579 0.232 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 1507723927 ZLMLXAHEFCCRFF-UHFFFAOYSA-N 435.435 0.142 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1 1507741710 ZAMANUXZJYONKN-UHFFFAOYSA-N 425.580 0.894 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 1507953917 JMKVMYFENUUJCD-IAGOWNOFSA-N 440.570 0.098 30 10 ICEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510067796 XYMGFECONGMSQJ-KGLIPLIRSA-N 445.549 0.665 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1539179790 RQFIJHXARJNLLS-MRXNPFEDSA-N 436.559 0.896 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539222345 VNNGSSLIFGDFQB-CVEARBPZSA-N 444.579 0.234 30 10 ICEE CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555818500 BONPKCGRTGSECN-IKGGRYGDSA-N 443.533 0.522 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC23CCN(C(=O)OC(C)(C)C)CC3)C1=O 1558788617 OTXOKQGPUFGKIV-UHFFFAOYSA-N 436.465 0.549 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)C[C@H]1CS(=O)(=O)C2 1636512382 DHKGVUUMAJOCFI-HNAYVOBHSA-N 449.510 0.768 30 10 ICEE C#CC[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1643533281 RLUISJPQEXUJES-RDJZCZTQSA-N 449.529 0.632 30 10 ICEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C(=O)OC 1656493514 QWZMEAMBPKAWQD-GUDVDZBRSA-N 446.479 0.429 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1689988850 XJPORGDANFNGIS-SFHVURJKSA-N 425.518 0.943 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CC2)C1 1690700861 YZOCKDIMMYCWJX-RHFKOARHSA-N 428.580 0.873 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)NC)CC1 1705645751 DETSKFBYADYLNG-UHFFFAOYSA-N 430.534 0.460 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1705905948 MINGDTYCZUXTHH-UHFFFAOYSA-N 432.554 0.788 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1708197337 FJXBXTCHIMMNAU-TXXBVZAJSA-N 431.522 0.697 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1722397205 HPHCJQMEMHYLJG-UHFFFAOYSA-N 438.488 0.718 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722728352 QIUGMCXLTKWDSA-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@]2(O)CCSC2)cc1 1731182143 HPJJBGQTNJIDSM-YWZLYKJASA-N 428.518 0.908 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](COC)OC)CC1 1740708079 AYBNMGAXCKSYIM-QGZVFWFLSA-N 432.525 0.028 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1748671189 GUCWCRFJEHLLEQ-AAEUAGOBSA-N 425.540 0.277 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCO)C1 1750211212 GFHMVFMGPSHZKO-RHSMWYFYSA-N 430.506 0.216 30 10 ICEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)CC1 1760396544 QGBZJVJLPGOPSQ-UHFFFAOYSA-N 425.555 0.978 30 10 ICEE CC[C@]1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1762480715 QXCZRFSFZIAOJG-HUOLPKJOSA-N 443.508 0.761 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)N(C)CC 1766397816 GPPXIDNIPBLQPE-UHFFFAOYSA-N 429.529 0.533 30 10 ICEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCC(=O)O)cc2)c1 1858651099 FHSQZWWHSWSHJK-UHFFFAOYSA-N 430.442 0.951 30 10 ICEE C#CCO[C@H]1CCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1892230063 UUQPXYBUKDWYNO-SFHVURJKSA-N 449.529 0.030 30 10 ICEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2303223516 ASMYWHVHGIJSJF-UHFFFAOYSA-N 442.347 0.817 30 10 ICEE CCn1c(N2CCN(CCO)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33468040 KWASEIRHBPCLGT-WJDWOHSUSA-N 447.586 0.994 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 522308585 XMFAULXYILTHQI-UHFFFAOYSA-N 428.581 0.828 30 10 ICEE N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 523347451 SLCIWMUTZKMOOK-OAQYLSRUSA-N 439.516 0.537 30 10 ICEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c(C)o1 767956317 RCEVHTHRUSUZFM-UHFFFAOYSA-N 444.557 0.480 30 10 ICEE C#CCN(C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCS(=O)(=O)C1 774040517 RWKOWCNPCULRQO-KRWDZBQOSA-N 425.532 0.576 30 10 ICEE C#CCN(C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774182233 XWFOHVHGULYIKG-GOSISDBHSA-N 433.530 0.718 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 789075484 CPERJEMCFBYMOG-PBWTXFEYSA-N 425.489 0.481 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CCN1C1CC1 796813069 TWCWPOLLNXINPK-HNNXBMFYSA-N 432.506 0.003 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC3)CC1 803415726 LZEDMHBBXOWNAA-LAUBAEHRSA-N 436.516 0.555 30 10 ICEE C#CC[C@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)C1 1131460833 VLGICTQSDRQYSY-SFHVURJKSA-N 449.511 0.926 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)s1 1137886127 JXCCKCSXJVMBSF-CQSZACIVSA-N 429.564 0.851 30 10 ICEE Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 1248480443 KRLGSNZZXZVDBG-OAHLLOKOSA-N 433.563 0.900 30 10 ICEE C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1 1278549342 SEUKKFZIASLLIV-UHFFFAOYSA-N 428.514 0.953 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC2)c1 1286309993 VRYXPKYWPVNTHL-AWEZNQCLSA-N 446.533 0.469 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300336579 KCNQHJNTLLPLCH-INIZCTEOSA-N 439.524 0.850 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300621965 SQKVMIQCALRUTR-YESZJQIVSA-N 434.566 0.893 30 10 ICEE CN1CCN(C(=O)CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1339079773 CGKFLZDZARZWQJ-KRWDZBQOSA-N 426.477 0.044 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1358889465 BYLLRPQKGJKRJH-OLZOCXBDSA-N 443.480 0.709 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCn2ccnn2)c1 1358902437 OKVYKMQCQMOWSZ-SFHVURJKSA-N 447.503 0.967 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358961973 HXDLZVASMNFWHY-QZTJIDSGSA-N 448.593 0.730 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 1459887218 SKZHCYQEQZXUDA-UHFFFAOYSA-N 427.490 0.106 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507869642 WYFJDASSMAZEDM-CXAGYDPISA-N 444.945 0.080 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1508131313 LMDIEVVMZZVVKL-RHSMWYFYSA-N 449.599 0.494 30 10 ICEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1512579866 GCFWGPYIBWDMHW-QRWLVFNGSA-N 446.533 0.750 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540897780 SEHPGMLCKWMOPF-KRWDZBQOSA-N 438.598 0.745 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540902209 CQCLEADGCHVUEY-QGZVFWFLSA-N 437.566 0.974 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1541002643 GXIIXMAKHSXNFB-MRXNPFEDSA-N 438.536 0.681 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1555986292 HSFPYGIPTHXQCH-NRFANRHFSA-N 425.468 0.936 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)CC1 1564667172 OZOSAZZKDIXQCR-CABCVRRESA-N 428.461 0.939 30 10 ICEE COc1nn(C)c2nc(C)c(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c(C)c12 1585660202 HALHWMRTLUCGQZ-VBKZILBWSA-N 431.518 0.923 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O 1588128707 PRZILHZGMNOTBT-UHFFFAOYSA-N 439.501 0.606 30 10 ICEE COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1618356395 BSTZBNCUSSQKFF-LBPRGKRZSA-N 431.264 0.498 30 10 ICEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1620532275 GMXRNCGAUNMDGD-OYHNWAKOSA-N 430.505 0.966 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1638249413 QPUMWXAPMAPBTG-JKSUJKDBSA-N 442.335 0.165 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 1676963279 NZEQCKKERXMQOV-IBGZPJMESA-N 436.534 0.950 30 10 ICEE CCNC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1695944272 SHOVGNPHZLUPFI-HNENSFHCSA-N 442.524 0.609 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1705570916 VLJFMNUBWXAAEE-HNNXBMFYSA-N 431.547 0.734 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1705901831 XQZZQHUSAWFJLY-MRXNPFEDSA-N 442.499 0.782 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1705902499 GCKHJDKHZKVJHD-MRXNPFEDSA-N 447.565 0.600 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)O 1708152692 GYJXEPZEFCNLCR-HNNXBMFYSA-N 439.524 0.662 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1712290864 MFLBFEKCPGLNIW-STGLLQLASA-N 427.465 0.651 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC 1722397089 MWXJUGXPMSEJMH-XLIONFOSSA-N 437.566 0.625 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1740693077 SQLDFIFBYSNCFY-YADHBBJMSA-N 432.569 0.141 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741291605 HZBIHZWWBLJNHB-JXLCAQNNSA-N 445.524 0.517 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748846470 HDWDVJZTZVNREP-LQWHRVPQSA-N 432.546 0.981 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749682924 CYARMRDBNGOFDC-RCJHGTSTSA-N 432.525 0.552 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1749735016 PCPUHLGOHXZVOS-OAHLLOKOSA-N 449.599 0.447 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750206601 JJVUCDZLBJXRBR-MRXNPFEDSA-N 431.522 0.767 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)n1 1751853373 FXECVJGJCRAWSV-GOSISDBHSA-N 428.541 0.979 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760273765 AZYXXUBECSGDCC-CYBMUJFWSA-N 449.624 0.268 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1760505411 SWIJXVHTQDIDEL-DLBZAZTESA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760517516 OQIYOZYULIBLEG-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1760522194 NNOGLDABVHNTBG-XHSDSOJGSA-N 438.554 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1760547359 JEEZUGOBLLSESE-UHFFFAOYSA-N 438.554 0.220 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766387209 MKHVMIVQSUQJCL-QGZVFWFLSA-N 441.540 0.848 30 10 ICEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCOCC3)OCC(=O)N2C(C)C)cc1 1889253777 BNJBPFATGVRJLO-VXKWHMMOSA-N 429.517 0.824 30 10 ICEE COc1cc(C=C2Oc3cc(O)ccc3C2=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 2297509554 JSHCIPDYXUVMEC-WHCFWRGISA-N 446.408 0.196 30 10 ICEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(OC)c1OC 29386522 CWMGFRLSYYJYSM-UHFFFAOYSA-N 439.534 0.767 30 10 ICEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(S(N)(=O)=O)ccc21 44360573 HTENIFLZGCPEGW-DOXHGZAWSA-N 444.560 0.388 30 10 ICEE Cn1ccnc(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)c1=O 443465159 NJOMFJFJMQAKCH-UHFFFAOYSA-N 438.307 0.925 30 10 ICEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467046627 PUAOWVPZOKZQEP-IBGZPJMESA-N 426.477 0.450 30 10 ICEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O 589160167 FMUMDFLRPGLEBV-UHFFFAOYSA-N 445.566 0.640 30 10 ICEE CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 609642688 SXMUJWTVHSQWIW-MRXNPFEDSA-N 443.533 0.743 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cn1 772313639 KWTNIROBTZHLCC-UHFFFAOYSA-N 435.465 0.087 30 10 ICEE C#CCN(C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H]1CCS(=O)(=O)C1 776054809 PEYABZCSTNTSET-ZCNNSNEGSA-N 444.557 0.417 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777450691 WVGYYUBMLWMUQD-AWEZNQCLSA-N 428.511 0.785 30 10 ICEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 813980606 IZHGGDKTRNWDTH-NVXWUHKLSA-N 430.490 0.880 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1300631910 XZYXCCXGVBIIGB-SJORKVTESA-N 447.565 0.530 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC[C@H]2CCCN(CC#N)C2)C1 1306652962 WNZHWCZSRBAFGT-CVEARBPZSA-N 428.555 0.762 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@H]1C(N)=O 1470238617 FVLDCOYEGMTTGM-IRXDYDNUSA-N 449.577 0.740 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 1475620213 DERWHQJHCMELPT-UHFFFAOYSA-N 426.347 0.908 30 10 ICEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1499949250 FRUJWSBQTURJRX-HTAPYJJXSA-N 437.504 0.515 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507718086 AVVMXRYWYQCGJH-YADHBBJMSA-N 430.553 0.552 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507852712 CKOVXGBYHJQLNT-LLVKDONJSA-N 445.933 0.161 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1516592787 SSEBEMWPCCVNEJ-OAQYLSRUSA-N 426.525 0.474 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 1521310175 RMUYEQMAVYDKAO-HXUWFJFHSA-N 428.445 0.768 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1540876555 VDUGVIKLNKQUPJ-SJLPKXTDSA-N 431.585 0.867 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)CC1 1588857800 SOPWNJWRBHQIBL-UHFFFAOYSA-N 441.561 0.655 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1595594295 MVPZNKJHXYPXHJ-QGZVFWFLSA-N 442.520 0.689 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1595755290 VCMUUNZNJWTMTL-UHFFFAOYSA-N 446.524 0.502 30 10 ICEE CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1614963507 DLLJCPGZZFDQEG-LSDHHAIUSA-N 441.558 0.123 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC(O)(CC#N)C2)C1 1625477670 HTAFMXGNLNXHLJ-HXUWFJFHSA-N 425.482 0.821 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1644576071 AJSFHQMUYPEZRU-VXPUYCOJSA-N 447.517 0.082 30 10 ICEE C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)C1CCOCC1 1645985537 CPACLIPFQKBNFQ-OALUTQOASA-N 435.546 0.760 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1673444009 WZYQJKGSYFPBIT-DEYYWGMASA-N 428.511 0.202 30 10 ICEE C#CCC1(O)CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1677170467 UZLLSCYMFNQXAP-SFHVURJKSA-N 428.537 0.842 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1 1689950765 AIMQIJUFJDGHON-HXUWFJFHSA-N 432.550 0.331 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 1690722669 RFZUVGOGWRPISV-UHFFFAOYSA-N 427.552 0.887 30 10 ICEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1696443142 WYACZQLLSATAHW-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705647738 JESGZWSNCIPXET-CEXWTWQISA-N 431.537 0.678 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705900176 SGIBOHBXDURLJD-SFHVURJKSA-N 426.569 0.802 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705935922 GPZPJYNWENHOOA-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 1722517806 NWWORTHQQKVEHU-BBWFWOEESA-N 443.570 0.553 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1727658548 HQFZTPGPPCGFLM-GOSISDBHSA-N 437.504 0.970 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC=CCO2)C1 1731012103 BVSTWJNYVVQDHT-SJORKVTESA-N 436.538 0.696 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1740548953 CMSFGMXNJPOVSI-IRXDYDNUSA-N 438.598 0.943 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1741943594 HEDQMIXBFAQXHN-ZAHIEGGZSA-N 438.554 0.558 30 10 ICEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1747540659 HDZQOGPRWKCLHI-UHFFFAOYSA-N 431.522 0.423 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1748847962 ZMGYAJCVXDGBCX-OALUTQOASA-N 433.578 0.754 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1760249696 QQVWKIBRSCEBIG-GOSISDBHSA-N 449.533 0.768 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760328217 SCMIGAOPCASHSX-QFBILLFUSA-N 446.552 0.723 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760521368 QQUKQSYZXBTGKK-UKRRQHHQSA-N 443.512 0.106 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1760554460 DVAHKHUJFAQPJJ-HOTGVXAUSA-N 446.595 0.644 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNc1ccccn1 1761501646 IZZJDFSMXQSODW-CABCVRRESA-N 434.526 0.514 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)CCO1 1771535996 GBKAGHPLRVNMFQ-SFHVURJKSA-N 437.504 0.949 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255826064 JUSNFOWFCVCIHW-UHFFFAOYSA-N 436.318 0.811 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCNC(=O)OC(C)(C)C)n1 2255839292 TZLCDTXWOVGKMG-UHFFFAOYSA-N 439.322 0.385 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 475252653 DMQKLKXREMEUIS-OAQYLSRUSA-N 443.479 0.962 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 508937872 DSKJKRFZQQTWHB-MRXNPFEDSA-N 433.538 0.519 30 10 ICEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137511 GFVWSJAJTXNVOB-QGZVFWFLSA-N 431.562 0.921 30 10 ICEE CN(CCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)c1ccc(F)cc1 731862316 CPHIONWHJXLEFF-HNENSFHCSA-N 438.481 0.869 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CC1 732651045 RPUWJMGOSXUIAN-IBGZPJMESA-N 445.545 0.352 30 10 ICEE N#CC1(c2ccc(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 777172018 GWOKDRVVNXDYDG-GOSISDBHSA-N 431.514 0.730 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814269059 NFAHRFDHXMGSBM-HNNXBMFYSA-N 438.527 0.515 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](C(=O)N2CCOCC2)C1 817314532 AFTMEYRLDIJPPO-INIZCTEOSA-N 448.545 0.603 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 1152967779 PJFVPFASZZWSJY-BRWVUGGUSA-N 440.566 0.634 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 1223979952 KARCNAJMKIEHFL-UHFFFAOYSA-N 432.449 0.591 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1301458602 YKKOZUSWKDETHD-MRXNPFEDSA-N 426.543 0.244 30 10 ICEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](CC#N)C(F)(F)F 1303849834 WFCZUDQYIYPLMG-QWHCGFSZSA-N 441.453 0.729 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1314558099 IXUUSEGCIPGLKU-IAGOWNOFSA-N 443.533 0.471 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnnn1CC1CC1)[C@H]1CCS(=O)(=O)C1 1358956303 DFQZLKMVFNSFRX-ZBFHGGJFSA-N 432.554 0.863 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1359135521 GLIFHHPKZIMMKO-UHFFFAOYSA-N 440.570 0.511 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359287469 FVWDYMGSZFSYCC-CGTJXYLNSA-N 436.582 0.355 30 10 ICEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nn1 1474407050 KISSOWKWSULDNR-UHFFFAOYSA-N 440.551 0.008 30 10 ICEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1502128854 JVHRNSCRTLRDEY-KUOYXJDGSA-N 443.508 0.761 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCOC2)C1 1505139068 DVBJLLIUIJAEPY-JKIFEVAISA-N 428.490 0.089 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507629782 PZJCNYVNVHUVOQ-OXQOHEQNSA-N 433.534 0.716 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630885 JHJGITMQFROLEM-IAGOWNOFSA-N 446.533 0.557 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634237 XYUKOKYZPJJUQI-IAGOWNOFSA-N 436.582 0.586 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC=C 1507765949 WKSWIRUHIVXKLN-WMLDXEAASA-N 429.568 0.481 30 10 ICEE CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1=O 1515780187 DQTVXTWRYYCHQC-AWEZNQCLSA-N 433.538 0.858 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539221850 RIOSNQBRDOLGPK-JKSUJKDBSA-N 433.538 0.468 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1540904436 NCVKKODCCPRQCP-GOSISDBHSA-N 432.550 0.386 30 10 ICEE C#C[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1556794492 JKPBDHMVAIVVOQ-JSGCOSHPSA-N 435.365 0.959 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1588233700 OSOJEBYIZRPYAQ-KURKYZTESA-N 435.550 0.499 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)CC1 1588923529 CMUIKXSLJAPQRN-KSFYIVLOSA-N 440.504 0.696 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1610900760 BFDKOBNXXIEHHF-BBTUJRGHSA-N 434.541 0.768 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1619989825 JYUSRSGQZJMUEF-PBHICJAKSA-N 430.506 0.480 30 10 ICEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1624069819 OYWYYCYZAXFXNB-AWEZNQCLSA-N 433.465 0.891 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)s1 1624757473 YMIXHCZYQCGNML-AWEZNQCLSA-N 440.591 0.566 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 1628146906 RLGNMQHGDQHXLD-UHFFFAOYSA-N 426.304 0.402 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCN(O)C1=O 1628547596 HKGCLQBXSUZKDR-UONOGXRCSA-N 431.898 0.370 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1643372590 SESIPRMYMNBPHZ-GJZGRUSLSA-N 432.518 0.193 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(I)cc2)CC1 1644285541 RAEAVPKWSNAIFU-UHFFFAOYSA-N 447.298 0.446 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)CC1 1644633419 XLEZHAFNPTVWHU-HXUWFJFHSA-N 439.626 0.959 30 10 ICEE COc1ccc(Cn2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cn2)cc1OC 1652521621 UAWRUPRDPBYSAN-JXFKEZNVSA-N 430.486 0.959 30 10 ICEE C=CCn1cc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nn1 1673448887 RQQBLBMLTCIMME-UHFFFAOYSA-N 434.478 0.108 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689977849 FFVQSBWVQVOJSO-MRXNPFEDSA-N 437.566 0.956 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)C(C)(C)C)CC1 1690111607 GDHDQSDJSRUSSC-HOTGVXAUSA-N 426.587 0.705 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1690661761 GLBPWLLGKUPUPN-UHFFFAOYSA-N 436.314 0.675 30 10 ICEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N1CCOCC1 1691870325 AAGVJLDFKNZXCV-MRXNPFEDSA-N 439.524 0.637 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1705583507 ZRRZUEXYKLWCQH-ROUUACIJSA-N 435.550 0.643 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705638186 BLWABSOYYFCNAN-CEXWTWQISA-N 429.569 0.484 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCNS(C)(=O)=O)CC1 1705646358 XEOLBOBPSIHSMQ-UHFFFAOYSA-N 444.561 0.769 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC(O)CC2)CC1 1705648342 ROKRZSBFCYUGMU-IBGZPJMESA-N 444.580 0.595 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705667011 HTDYUDLIQURHPW-ULQDDVLXSA-N 434.566 0.925 30 10 ICEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710615638 JXHCVPCNIRTZQZ-MMYRVIJDSA-N 443.508 0.761 30 10 ICEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710820992 UWIDNQYBQLIHNW-UHFFFAOYSA-N 429.529 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)CC1 1740704738 SWZSBTICXNOUDK-UHFFFAOYSA-N 433.538 0.178 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC)C1 1740738208 DVELJZGPLGDILA-VXGBXAGGSA-N 438.348 0.649 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740879420 LBIDAMKGOBRXMC-UHFFFAOYSA-N 443.552 0.638 30 10 ICEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740886823 UJASQXAGFVJFSZ-QGZVFWFLSA-N 425.493 0.004 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1740899481 CDZQGLGNCCRQQG-OAHLLOKOSA-N 426.499 0.416 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1741133399 QKRRITRBYDZMNL-CHWSQXEVSA-N 436.485 0.836 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1748791472 SZJFJOANXRMAHB-OGNFBWPZSA-N 437.566 0.622 30 10 ICEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749049722 PMJGTQZEGVRJNG-GOSISDBHSA-N 448.593 0.477 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749677954 QCZPJZJXWZKSET-JOCHJYFZSA-N 442.495 0.940 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)C1 1749713398 SQBUPERCVUYXBS-WBVHZDCISA-N 435.554 0.723 30 10 ICEE COCCN1C[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1749864614 CMPSNSMMYMCXJY-DWRORGKVSA-N 448.524 0.226 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCOCC1 1750419540 PYKVCRUXCYCLKD-VLGSPTGOSA-N 429.481 0.267 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760281647 VTDRMGCLIBIQGT-BBWFWOEESA-N 448.593 0.963 30 10 ICEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1760450802 SMCPWBCTFJOCSY-UHFFFAOYSA-N 426.525 0.981 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760523188 OXKQUDGYQLMNMK-QGZVFWFLSA-N 425.497 0.775 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 1766408401 AGTSARZDCXSZNX-LSDHHAIUSA-N 425.497 0.470 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)n1C 2315521784 DTWAZJNHZHRADR-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE O=C(NCCCN1CCOCC1)c1cccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 20354717 BKFMGRYXJZKXIB-IRXDYDNUSA-N 438.575 0.628 30 10 ICEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@H](C)n3cnc(C#N)n3)cc2)CC1 409648594 LBAYYWXYNYZVHT-KRWDZBQOSA-N 439.520 0.613 30 10 ICEE COC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 468879748 HPKDRHJORMTSNX-UHFFFAOYSA-N 443.485 0.685 30 10 ICEE COCc1nc([C@@H]2COCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 488260740 CMDDZVIAFQHYQV-SJORKVTESA-N 440.460 0.972 30 10 ICEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](N(C)S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509206512 ZAGOXLXEGQKOLL-ZACQAIPSSA-N 448.615 0.730 30 10 ICEE Cc1ccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)NCC#N 558918906 PQOYXQMLYJYXGX-UHFFFAOYSA-N 440.547 0.437 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286629855 SUTNWRNGGYKKJI-MRXNPFEDSA-N 426.949 0.809 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1300488740 VOSQTYFMPUTFSY-INIZCTEOSA-N 434.591 0.949 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300732305 AJAHXVPYLPVQFD-RVKKMQEKSA-N 443.595 0.639 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1359330727 AYAFHHKMDOZWNM-UHFFFAOYSA-N 448.549 0.544 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2c(S)nnc2-c2cccc(C)c2)CC1 1455115884 UIQRWQNJHWRGIQ-UHFFFAOYSA-N 448.574 0.544 30 10 ICEE Cc1ccc(C[C@@H](CO)CNC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Br 1468137440 AQXPQQPMNGXVFB-CYBMUJFWSA-N 435.278 0.859 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C 1494135601 FYFSOWIYUFDKKT-CABCVRRESA-N 425.497 0.247 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C 1494135602 FYFSOWIYUFDKKT-GJZGRUSLSA-N 425.497 0.247 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N3CCOCC3)CC2)CC1 1507741010 IUYKMRLVMPAZBN-UHFFFAOYSA-N 430.553 0.645 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507752337 YQPBFJSVXSTWAH-KRWDZBQOSA-N 441.561 0.969 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507953429 FQUVYTGTGCMFLO-QGZVFWFLSA-N 438.598 0.793 30 10 ICEE CCOCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1516688321 VLOZOVFAIGKASY-CVEARBPZSA-N 442.542 0.156 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nnn(-c3ccn(C)n3)c2C)c1 1535259510 PJWFVMOBYKZQFY-UHFFFAOYSA-N 433.472 0.796 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1540074302 XMZSEIYWXHIKPQ-INIZCTEOSA-N 449.537 0.635 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1540862033 OWJISLDQLVBTDW-UHFFFAOYSA-N 441.540 0.615 30 10 ICEE CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O 1547694617 ZRIREDMVVSNMIU-AWEZNQCLSA-N 432.506 0.752 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOc2cc(OC)cc(OC)c2)CC1 1564323826 MGJIEUFLJFCAFG-UHFFFAOYSA-N 440.522 0.268 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)s1 1568813242 MWIJRXHILMTZDX-CQSZACIVSA-N 438.575 0.926 30 10 ICEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 1606788481 NSAWELZXFQVAAQ-YJBOKZPZSA-N 425.468 0.923 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1609509120 MRYMAJRZRZIPCY-ZFDMEJTGSA-N 445.524 0.946 30 10 ICEE C=C(C(=O)OC)[C@H]1[C@H](O)[C@@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1OC(=O)/C(C)=C/COC(C)=O 1615811240 WTHXAFPDZHTOOX-WEMVFRNQSA-N 438.473 0.864 30 10 ICEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1617969287 HEIIBUYKOPOBRT-FQEVSTJZSA-N 441.517 0.736 30 10 ICEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1619284360 HNADKWYFYOWAOV-NVXWUHKLSA-N 447.517 0.974 30 10 ICEE CS(=O)(=O)NCC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1627287445 NXRWDHCRCSVPRE-KRWDZBQOSA-N 447.517 0.551 30 10 ICEE N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1Br 1635447842 HXZDXSLGWVQGBC-GFCCVEGCSA-N 431.312 0.874 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(Br)ccc2=O)c1 1641606764 QQWYZCDGHQQVNP-UHFFFAOYSA-N 438.303 0.952 30 10 ICEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCCc2c(F)cccc2F)c1=O 1652136015 FXVBIXDIEBTYDY-UHFFFAOYSA-N 448.426 0.860 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 1662588788 VUYLDBQRTSMRJU-UHFFFAOYSA-N 444.340 0.655 30 10 ICEE C=CCOCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1682998380 CQTDAXKSNUZRHY-UHFFFAOYSA-N 439.538 0.137 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690671231 RFLBAVZGCVVFFT-LSDHHAIUSA-N 426.543 0.340 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705516047 SSMVIQDCSYVIOC-ROUUACIJSA-N 427.553 0.776 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705908767 HATZVJPEXCZRKM-DKICVRJWSA-N 434.497 0.335 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1706063389 BPGRUQAIMNCLKR-KRWDZBQOSA-N 425.493 0.957 30 10 ICEE CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1711411091 DFOANLRQANSNCY-ZDUSSCGKSA-N 433.494 0.155 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CCO1 1712884039 FJHIZOPTHNYUKN-RDJZCZTQSA-N 444.517 0.938 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722362096 SBNCDYWOEJTDJM-MAUKXSAKSA-N 436.563 0.173 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCNS(C)(=O)=O 1726645351 OFZWIVYSJVUDRP-AWEZNQCLSA-N 445.553 0.472 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1740549656 NNMNXTYHETWDPY-KYMGHPBBSA-N 430.553 0.957 30 10 ICEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740830014 RYHGMIFBPRFTHV-BXWFABGCSA-N 426.539 0.708 30 10 ICEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749722618 LHIFPPVDVBSKDD-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749745346 ZGHWNGVAJJEYFG-QWHCGFSZSA-N 437.613 0.431 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1771222635 KQFTULGUDXZPAT-HUUCEWRRSA-N 429.543 0.944 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H]2COCCO2)cc1 1771534175 PZBYZJYIDBTQFW-GOSISDBHSA-N 447.517 0.769 30 10 ICEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 1852739654 ULBSATKROMBVDE-UHFFFAOYSA-N 432.912 0.921 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1852919121 GQDHJFTWPMNBJP-UHFFFAOYSA-N 436.534 0.917 30 10 ICEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513685 SVBMKMDRBKEGIY-QFBILLFUSA-N 434.452 0.755 30 10 ICEE Cn1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255648298 BCTPGLVCFRQSJH-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE CC1(C)OB(c2cccc(N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)n2)OC1(C)C 2266741416 AIIDKPNKVFJTNR-RYUDHWBXSA-N 442.247 0.740 30 10 ICEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267573240 GSPOEIZVLXTWOF-CYBMUJFWSA-N 448.329 0.876 30 10 ICEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(=O)O 2284416075 TZYFXQHJVHKYQM-OIBJUYFYSA-N 425.721 0.813 30 10 ICEE CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471168875 IZIRBSJFJDGTDD-KRWDZBQOSA-N 433.534 0.974 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)N1CCS(=O)CC1 482155392 ZABUGERZZLMLNF-CQSZACIVSA-N 426.564 0.184 30 10 ICEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 492709515 YMTOUXYUIQWGFK-GOSISDBHSA-N 435.550 0.516 30 10 ICEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)n1cnc(C#N)n1 537312902 XSHPIRJNAPLHRK-CYBMUJFWSA-N 432.462 0.015 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 542175027 XBHKSCUILFSKPY-RHSMWYFYSA-N 444.517 0.266 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 551475208 VVPQVORSTSCVFZ-MRXNPFEDSA-N 437.543 0.606 30 10 ICEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 743201184 HVRGMLXPCGKTMQ-UHFFFAOYSA-N 426.470 0.564 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(Cc3ccccc3)c2=O)cn1 772275578 JDWLKRFUBIVMGR-UHFFFAOYSA-N 449.536 0.911 30 10 ICEE C#CCN(C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCS(=O)(=O)C1 774212284 ZYYRVZSSMHGTBI-PMACEKPBSA-N 446.573 0.716 30 10 ICEE COC(=O)CCN1CCC(=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 788715900 VDBZOKZEKOMCEB-UHFFFAOYSA-N 438.554 0.445 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCCS2(=O)=O)CC1 1286485894 BTIIWUHKBUSPSZ-MRXNPFEDSA-N 436.582 0.793 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1286599941 FLJPXVUCXDOXQC-QAPCUYQASA-N 429.543 0.477 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1286608488 RSTVYDJJNPEDEH-INIZCTEOSA-N 440.570 0.624 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)C1 1286818841 QBDQCDVBWOWCSZ-UHFFFAOYSA-N 441.517 0.668 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@@H](C)CC 1300538010 MTAAGRPEHOIMPW-KSZLIROESA-N 437.566 0.745 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1300663475 CXAFEDCVHPNCAB-GOSISDBHSA-N 439.520 0.595 30 10 ICEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300766845 LYDPQFPFIFPTOB-HNNXBMFYSA-N 430.559 0.444 30 10 ICEE CNC(=O)NC[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1300951327 RGGADYLOAHPSCE-OAHLLOKOSA-N 436.310 0.913 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N(C)OCC(F)(F)F)s1 1301101723 MIQUJHJUAMIVQT-UHFFFAOYSA-N 429.442 0.823 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301257858 FHHBQZGZZOROIX-WBVHZDCISA-N 425.555 0.830 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301475478 SFCHFKSSAXSBFM-LBPRGKRZSA-N 445.446 0.223 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960785 LSRUKGDGUZQBQC-IAGOWNOFSA-N 429.550 0.846 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nc3ccc(Br)cn23)CC1 1455115334 OFJYXGBCJMOSKY-UHFFFAOYSA-N 440.323 0.631 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1503726799 KKAMGRBAFYNGDM-HXUWFJFHSA-N 445.549 0.718 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)CC1 1507719873 FYXXZZQVDNMPMH-QGZVFWFLSA-N 442.545 0.382 30 10 ICEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1508231668 HQIMDDUDYAACLM-UHFFFAOYSA-N 435.492 0.964 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)C1 1508676232 DJZVAMHFUBZQDD-KQDGPHEJSA-N 448.524 0.929 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1513177083 ABTVTQYZYNQIQK-PMUMKWKESA-N 426.518 0.927 30 10 ICEE CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1515106495 MQUZHZKSAGJEBO-MRXNPFEDSA-N 437.508 0.349 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1CCOC1 1517067692 RUDKQKCCANQRCO-UZLBHIALSA-N 447.517 0.503 30 10 ICEE COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(C#N)c(Br)c1 1539348909 FYLCZNUVFGHUAV-CYBMUJFWSA-N 431.264 0.498 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cc[nH]n2)CC1 1539467602 WXTSOTCGIKQCEX-UHFFFAOYSA-N 426.525 0.695 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)SC)CC1 1588929986 KMHJPWVWZICXOS-ZBFHGGJFSA-N 439.607 0.898 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1588975761 LPXPIEPDIGSXCF-AWEZNQCLSA-N 433.538 0.255 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1595602070 DVSMVBXPNDXBIN-IIBYNOLFSA-N 434.541 0.727 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1617688618 SLANEJPOSFSRMT-HOTGVXAUSA-N 431.555 0.898 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1628050936 KKMWPCBBBBJVCW-ZDUSSCGKSA-N 427.893 0.380 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1638647757 FTKBTSCHHSDBEI-SNPRPXQTSA-N 427.548 0.833 30 10 ICEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OC 1655132553 WSKCKPAYCMUHDI-LLVKDONJSA-N 439.259 0.710 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)N(C)C)CC1 1705640683 ASPOFXVCVJHRQU-UHFFFAOYSA-N 446.577 0.524 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@@H]2CCOC2)cn1 1722275859 GPGHSXUUJUYTGN-ARFHVFGLSA-N 435.554 0.747 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722359415 SPKCIGLLPCONTA-INIZCTEOSA-N 437.566 0.813 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365286 DMNILUXQPPXFBS-ROUUACIJSA-N 449.577 0.811 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC(OCC)C2)CC1 1722447085 DIZQLRWRLOCYSG-LYGNXSNRSA-N 431.537 0.678 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1726638896 HVAYCFHGXNCBSQ-QAPCUYQASA-N 426.477 0.811 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCOCC2)CC1 1740700464 AKRJYFLPIOJSRG-UHFFFAOYSA-N 445.568 0.104 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740703864 CIHIEJAQICVNNR-UHFFFAOYSA-N 444.499 0.848 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1740710158 VTKDJMPWFIQMIA-CYBMUJFWSA-N 436.563 0.918 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1740952269 YMZRKFMXCJTPDX-UHFFFAOYSA-N 426.481 0.286 30 10 ICEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749351846 AWDYYCMWPBCMSY-UHFFFAOYSA-N 445.568 0.946 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1749953856 LXGRDAXJHNYTCN-YOEHRIQHSA-N 445.517 0.384 30 10 ICEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760358572 WRKLINRCJCDARO-KRWDZBQOSA-N 446.552 0.692 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1761502908 UGESUPYFSPWJOD-KKUMJFAQSA-N 440.526 0.160 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)n1 2255633738 GSIZKHXGXMZHTI-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE Cn1c(COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)cc(=O)n(C)c1=O 11538449 MSJVWWPMSQBIAL-UHFFFAOYSA-N 430.364 0.498 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]1C2 198633958 KTTKGQINVKPHLY-WPINSWFRSA-N 426.425 0.456 30 10 ICEE in-vitro COc1ccc([N+](=O)[O-])cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252635945 XCUMDFJYLQYYGB-UHFFFAOYSA-N 444.452 0.908 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 428047754 ZQAYPYICVXITDY-QGZVFWFLSA-N 441.488 0.859 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 438002870 MIIUVLHMMYORRV-UHFFFAOYSA-N 441.529 0.076 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 492321655 SMTKOJPLOYGZCM-OPAMFIHVSA-N 433.553 0.570 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)nc4)CC3)C2=O)n(C)n1 506531040 FBFQOYSKYXZPKQ-GOSISDBHSA-N 443.533 0.497 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC 537393683 FNSBPUGQBOGTIT-UHFFFAOYSA-N 430.530 0.688 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3c3c(C)nn(C)c3C)CC2)o1 537853133 VQRUTSHJHZDHOO-SFHVURJKSA-N 427.509 0.927 30 10 ICEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 749619984 GQEHVEBHPQDZQX-INIZCTEOSA-N 443.510 0.896 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 764779528 QWPOVJLYDUWXKI-KRWDZBQOSA-N 425.532 0.558 30 10 ICEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1)[C@H]1CCS(=O)(=O)C1 776063047 NLPFLKMNDXPSMC-ZDUSSCGKSA-N 428.536 0.813 30 10 ICEE O=C(N[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOC1)OCc1ccccc1 780940983 SNZNBABLYOWNGM-RURFIKTLSA-N 428.445 0.715 30 10 ICEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(F)c1 790873510 ABOKWRBJJZSSQY-UHFFFAOYSA-N 438.506 0.997 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCSCC2)CC1 1152973549 LMGWFUWFQQUKRJ-UHFFFAOYSA-N 431.580 0.453 30 10 ICEE C#CCN(C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC)[C@H]1CCS(=O)(=O)C1 1205410678 GKJZSQBTIMUADE-AWEZNQCLSA-N 429.520 0.399 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC 1286298229 HHZQBKQVWYMDGA-OAHLLOKOSA-N 432.554 0.459 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)N1CCOCC1 1293112944 AJAFVWVUEOZBAR-IAGOWNOFSA-N 425.541 0.938 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300485393 VWQNUFVSXLFGCD-GJZGRUSLSA-N 443.595 0.705 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300490647 ANLPFXHOGDWABN-HOTGVXAUSA-N 435.550 0.551 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300991546 UMMQTFMAMAIMAE-ZWKOTPCHSA-N 441.598 0.930 30 10 ICEE C[C@H](CC(=O)NCC1(S(=O)(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1303699079 PUFJZACTCJMWCA-GFCCVEGCSA-N 428.536 0.044 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1316102001 QNKYIGUQJCKVKT-HOTGVXAUSA-N 427.527 0.352 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1316209561 KPYRTLMZVZTRSP-ROUUACIJSA-N 435.573 0.757 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1358979285 ILXJACFXVGQEAB-SFHVURJKSA-N 449.577 0.891 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1358979772 XKSRRYSEOWDEJK-KRWDZBQOSA-N 440.508 0.951 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359294627 ZWCXUGFDBQQUMZ-HNNXBMFYSA-N 443.895 0.048 30 10 ICEE CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1444603322 HXKOJHFUBUGUKM-AWEZNQCLSA-N 432.864 0.798 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1460367049 YRGAEYZLEFULLG-UHFFFAOYSA-N 448.570 0.984 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507623374 ROBLEOOWFYECDT-HNNXBMFYSA-N 431.584 0.356 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507638949 HZMDAKUZUVVHGA-JKSUJKDBSA-N 437.591 0.780 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 1513922432 ATRJORZIOZAZAO-HNNXBMFYSA-N 439.524 0.499 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539216521 TYEMHCYQCLRMFX-QGZVFWFLSA-N 428.518 0.493 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1539317637 DJGFTYOAHWKVJS-GCJKJVERSA-N 442.589 0.900 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCO[C@H]2CCOC2)cc1 1555990568 IWGBHHZCAXGFNR-SFHVURJKSA-N 426.477 0.861 30 10 ICEE CNC(=O)NC[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1558055932 IAZMFFYGJCKGJW-KXSVDRQTSA-N 435.525 0.930 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1588054701 PNNMWSGQCXQPAK-IAGOWNOFSA-N 433.538 0.828 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1588233090 ATLXTUXHGUWZBF-RTBURBONSA-N 448.593 0.558 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1595496594 AVLZINFBIMSPEO-CQSZACIVSA-N 446.533 0.318 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1617619094 DYWMUPUKVWYCES-NRFANRHFSA-N 426.477 0.813 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)c1 1617784690 WSIRRDONZFOZLY-UHFFFAOYSA-N 435.502 0.758 30 10 ICEE C#CC1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)CC1 1638866352 VQZCDZINJDYMAG-UHFFFAOYSA-N 433.509 0.573 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1653073102 SFOOXGRNODTXNS-IINYFYTJSA-N 448.320 0.107 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CCS2 1676614188 LTBYPGCDMYAILU-AGPLRWBTSA-N 433.490 0.604 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689982171 JADFTGGCCOPZRO-JXFKEZNVSA-N 438.550 0.470 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689991700 BETJXPYDRILRQL-ZDUSSCGKSA-N 435.472 0.782 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)CC1 1690122590 WGUZDONIADZDGY-OAHLLOKOSA-N 427.534 0.476 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)CC1 1690124506 MQMUTTSZHCJLTN-IBGZPJMESA-N 445.593 0.839 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1695963897 VHCJPHZHBPYXEM-MRXNPFEDSA-N 447.521 0.431 30 10 ICEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)CC2)nc1 1698488349 OCQIZMSTZGSODH-QGZVFWFLSA-N 440.508 0.221 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)COCCO1 1706870134 WLFAVHOIQWYAMQ-KBXCAEBGSA-N 426.543 0.824 30 10 ICEE CCOCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1710730868 ZJMXQGQDQPSMDT-ORIGZDJFSA-N 431.497 0.398 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1722699797 YQLNRABPPCIGSB-DLBZAZTESA-N 437.566 0.735 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1722702924 UCFMRSQHUXCZKF-ZDUSSCGKSA-N 431.522 0.287 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 1722718893 OJPSFSJAQSCWNS-HZPDHXFCSA-N 443.570 0.553 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](COC)C1 1722724604 BDMWYYJXKOUDFE-INIZCTEOSA-N 425.555 0.978 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729703032 PKKGRKXVAMQKMX-HMWBCQRISA-N 431.497 0.271 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740635370 NGLMTEUKYGMRNL-OAQYLSRUSA-N 444.513 0.585 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)CC1 1740698195 UMMVCTCLRYTJJE-UHFFFAOYSA-N 433.419 0.990 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)C1 1740972348 HDKOLURKSLJKHT-LSDHHAIUSA-N 442.586 0.974 30 10 ICEE C#CCN(c1nnc(COCC)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748824579 QWWPTKKCURRECF-OAHLLOKOSA-N 426.930 0.991 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1748888276 RBEJYQZMPFLOTI-UHFFFAOYSA-N 439.501 0.606 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1748951486 WIUPAJMLQHDDBA-CVEARBPZSA-N 435.554 0.433 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760099526 IABXIZXGOYFEMS-XMSQKQJNSA-N 432.569 0.941 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763211029 CPYSXBNIGHNLKU-WUTJBMLESA-N 443.508 0.413 30 10 ICEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1768320373 YZIPJMRLEGLKSD-QRYFSLSHSA-N 431.518 0.946 30 10 ICEE COCCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770119519 KKQHVHZZIUORSQ-GOEBONIOSA-N 435.506 0.935 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1850450181 XRQXUCXSSZNJQD-INIZCTEOSA-N 429.546 0.989 30 10 ICEE C[C@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)n1nnc2ccccc2c1=O 1851738886 AVLCHURFRCPJKK-MRXNPFEDSA-N 433.472 0.985 30 10 ICEE C#CCOCCOCCN(CCOCCOCC#C)C(=O)CCOCCOCCS 1857792287 SYPIUWAFGWEETR-UHFFFAOYSA-N 445.578 0.501 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060635214 JRGALMFHNYUCMJ-UHFFFAOYSA-N 434.302 0.944 30 10 ICEE CC1(C)OB(c2cccnc2N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)OC1(C)C 2232319534 DGXABLLRPODUOL-NWDGAFQWSA-N 442.247 0.740 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)n1 2255812688 JLXBGCFKZPPKRO-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1NC(=O)C(F)(F)F 2267272332 YYZHHKSQSQCKHR-MNOVXSKESA-N 445.251 0.643 30 10 ICEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccn1 21082722 XCPOQKSKCMEGOF-ZVBGSRNCSA-N 426.466 0.471 30 10 ICEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 427664006 GRTGSOKJTONNBJ-HZPDHXFCSA-N 436.468 0.992 30 10 ICEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 429476926 ZFKDQFJYJIBRCF-QGPMSJSTSA-N 431.518 0.583 30 10 ICEE COCCCS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462091565 ILJCGGPDCNUIEJ-UHFFFAOYSA-N 433.494 0.655 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)n(C)c1=O 479286743 OPMIQTITGZXSAN-UHFFFAOYSA-N 435.488 0.108 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCNC(=O)C2CCC2)CC1 484892860 ZPHQYLOVROFIJY-UHFFFAOYSA-N 433.534 0.881 30 10 ICEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508807298 BQCSZELAROQEGK-UHFFFAOYSA-N 443.533 0.702 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)nc1 531884281 CUQUCBHENHXJRA-UHFFFAOYSA-N 446.554 0.035 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 557685178 UYFWGXICJHGURM-IRXDYDNUSA-N 447.517 0.694 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 603798941 PTUXZCIHCWHQET-OAHLLOKOSA-N 440.481 0.779 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 604159095 JWOQJGMXMNOJQG-NRFANRHFSA-N 445.564 0.698 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 739829968 NCNMVNZZLHBOIG-UHFFFAOYSA-N 445.888 0.830 30 10 ICEE C[C@H](NC(=O)[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(S(N)(=O)=O)cc1 801552547 DVGFBSYXLWOJCB-JKSUJKDBSA-N 442.545 0.989 30 10 ICEE Cc1cc(N2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)nc(C(C)C)n1 1198328158 RCOMDXXVTMQZNU-LAUBAEHRSA-N 446.577 0.427 30 10 ICEE C=C(C)CONC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1252539367 LYBCMSLZJHMYGD-UHFFFAOYSA-N 425.511 0.442 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286355918 FOBFLTNZFYCNDF-KRWDZBQOSA-N 434.566 0.818 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286397955 VNYPKVRLGQQJHY-ZWKOTPCHSA-N 449.577 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1286399206 BFFXAJANRWERRC-HNNXBMFYSA-N 430.538 0.327 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300485335 YWUHUVZKCNEQDB-ZWOKBUDYSA-N 438.550 0.736 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1300972828 QLKKCTONWWUOEW-UHFFFAOYSA-N 434.541 0.838 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CCO1 1303003648 JGISKMYWSQZIPZ-NXEZZACHSA-N 440.270 0.897 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1314554409 YWTLOCCQCQYVNE-JYJNAYRXSA-N 442.542 0.060 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)CC1 1359029907 KFLSGQGUKPHBDU-JOCHJYFZSA-N 432.569 0.846 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)CC1 1359045832 VOWMEYWERAXKAC-MSOLQXFVSA-N 447.561 0.491 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1360676282 NURGYVOBSLFIRZ-ZIAGYGMSSA-N 437.570 0.933 30 10 ICEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1455706445 UGHNLXWHUAIGJM-IBGZPJMESA-N 432.546 0.367 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cn1 1477752830 BMBGWOPHGYVYTN-UHFFFAOYSA-N 449.519 0.314 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1519512800 QOKMEENPDBXUCO-KSZLIROESA-N 431.518 0.980 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)OC)CC1 1539482316 SIEVSZIVGRWVMI-IAGOWNOFSA-N 437.566 0.571 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1552885090 HURKWDGIVOZQHR-FQEVSTJZSA-N 443.533 0.425 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(=O)NCC(F)F)cc1 1555989902 AEQMYBYLGIABEY-UHFFFAOYSA-N 433.419 0.436 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1558329135 KGUYYXWUWDOPPH-CVEARBPZSA-N 437.518 0.823 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H]3CNC(=O)C3)nnc12 1559031270 YTWCLLGWQFFRTD-CYBMUJFWSA-N 426.502 0.965 30 10 ICEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1565963080 BKTAKWUJDXXMGB-SFHVURJKSA-N 427.505 0.716 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC=C 1588124403 KRXHIYJBNVBTKV-UHFFFAOYSA-N 425.518 0.613 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588800412 FIESXTGCHRSHMQ-QGZVFWFLSA-N 429.550 0.377 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1596750713 CTOXHVQDROPZPY-IEBWSBKVSA-N 437.504 0.970 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1607488016 CVIBFOIAUSAVET-UHFFFAOYSA-N 449.464 0.686 30 10 ICEE Cc1nn(C)c(N2CCN(C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)c1C#N 1617285879 YSJVODKURCSVHX-KRWDZBQOSA-N 438.598 0.724 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1626148345 JUWRYRQWMKJGRT-HUUCEWRRSA-N 425.482 0.200 30 10 ICEE C=CCCn1cc(CNc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)nn1 1651537134 FSXXYGBFQNBTJN-OAHLLOKOSA-N 425.536 0.932 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1 1687593695 XAMNYOKNEMZTSM-SFHVURJKSA-N 447.561 0.792 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1689852433 FGZVTMRUEGTKIP-JKSUJKDBSA-N 425.555 0.886 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCNS(C)(=O)=O 1690092510 LFKXMMQHKDZMBJ-UHFFFAOYSA-N 448.524 0.729 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCOC1 1705595562 XIKFSOABFAHJMU-OAQYLSRUSA-N 442.545 0.853 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCO)CC1 1705634059 IBUJHVHGCXDLDV-UHFFFAOYSA-N 447.561 0.503 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705721185 OCWFLOWSVXWBAA-GXTWGEPZSA-N 439.542 0.231 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1705934459 NHBKEBQRQCSZGR-INIZCTEOSA-N 445.549 0.552 30 10 ICEE CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709371525 STYGEBUFSXBCQV-CVTQAYBASA-N 443.508 0.542 30 10 ICEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1711130725 KHRWBYPCNIKZJZ-REUOLPRPSA-N 431.472 0.940 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1712622871 VVZYXEWXTASFBG-PMPSAXMXSA-N 441.554 0.680 30 10 ICEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712711666 UEGDNWJRLHGCPB-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCOCC2)CC1 1722446537 ZZZDERFIMCALFY-QGZVFWFLSA-N 438.536 0.422 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1722451511 KGBDRZNWBVNCSR-KGLIPLIRSA-N 428.584 0.217 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722726332 CGLGKEOPWXFAKH-JKSUJKDBSA-N 438.554 0.677 30 10 ICEE CC(C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723205327 ZFTWBYCFVADKDY-KRGDBVFUSA-N 429.481 0.863 30 10 ICEE Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726378101 QUMVWLXKBCQNAA-ZLUHGAPXSA-N 441.414 0.618 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727027372 LDKNVSDGEOBGPD-UBSPPKPUSA-N 431.497 0.269 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1740657405 RPRNKIBILMXOFB-OAHLLOKOSA-N 434.547 0.579 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cnnn1 1740664402 OZGDZTNUTIESDH-UHFFFAOYSA-N 443.537 0.732 30 10 ICEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCNS(C)(=O)=O)C2 1742726270 XJJOZTVKBVQBDB-UHFFFAOYSA-N 441.521 0.676 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749228969 GEVKCJGNWPTBJG-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 1749734442 JAONOIUCEJPPOU-INIZCTEOSA-N 425.555 0.865 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1750075592 GKFYIWINNKPLFY-KFWWJZLASA-N 428.584 0.960 30 10 ICEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1751306784 SKXPSTQVOLBTEY-AUUYWEPGSA-N 432.506 0.804 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760328215 SCMIGAOPCASHSX-APWZRJJASA-N 446.552 0.723 30 10 ICEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)COCCOC)cc1 1870160625 BPWGXEYMWZBDGB-UHFFFAOYSA-N 443.508 0.812 30 10 ICEE Cc1nc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)sc1C(=O)N(C)C 1872796282 SWAVXUXGZYHXJQ-UHFFFAOYSA-N 435.531 0.513 30 10 ICEE COCCn1c(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891324781 TXEXVGGXIFLFEM-UHFFFAOYSA-N 448.483 0.881 30 10 ICEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247880098 APHHTSOKOTUXFT-LBPRGKRZSA-N 444.363 0.911 30 10 ICEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255949763 AFHKTRDPMBHCKW-OAHLLOKOSA-N 449.386 0.913 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C 505668186 YEYNQCIUZMVIMY-UHFFFAOYSA-N 437.525 0.515 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 603800522 YMHALCVOERABDZ-MRXNPFEDSA-N 431.514 0.728 30 10 ICEE COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771581868 GBHRSRDEIQVGFA-SPLOXXLWSA-N 430.461 0.632 30 10 ICEE C[C@H](C(=O)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1)n1cnc(C#N)n1 798745114 XPGDKEFFYDLHIQ-DOMZBBRYSA-N 433.421 0.737 30 10 ICEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C 1134052908 RCKZNUMTCNHTTR-YJBOKZPZSA-N 425.532 0.321 30 10 ICEE C=CCCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1185078783 STCIGTDTDJCBGY-UHFFFAOYSA-N 430.552 0.130 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 1221607621 FUWNROLMKGFSNV-GOSISDBHSA-N 433.534 0.086 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286336602 VBWALWRPTUQMCZ-UHFFFAOYSA-N 429.569 0.918 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286389330 IAZLIYNENBBXGL-KBPBESRZSA-N 447.521 0.044 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)CC2CC2)CC1 1286484916 QJINUIZZCCJLOI-UHFFFAOYSA-N 445.593 0.720 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1290343728 RTUMLJMDNVKYRS-QGZVFWFLSA-N 433.465 0.403 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1297274742 AYTXNMZNOAJZJW-ZWKOTPCHSA-N 427.509 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1300312379 ZGZWKIKYWNMGEF-MJBXVCDLSA-N 433.481 0.493 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1300522576 IUVOQIGSKWAOHU-UHFFFAOYSA-N 429.502 0.728 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301569183 RZNLUTNBPZNRQN-LSDHHAIUSA-N 438.554 0.865 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCO1 1309495226 BFRCTGMKOJETEX-MCIONIFRSA-N 440.444 0.004 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358915730 NMYKVAQIFHPLFS-UHFFFAOYSA-N 443.552 0.377 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358957710 YTNQAFUCLMLEOO-OXQOHEQNSA-N 440.566 0.718 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358966256 KWMRZPPVBZWFOR-IRXDYDNUSA-N 433.534 0.720 30 10 ICEE Cn1cc(/C=C/C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(=O)n(C)c1=O 1452960242 ZJOGIZNJCQSEND-BQYQJAHWSA-N 445.483 0.708 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507655022 YJDNJSARGYNLIA-SFHVURJKSA-N 431.456 0.790 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1507671303 IMWLMACHVBDDHT-GOSISDBHSA-N 433.534 0.421 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508109323 QJRLQOGVEZWNNX-ZWKOTPCHSA-N 446.552 0.790 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1539273105 KVJONUNMZLCRLF-UHFFFAOYSA-N 434.500 0.999 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539446392 XWRIJHMXYWHRQU-LJQANCHMSA-N 435.532 0.782 30 10 ICEE C#CCN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1586493841 JVKCZNBAMDFYDU-SFHVURJKSA-N 435.546 0.396 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1 1588198893 BGVIGBCHTUKQFB-SFHVURJKSA-N 442.545 0.428 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595561810 CNHVLVLFUDZMNH-UHFFFAOYSA-N 445.593 0.879 30 10 ICEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615625917 SUFNNGLIFXRJAW-CVEARBPZSA-N 426.543 0.572 30 10 ICEE C[C@H](CC(=O)NCc1ccc(S(C)(=O)=O)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1638046675 GHYFLJQQSDUIDS-GFCCVEGCSA-N 436.515 0.619 30 10 ICEE CC#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1640793907 GTHFQKLSVCDLPB-IAGOWNOFSA-N 435.546 0.961 30 10 ICEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1655004999 JOJCQSOZCGKGFG-KRWDZBQOSA-N 427.461 0.872 30 10 ICEE COCCOCCN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1679945342 WGQCWDFZLIVCDW-IRXDYDNUSA-N 425.530 0.736 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1690672066 GPGZBPSYPDLOEL-HNNXBMFYSA-N 432.475 0.970 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698492876 GRPXMPPLHJQZFK-CVEARBPZSA-N 427.440 0.725 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1705477016 IFTRECUCNGTQPZ-HOTGVXAUSA-N 426.587 0.582 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1705612547 IXLIMVFLJRFBHC-QZTJIDSGSA-N 438.598 0.802 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(C#N)o1 1723589947 BUQFTOFTQDRGPM-UHFFFAOYSA-N 426.481 0.923 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1740941946 XGEGRAJDBKKCCM-HZPDHXFCSA-N 446.595 0.644 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743814449 MQZPMLSBBKUYPS-HJUNTIBCSA-N 428.497 0.532 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748819035 IWAOVILAGRSKQX-MRXNPFEDSA-N 433.509 0.771 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1748820003 WWEYPOYAUGKZMH-GBESFXJTSA-N 445.545 0.431 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1749037496 DGCYMTVRPXZRCQ-CVEARBPZSA-N 443.595 0.593 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1761465741 FHCQPLRETXVNRQ-MDOVXXIYSA-N 448.549 0.936 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1768238106 MCKWDHPNNHAPNG-MRXNPFEDSA-N 446.533 0.878 30 10 ICEE CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)C1CN(c2nccnc2C#N)C1 1849770902 HILVYKVFJXHONF-GOSISDBHSA-N 444.492 0.988 30 10 ICEE C=CCN([C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(C)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854241584 OOOQWJWDYTYVLV-MSOLQXFVSA-N 433.530 0.615 30 10 ICEE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCO 1870324265 CEDITQWWGXJUDQ-UHFFFAOYSA-N 446.529 0.704 30 10 ICEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535900 VNJLRTNDZWZBRY-UHFFFAOYSA-N 433.476 0.902 30 10 ICEE C=CCNC(=O)NC(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195285722 JCBDMCDHOBNQHT-DHMKHTPVSA-N 439.490 0.905 30 10 ICEE Cn1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652716 YMSZMIIESCOCJU-UONOGXRCSA-N 436.318 0.741 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2255699763 RXCFSWJEASWCQU-STQMWFEESA-N 433.318 0.948 30 10 ICEE CN1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1(C)C 440979085 LCSPVXOEJKDGEF-UHFFFAOYSA-N 448.593 0.600 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccnn2)CC1 508497758 NHFQODJTDDRJHV-MRXNPFEDSA-N 448.553 0.668 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 517663900 LVPVLEKMJVLATB-AWEZNQCLSA-N 435.506 0.707 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)n1 555318454 BSCCSROUFCFQOE-KUHUBIRLSA-N 441.463 1.505 30 10 ICEE O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 732155455 BLYQOTNVDOJAIU-FMQUCBEESA-N 432.502 0.703 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(OCCN2CCOCC2)c1 732455329 DWPZOLOIOAMBMR-MRCUWXFGSA-N 443.504 0.723 30 10 ICEE COc1ccc(CN2CC[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 734668188 BOKCEUGZKIHXJA-RUNIHZNKSA-N 427.461 0.622 30 10 ICEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749092553 AJLORTLXFLOINA-OMNBBPDLSA-N 449.485 0.067 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 790746010 GKEICCCHIJGAHM-ZIAGYGMSSA-N 444.604 0.935 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)cc1 1132714895 ZRWZPYQOGAKFKU-HXUWFJFHSA-N 448.501 0.296 30 10 ICEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C(=O)OC 1141995413 PJKSAIHTADTMRM-CQSZACIVSA-N 440.474 0.538 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286449927 KQNIQSPNPDPIPF-GOSISDBHSA-N 429.569 0.803 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1286628667 DSVHSUCQRZSDGK-ZDUSSCGKSA-N 434.950 0.324 30 10 ICEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CCN2C1=O 1295891165 XEWJMGCOSYEZCJ-INIZCTEOSA-N 436.476 0.378 30 10 ICEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300974101 CQWSVZMEKYURSE-KRWDZBQOSA-N 440.504 0.693 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@H]1C 1301401615 CPQSZOROHXIAMZ-BXWFABGCSA-N 441.554 0.329 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301506236 HXKBUNDFJVOOOA-MRXNPFEDSA-N 433.538 0.084 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1302311692 OWXNATQYFCPJBC-VJANTYMQSA-N 434.541 0.578 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C1 1303933336 JBPXFWIRAYRRPZ-WMLDXEAASA-N 444.583 0.250 30 10 ICEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1358965896 DEJZACFINNFOBT-KRWDZBQOSA-N 445.545 0.928 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1359335328 IDPSBBOKILVLHA-HNNXBMFYSA-N 447.627 0.942 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507725700 ZBRZTEXHOLRKHD-QGZVFWFLSA-N 431.566 0.463 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1507831901 HWIBBYPMSYLUJB-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1507844296 HJMITXBOOHNRQH-SJORKVTESA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1508088010 RAXXFCFHOQYLTR-UHFFFAOYSA-N 443.508 0.757 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1508141500 NEULOFQDVRGREV-HUUCEWRRSA-N 427.527 0.072 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508332325 WBCZDCYEYBIYKH-XSAFGROZSA-N 443.508 0.413 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1509684065 LKPFBPHTZQFWLX-QGZVFWFLSA-N 430.557 0.755 30 10 ICEE CCNC(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1515986932 FOZZXJYGPOMBQJ-SFHVURJKSA-N 437.504 0.927 30 10 ICEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCCO)CC1 1521109546 CKWITVVNHKLJLO-GOSISDBHSA-N 427.509 0.774 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539370561 XJDICYWVCONKQJ-CABCVRRESA-N 449.499 0.903 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1539452312 ONVQGZSHKRRMMK-QZTJIDSGSA-N 437.566 0.131 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1543558634 VPKDDDFGTISXCI-GFCCVEGCSA-N 425.898 0.171 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1562197846 VKOFZWGAMVISJC-IBGZPJMESA-N 438.506 0.242 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588924208 XKFGLMUJVRJIHA-MJGOQNOKSA-N 441.536 0.696 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)OC)C1 1595728375 BJISVNWRGRVBDP-BBWFWOEESA-N 443.570 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595799310 YPORURXYWUPDLV-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 1615209067 LMPDMGCYLYBDCN-LJQANCHMSA-N 443.548 0.801 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1627517298 DDPONDQIFNQGJG-WMLDXEAASA-N 444.517 0.380 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]2CCCN(O)C2=O)cc1 1636546224 MCRXZCMRODFPRM-CVEARBPZSA-N 445.563 0.982 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)CC1 1685756535 MHXMOZRVUUDPAL-YLJYHZDGSA-N 434.518 0.464 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cn2)CC1 1690144276 SDLCUIWAPCFQJO-KRWDZBQOSA-N 425.468 0.777 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690464938 NRBGIEBIORZMEH-IAGOWNOFSA-N 425.555 0.878 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1705612589 KDTIKRKKSLILEA-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705634972 NVLUPOOKFKGAFH-COPCDDAFSA-N 433.553 0.614 30 10 ICEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1712173495 MCMYZSIJMNGKBD-UONOGXRCSA-N 427.440 0.905 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1722365523 FFRNXXHXLFZQGR-RDJZCZTQSA-N 435.550 0.468 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722628799 HECFLSXFJUQSLL-UHFFFAOYSA-N 442.524 0.580 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1722694790 IOCCQJCQGSSNQE-UHFFFAOYSA-N 442.476 0.271 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740624048 DERYLFOTDKKZHC-MRXNPFEDSA-N 428.518 0.400 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741291604 HZBIHZWWBLJNHB-IENXAOORSA-N 445.524 0.517 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCN(C)C2)c1 1748693069 XDEKIKYKCIYSCZ-HSZRJFAPSA-N 448.531 0.801 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760272478 LTASLBGSVKPSPG-CQSZACIVSA-N 428.584 0.301 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC2(CCOCC2)C1 1760553622 FYPCFNNCZPAEOJ-UHFFFAOYSA-N 434.522 0.722 30 10 ICEE C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1770623564 WUSVBOKMFAKPBE-MAVOOCPZSA-N 430.509 0.906 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)CC1=O 1855740881 HCGHMOLERQCUAL-SFHVURJKSA-N 430.530 0.913 30 10 ICEE CC#CC[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 2298014561 FZNPMYFMKLKFLD-LVQVYYBASA-N 441.525 0.750 30 10 ICEE CCOC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)C[C@@H]24 33829954 CMVMKMSNNMBUMZ-UTQVZMMYSA-N 436.457 0.419 30 10 ICEE O=C(NCCCNCCCNC(=O)c1ccc(C=NO)nc1)c1ccc(C=NO)nc1 254382727 XMDFFSRFGLIPRG-UHFFFAOYSA-N 427.465 0.622 30 10 ICEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C#N 427101109 OJAHNKHVNSYEEW-UHFFFAOYSA-N 435.531 0.999 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 508829041 XJPIPEADHVFEHD-IXDOHACOSA-N 442.586 0.342 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCN1CCOCC1 514492291 LYRUTAUVXBVVMG-UHFFFAOYSA-N 446.598 0.641 30 10 ICEE CS(=O)(=O)NCC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 586999414 CYUPUYIZRKJWSC-UHFFFAOYSA-N 428.536 0.280 30 10 ICEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 603797796 GWSHPPOSGOUJQD-INIZCTEOSA-N 425.510 0.879 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603798492 MBSMSHMECNJGJG-KRWDZBQOSA-N 425.510 0.451 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729672275 GLIMQWIONOBMAC-UHFFFAOYSA-N 430.493 0.444 30 10 ICEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732467430 XCCYQENZVIYDKF-LZICOFPGSA-N 432.525 0.287 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1 749099783 AZWLAKBMGQONAL-MWDXBVQZSA-N 434.470 0.163 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286394994 QKSQBKGZHUUGHU-JTDSTZFVSA-N 440.591 0.667 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286408400 GEAWCKOGONQFDN-HSZRJFAPSA-N 429.484 0.743 30 10 ICEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1299319086 ZSOUUCPLGPOUHR-INIZCTEOSA-N 435.579 0.656 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)CC1 1300683511 OXDSNLIGARFGDE-SJORKVTESA-N 446.581 0.418 30 10 ICEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589616 KBXGMXDDHISSFD-CYBMUJFWSA-N 435.506 0.946 30 10 ICEE CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1357210051 NVZUNQOTMWOOTE-INIZCTEOSA-N 428.493 0.680 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1359294479 UXRMIZRSAFIKPR-UHFFFAOYSA-N 444.492 0.552 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1359300848 LIVUAPGXOFOYAL-UHFFFAOYSA-N 441.540 0.327 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507575072 QLAWAHIROUCRRZ-INIZCTEOSA-N 442.549 0.895 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632639 OOTLSWIBSAXMMF-SQNIBIBYSA-N 448.593 0.588 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@H](C)CC 1507980594 HNNPRPWECHWETB-CABCVRRESA-N 428.559 0.538 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1508084030 FRPJGNBWIRVLLT-UHFFFAOYSA-N 437.483 0.822 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 1539647857 YSNOMXBSQICLHH-HRAATJIYSA-N 446.552 0.852 30 10 ICEE CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1541137781 DFMZCFWDRLBODU-UGSOOPFHSA-N 426.518 0.784 30 10 ICEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1548185429 SVGJGKTYIWDQSK-GVDBMIGSSA-N 438.554 0.748 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 1588836512 KUOAVKGMXVQXSA-KRWDZBQOSA-N 446.458 0.927 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1595551920 YHGCVHFOIQGXDT-WMLDXEAASA-N 426.477 0.795 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602753 PYIZHLISEGFIHC-HXUWFJFHSA-N 436.513 0.509 30 10 ICEE CNS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1596611405 LNSFBYBIFJUIPG-HMMYKYKNSA-N 431.540 0.272 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cn1 1618399444 BSDFPNDHHNBRFP-HUUCEWRRSA-N 440.430 0.670 30 10 ICEE N#Cc1cccnc1NCCNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1625770546 RPQVFCJUPVMLCJ-UHFFFAOYSA-N 429.502 0.941 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 1632966654 UFLGIRBOSPAMKC-UHFFFAOYSA-N 447.966 0.504 30 10 ICEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1636028824 IHVXSQIELHUCSN-YJBOKZPZSA-N 440.547 0.453 30 10 ICEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1637523926 HXJJYLAPJSCFAH-KBXCAEBGSA-N 430.527 0.498 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690122565 VOIDRFASJAIXSU-FQEVSTJZSA-N 449.559 0.929 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCc2ccccc2)CC1 1690130295 DIMUEPGNXDVXKZ-UHFFFAOYSA-N 449.559 0.515 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1690680586 WGZLNVBOKDZODQ-ROUUACIJSA-N 440.504 0.794 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1705628632 LWSNROZYNCSRJK-IRXDYDNUSA-N 439.538 0.390 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1705875636 AWCGDCKQUCCLKV-IAGOWNOFSA-N 441.554 0.595 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722367303 VMZCMVLKIBEIGS-HPGBDJQBSA-N 435.575 0.659 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1722369989 JVLIZKYIUURPQJ-BBWFWOEESA-N 438.550 0.665 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722382338 YCJCFSKDXIMLOU-IRXDYDNUSA-N 433.520 0.803 30 10 ICEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722461739 FPPMQZRJJTZYMA-UHFFFAOYSA-N 443.581 0.713 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1722699792 YQJYMBMELXIQMJ-MRXNPFEDSA-N 433.490 0.328 30 10 ICEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731018016 JQRYGPGVIJPZMM-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H]1O 1748333316 QZIACQWYVNBIMD-IAGOWNOFSA-N 447.517 0.612 30 10 ICEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1760344973 XCFDZVNXAPQVRX-KRWDZBQOSA-N 428.541 0.974 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)[C@@H]4CCCO4)C(=O)C3)C2)cc1 1855847167 FXDAFFWBTOQXOI-WMZOPIPTSA-N 432.502 0.171 30 10 ICEE COCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247877562 IKWZVIUMTYRJGI-UHFFFAOYSA-N 436.343 0.952 30 10 ICEE C=C(CS(=O)(=O)N1CC(NC(=O)OC(C)(C)C)(C(N)=O)C1)B1OC(C)(C)C(C)(C)O1 2247903727 JJPHSRZECMITEU-UHFFFAOYSA-N 445.347 0.568 30 10 ICEE COc1nc(C)nc(N/C(O)=N/S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 39303893 SGSZGYLAGAZQSG-UHFFFAOYSA-N 430.468 0.154 30 10 ICEE COc1ccc(C(=O)/C=C2/NC(NS(=O)(=O)c3ccc(N)cc3)=NC2=O)cc1OC 101383012 PJHDVNDDFMPNEE-GXDHUFHOSA-N 430.442 0.817 30 10 ICEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](N(C)S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509206510 ZAGOXLXEGQKOLL-BRWVUGGUSA-N 448.615 0.730 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Cc4noc(C)c4C#N)CC3)C2=O)n(C)n1 509639122 UIOWHLJKRJJPCZ-SFHVURJKSA-N 425.493 0.779 30 10 ICEE CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 603956618 YVZCDFIJOKYMTR-UHFFFAOYSA-N 447.970 0.010 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 609253942 RDHOJEBCDGCHGB-GASCZTMLSA-N 439.513 0.879 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O 729674120 CBSWLWUYXUVURP-UHFFFAOYSA-N 433.555 0.230 30 10 ICEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C(=O)N(C)C)cc1OC 732706128 GLRMIYHZPSPGFE-CQSZACIVSA-N 429.477 0.543 30 10 ICEE CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 767751127 MBSCQYXRCFFOSO-IAGOWNOFSA-N 431.555 0.832 30 10 ICEE C#CCn1ccc(CN(CCOC)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)n1 788560265 PKVJCWIQXVQEFL-UHFFFAOYSA-N 425.532 0.976 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 790237124 FUWFYRAAIVNMBF-XOBRGWDASA-N 447.517 0.485 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1F 800668375 UDXRHSXHYYQMSD-DZGCQCFKSA-N 433.527 0.738 30 10 ICEE COc1ccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1 1084644313 AIKXLMPEUQXCPX-UHFFFAOYSA-N 427.450 0.684 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286779378 ITIOVGMASCTNJP-KXBFYZLASA-N 441.554 0.319 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1286782556 YIZAMELJLBQJOH-HNNXBMFYSA-N 448.549 0.723 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](F)COC)CC1 1300691320 UZLRSTBUWKMPAN-QGZVFWFLSA-N 425.472 0.661 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1301536302 UKEXUJFUOKDDTO-GOSISDBHSA-N 433.557 0.362 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301577123 FJBPJPIOFHPELO-MRXNPFEDSA-N 434.522 0.282 30 10 ICEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1315793250 HJFVCGABZPJGEE-IBGZPJMESA-N 441.536 0.688 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1358948358 ATKUUKDTTSVXDT-GFCCVEGCSA-N 425.540 0.143 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1359291676 AASJXXMMAJZPSO-UONOGXRCSA-N 430.600 0.912 30 10 ICEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1470488579 WBSKDNUOVIWVRZ-GDBMZVCRSA-N 435.502 0.242 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1507690023 ORJCIHDLEDYRQQ-OAHLLOKOSA-N 440.570 0.233 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1507772178 IHDBUTLCFKDVNZ-FXAWDEMLSA-N 447.565 0.579 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508071991 DDPAHYKCKKFXIF-GRYCIOLGSA-N 438.476 0.825 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1508090934 KOCDOSSZAZGTCO-QGZVFWFLSA-N 433.557 0.075 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(CC)CC1 1539295781 GAVVLHGIFPHMIV-MOPGFXCFSA-N 449.625 0.377 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 1539452654 XFLRVUGQGZLLNR-MOPGFXCFSA-N 448.593 0.723 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1539615795 MBSKJLVPWSQEKY-FZKCQIBNSA-N 441.554 0.869 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1540861702 CSEWIBVEIFLKFS-UHFFFAOYSA-N 431.541 0.700 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540871583 OZJMKSRWYJKTIG-CVEARBPZSA-N 442.524 0.482 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540902812 QZPKWSVPQHCJCN-WBVHZDCISA-N 425.555 0.830 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)ccc1F 1557976339 ICPFMWHESFGNAR-UHFFFAOYSA-N 445.480 0.938 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1561875777 GOOXVGBKXYJMPO-IFXJQAMLSA-N 439.490 0.926 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2I)CC1 1562170149 LVHAMRHCPOPZLQ-UHFFFAOYSA-N 448.286 0.908 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588029741 LLOCTNQDHYZSOD-CVEARBPZSA-N 443.595 0.454 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C(C)=O)CC1 1588128095 CGRHRFQAJUJXMZ-UHFFFAOYSA-N 437.504 0.243 30 10 ICEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1588260904 BMXXHGKHVBJPSQ-PAPYEOQZSA-N 426.395 0.556 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1595759424 FGRHVPJULXNABD-MCIONIFRSA-N 435.572 0.103 30 10 ICEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1620532273 GMXRNCGAUNMDGD-IVZQSRNASA-N 430.505 0.966 30 10 ICEE CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1626004026 LNEQSHSPKSREBX-SILNSSARSA-N 439.519 0.973 30 10 ICEE CC(C)(C)OC(=O)CN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1632288414 AFVFMIAYMWHEJX-UHFFFAOYSA-N 436.534 0.759 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1638024862 HASZVYNXNLPCOS-CQSZACIVSA-N 435.554 0.819 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 1640509028 HNQSDFVIVRRQNO-AZUAARDMSA-N 444.557 0.674 30 10 ICEE C=CCC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1640862961 CMBPPAIXMWFELP-JTQLQIEISA-N 426.271 0.907 30 10 ICEE N#Cc1cn(CCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c(=O)nc1O 1644447798 WJVRYBVVYGLIFG-JOCHJYFZSA-N 437.456 0.241 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 1671035252 UVJIOEHSQCMWJM-QUCCMNQESA-N 433.578 0.692 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1690660934 RCHZDJMWTJNKQN-CXAGYDPISA-N 428.584 0.524 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1690672440 RRXHLEMIBOFSBM-OAGGEKHMSA-N 440.570 0.538 30 10 ICEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1 1705762148 OFEUXYASYNFBGX-RDJZCZTQSA-N 426.949 0.965 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1705901294 HXAHGACJOWYACY-MRXNPFEDSA-N 429.550 0.915 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705908386 ARUARBINPBITNA-XFQAVAEZSA-N 448.524 0.556 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2=CCCOC2)C1 1712706861 PSNWUEAXQLAOGN-QGZVFWFLSA-N 436.538 0.698 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCN(C)C2)c1 1722308484 BCYRPPAASCYFIP-HSZRJFAPSA-N 446.515 0.858 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC2(C)C)CC1 1722437627 OKFSOAVAYZHRLK-SJORKVTESA-N 436.582 0.412 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740617425 QYXSZGFEUMXQOJ-PXNSSMCTSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740625910 UAJBLZMTGHIPPV-SJORKVTESA-N 433.534 0.372 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1740710351 YCUIDGHGOUOFBK-CABCVRRESA-N 442.611 0.750 30 10 ICEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1747390901 KTPGAUZKGZASRG-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1747615930 WENHAMZUWGZVGX-UWZWCOGJSA-N 436.538 0.725 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1748805753 VQVCMAOMQTUJJI-QFPXGYFVSA-N 446.533 0.555 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(F)F 1760116269 GNMOGKAAVSBZSF-UONOGXRCSA-N 435.497 0.741 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1763201213 ITHORXCMTFPYKB-KRWDZBQOSA-N 445.549 0.861 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1763226868 RSDHPKNSIORJOX-AFOCRCJBSA-N 429.481 0.371 30 10 ICEE C=CC[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 2210495355 MONBORCJOBSNRB-KBXIAJHMSA-N 429.514 0.913 30 10 ICEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C)c1=O 478836370 CEUYCRLULMQKAP-SNVBAGLBSA-N 437.319 0.442 30 10 ICEE Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1-c1cccc(C#N)c1 502933831 KEIZMUOGGRMDQR-UHFFFAOYSA-N 444.517 0.387 30 10 ICEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2 510481589 MRXGXNVMRLGUSB-OALUTQOASA-N 425.537 0.868 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)CC1 530594612 KTNBJFOMSFWIBC-QHCPKHFHSA-N 439.516 0.432 30 10 ICEE N#Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C(F)(F)F)c1 579895354 QNXNBYJEBXFSQK-MRXNPFEDSA-N 444.479 0.998 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 604002660 GKVDWLPCJJQOFR-UHFFFAOYSA-N 432.509 0.924 30 10 ICEE C#CCN(CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C)[C@@H]1CCS(=O)(=O)C1 731213677 NDSPZJUQTLTFIO-VQIMIIECSA-N 431.514 0.932 30 10 ICEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 733672981 JFRUTBQVKCSFLJ-UHFFFAOYSA-N 434.518 0.386 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)c1 813564735 IZMJZPLSDPOUTF-YOEHRIQHSA-N 429.546 0.802 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)NCCC(C)C)c1cc[nH]n1 1136640304 SGYWSUQYOFAXDN-AWEZNQCLSA-N 425.511 0.757 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1286494475 UKYOYWXWFYHJBK-IBGZPJMESA-N 444.580 0.859 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1286509511 RPJZYCDMNQXLCM-AWEZNQCLSA-N 427.596 0.898 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1286792173 OXWYJUUBZNHPRL-OAHLLOKOSA-N 428.493 0.835 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1298692176 ZNGVVFHLRLXTCF-UHFFFAOYSA-N 425.536 0.732 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1300501197 HRVUUFOZBYDREO-ZWKOTPCHSA-N 449.577 0.352 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1300556569 JCRQTAXWTCNWSH-SJORKVTESA-N 435.550 0.894 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(O)CC(OCC)C2)CC1 1300719914 VIYQDPSYIXWNNP-UHFFFAOYSA-N 439.520 0.631 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300950583 HNRQOQVDEFAVAR-INIZCTEOSA-N 444.565 0.997 30 10 ICEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H](C)COC 1307924464 QNIPHSXMZKDONM-INIZCTEOSA-N 440.522 0.951 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359296571 NGFUWBXCRWKRLH-HNNXBMFYSA-N 447.517 0.989 30 10 ICEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1OC 1450463479 BEUOQRVYCFDTHX-UHFFFAOYSA-N 445.501 0.598 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1469793679 UBPSECUXKUOKGU-HXUWFJFHSA-N 449.577 0.072 30 10 ICEE C[C@H](C(=O)N1CCC[C@H](n2nncc2I)C1)n1cnc(C#N)n1 1471494423 LGKOSVRAVUZQQW-ZJUUUORDSA-N 426.222 0.771 30 10 ICEE CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1503423436 FZZIICMBSPVBDN-OLZOCXBDSA-N 439.519 0.316 30 10 ICEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504818450 AYUHQXBMNSLASF-MRXNPFEDSA-N 439.524 0.927 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508071995 DDPAHYKCKKFXIF-IJLUTSLNSA-N 438.476 0.825 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1539201314 ZWCXHXCWARYRPE-QGZVFWFLSA-N 437.566 0.694 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1539417088 XVQCYLUQXSCAJE-MRXNPFEDSA-N 439.563 0.807 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1588732858 IBUNPTWXKPJIES-LJQANCHMSA-N 431.585 0.672 30 10 ICEE C=CCC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1595699743 PPTNXGDZAPJKBX-UHFFFAOYSA-N 435.546 0.758 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1611658262 AJMCWEWCFGSZHA-VHSXEESVSA-N 425.437 0.305 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1623498981 LNZWBZPVBLPADX-HYBUGGRVSA-N 438.528 0.929 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCC(S(C)(=O)=O)CC1 1652026417 VBPHXVBGSYYKJR-VQCLRJIVSA-N 427.548 0.945 30 10 ICEE Cc1cc(N(CCC#N)C(=O)CNC2(C(N)=O)CCS(=O)(=O)CC2)ccc1Cl 1659867908 CVRKFLOPRRUDKX-UHFFFAOYSA-N 426.926 0.917 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(C)c1Br 1660909211 CHQDOOWZKMICRF-JTQLQIEISA-N 426.300 0.744 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384675 IWEXMMLEGVPBRP-UHFFFAOYSA-N 441.579 0.879 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1690992863 ALSUXKWXTDMTDA-KGLIPLIRSA-N 435.558 0.850 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559529 BYQMQALDWAGFQL-XUWVNRHRSA-N 443.595 0.732 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1 1705912428 JPLABLWGKFZBLX-WMZOPIPTSA-N 440.504 0.794 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705946926 VCULTFCPSJXRKO-UONOGXRCSA-N 434.609 0.723 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722358490 IFFSJABBVNZMON-AWEZNQCLSA-N 436.563 0.742 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722363254 ZLSRPLKRVSLCMD-HOTGVXAUSA-N 445.549 0.220 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1722536308 DEUQBSYKJOUDBZ-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)C)C1CC1 1722651370 SORZIXPUIHIUFM-MRXNPFEDSA-N 440.570 0.681 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1729740556 AQYHBDYBFAFAKA-MRXNPFEDSA-N 432.506 0.755 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1730875577 MWMZZISBVNBIDL-KSSFIOAISA-N 432.481 0.856 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740627615 RNDGNJJIWDTQFA-GQIGUUNPSA-N 434.518 0.909 30 10 ICEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740857604 SJFKIQDRKMJWOY-UHFFFAOYSA-N 430.517 0.108 30 10 ICEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740890412 XNYGAWNWLHYGRQ-UHFFFAOYSA-N 434.541 0.502 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCSC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1741682900 CEQFUOFBTDYBDL-PERWBAPNSA-N 433.538 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2OCC[C@H]2C)CC1 1749015932 SJUUBGODZAFURH-SJLPKXTDSA-N 428.537 0.791 30 10 ICEE CC(C)N(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750075304 CTNPOEOPFGEKAR-SJORKVTESA-N 441.602 0.937 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1760225866 ZHQBQKVSRCLVFZ-HZPDHXFCSA-N 434.570 0.750 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCn2cc(CO)nn2)CC1 1760262920 GTSSPBQQFCOAKV-UHFFFAOYSA-N 434.548 0.993 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760523118 MTIASTCZTSVKIA-UHFFFAOYSA-N 436.524 0.483 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760542501 HXYMNRNQHDATNV-BZUAXINKSA-N 444.579 0.396 30 10 ICEE Cn1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255610847 PUVRJWUBNIOQIF-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2267880332 SHAIJLLWXZOFTD-AWEZNQCLSA-N 448.329 0.830 30 10 ICEE C#C[C@@H](C)N1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2362112157 JMSXMZHIIPQYDL-SJLPKXTDSA-N 437.518 0.424 30 10 ICEE CC[C@@H](C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 31294841 XBWIHRJEMMBRCO-DNVCBOLYSA-N 436.534 0.568 30 10 ICEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 448376162 PYQCGZHNECSMFC-AWEZNQCLSA-N 429.520 0.173 30 10 ICEE C=CCN1CC[C@H](N(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1=O 500023885 JVRQNCUAPJNSHY-KRWDZBQOSA-N 439.516 0.562 30 10 ICEE CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)ccc1C 545506115 KDTATLNXDOQICL-UHFFFAOYSA-N 428.518 0.931 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604000835 DHNLTYUUYUIXRX-UHFFFAOYSA-N 443.488 0.528 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 767680760 NYPGRFCABKYCSO-BMGDILEWSA-N 435.502 0.938 30 10 ICEE C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808655174 COPHNMFSPQIYTE-HNNXBMFYSA-N 437.518 0.316 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1 1154355459 MQCBTFXROQCVTE-GUDVDZBRSA-N 447.557 0.870 30 10 ICEE O=C(NCC#CCO)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1254503769 XBOAEVZUMFKBOB-UHFFFAOYSA-N 436.353 0.912 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)C)CC1 1286475160 XZHBQKCYTRORDI-UHFFFAOYSA-N 448.535 0.591 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1288840028 FVTXSSITUCZOHB-ACJLOTCBSA-N 433.542 0.604 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1300480206 ZLZXHCOPKYZPRY-QGZVFWFLSA-N 442.545 0.893 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488227 PQHJAHXCGVLKNI-WRWLIDTKSA-N 431.518 0.507 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1303805286 DCGKOFIFNFDZAE-STQMWFEESA-N 432.572 0.451 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359223020 YOHHAEDLXMEFMT-HUUCEWRRSA-N 441.558 0.037 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)c1 1468154337 JXSHFWTXGKMCOL-MUUNZHRXSA-N 440.543 0.515 30 10 ICEE CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cn1 1502229511 HMJJMGGZMKXLIY-HOCLYGCPSA-N 436.542 0.472 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1503254854 PFOYWLBLVZKOGD-IRXDYDNUSA-N 428.518 0.966 30 10 ICEE COC1CCN(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1504490960 ADYVRGRPWMGNIQ-DLBZAZTESA-N 431.541 0.847 30 10 ICEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1504490974 ADYVRGRPWMGNIQ-IRXDYDNUSA-N 431.541 0.847 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508070760 CNGRPLVHLGGEOT-CABCVRRESA-N 429.481 0.468 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1521114636 HYIOZIIJYMSIGB-GJZGRUSLSA-N 427.552 0.355 30 10 ICEE Cn1nc2c(c1C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CS(=O)(=O)CC2 1522320437 XDZAPGZYNWNQEW-KRWDZBQOSA-N 427.486 0.688 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539454129 XEBNDFCRZIZIHD-QURGRASLSA-N 446.515 0.546 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2cnnn2C)C1 1588318127 VSBQJGCOTVNVQO-CQSZACIVSA-N 432.506 0.142 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NC(C)C)CC1 1588877164 XPVYIXHWPBJLSY-UHFFFAOYSA-N 429.525 0.005 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)C)CC1 1588885553 XHCUXBIOPJMVMO-UHFFFAOYSA-N 431.541 0.297 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1595799376 ZKCXSTIHDJGIQV-QGZVFWFLSA-N 427.571 0.541 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595804498 AKJDLADPZDOLRH-GOSISDBHSA-N 444.561 0.992 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1611686316 DPFSUCRPTNKFOB-DAYGRLMNSA-N 443.549 0.177 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n[nH]2)c1C 1627713975 SASHXVNPLOUUEZ-MSOLQXFVSA-N 448.549 0.304 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)CCC(=O)c2cccs2)CC1 1632960863 OIEMVAQINSBPKY-UHFFFAOYSA-N 425.532 0.672 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1636857032 REIXUDOBDFWHDO-OGBLXPDQSA-N 442.559 0.840 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4cc(=O)n(C)c(O)n4)C3)n[nH]2)c1C 1645578209 PFIFOELUUOYWQL-CQSZACIVSA-N 438.492 0.884 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1648028732 LXEFCMGGTJYUDS-AWEZNQCLSA-N 449.514 0.427 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1666566887 QIWVKEYECKDHBT-INIZCTEOSA-N 448.588 0.327 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689994038 PRRDOHKITKALQI-MRXNPFEDSA-N 443.595 0.187 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1690015381 KNQFOQCOBQMGSL-UHFFFAOYSA-N 445.483 0.916 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690124181 HAFNVBZEUZZNEL-RTBURBONSA-N 430.553 0.770 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCCN(C)C)CC1 1690142584 RANPATTUYXBEGO-UHFFFAOYSA-N 427.553 0.828 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNS(C)(=O)=O 1690237389 YIGMKJFPNSPBPF-CABCVRRESA-N 428.559 0.383 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690725357 NJPDFBHLDMNAJQ-UHFFFAOYSA-N 432.554 0.682 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1696961774 CBZABCCJACTPOU-RCCFBDPRSA-N 426.477 0.308 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1722367238 VPRVRGAVBUDVES-YLJYHZDGSA-N 440.566 0.982 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1722706813 YUMRVEYFJCTYDW-OAHLLOKOSA-N 428.493 0.870 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2nnn(C)n2)c1 1740564267 HGPBLBPBMXRGDL-UHFFFAOYSA-N 442.487 0.892 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(S(C)(=O)=O)cc1 1740601123 RXOZOALOXMFPCT-CQSZACIVSA-N 439.563 0.604 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740623099 ODLOVLOAINHEDP-HZPDHXFCSA-N 426.564 0.750 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1740685118 BCVKAUDVWUCKJR-GVDBMIGSSA-N 425.555 0.914 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1741000884 HQRQEAFBRNGSSD-IRXDYDNUSA-N 447.609 0.891 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741198688 HMQAYYUFRUESGY-JVMRMLDLSA-N 443.552 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748814405 FMBWXKNFKXINBG-CABCVRRESA-N 430.552 0.191 30 10 ICEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749449238 JUAQNTJFLYNMRY-OAHLLOKOSA-N 445.911 0.733 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749649840 CMXKISPXMQFMLE-CKJXQJPGSA-N 432.525 0.589 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749650917 JJROSUVOLMUVFW-HNNXBMFYSA-N 440.508 0.723 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760351847 LDZWKWCAXOLSFX-OAHLLOKOSA-N 426.481 0.732 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760555588 IKSARKXEWBIQDK-JKSUJKDBSA-N 438.554 0.329 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1760698222 DWFWCTNNTLHBLC-LBPRGKRZSA-N 425.540 0.415 30 10 ICEE COCCN(CC(=O)N1CCC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)S(C)(=O)=O 1855007257 BZYLUWWOHCTHCA-CVEARBPZSA-N 426.539 0.038 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2298374365 QUJSMCGWQUKXTB-KHMAMNHCSA-N 426.319 0.926 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 461308284 UFBBSUQJNYJEQV-UHFFFAOYSA-N 442.563 0.718 30 10 ICEE N#Cc1cccnc1-n1cc(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cn1 461744209 CXZOJFWFWFBRKO-UHFFFAOYSA-N 431.460 0.996 30 10 ICEE CCN1CCN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)CC1 732446982 ZXXPYHMDIVSSFW-VXPUYCOJSA-N 427.509 0.549 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767881329 MTZZUMRHRMYMOD-UHFFFAOYSA-N 438.534 0.776 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@@H](C)C1 784907013 LWOGFOKBNQMJQR-RJHYDAJSSA-N 449.533 0.517 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)ccn1 795967671 PGAFOZNFXFZHID-LJQANCHMSA-N 436.424 0.621 30 10 ICEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1158215326 AHFSJFCSIIAPFU-UHFFFAOYSA-N 435.531 0.760 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NS(=O)(=O)CCC)cc2F)C1=O 1158360166 JBSBRQFNISZVRI-UHFFFAOYSA-N 426.426 0.893 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1171431417 YAIVDLYKLPATMN-OAHLLOKOSA-N 445.925 0.857 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286341485 GCJYNIMPFPPKEH-CVEARBPZSA-N 438.554 0.129 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)Cc1ccccc1 1286360722 IZYCYTUWLQHWMJ-HNNXBMFYSA-N 439.563 0.573 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1300529625 NPXVBPQOXVRUNM-UHFFFAOYSA-N 430.559 0.792 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1300884667 LMPPXIFFJFCWME-KNBMTAEXSA-N 446.552 0.942 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1301326643 DVWNROZPKFWHBP-CQSZACIVSA-N 444.579 0.275 30 10 ICEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314491544 ONBRTXSIWFUOJM-INIZCTEOSA-N 439.524 0.814 30 10 ICEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOC1 1315268263 BZWJHPDSSGFDOS-DENIHFKCSA-N 440.504 0.964 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1318692856 FAJOKBLTGWRDKN-VLGSPTGOSA-N 440.428 0.662 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1359136058 YDTMOKHPEJZISK-UHFFFAOYSA-N 433.557 0.203 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1360683787 GVQPXRPMTYLPPH-JKIFEVAISA-N 429.522 0.051 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(=O)n(CC=C)c(S)nc3c2)CC1 1471451552 WGSTZBMEOQKVND-UHFFFAOYSA-N 447.542 0.097 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508332324 WBCZDCYEYBIYKH-SKOAFDGASA-N 443.508 0.413 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539220309 IHDXJHFIJOLHOY-CABCVRRESA-N 448.574 0.978 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(I)cc2)CC1 1562050306 OKLAHQYNVZNLKF-UHFFFAOYSA-N 448.286 0.908 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1587641255 YVBLBMJTVFLEHX-DOTOQJQBSA-N 435.554 0.435 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1593637142 YJPAKAVMOIDXKM-KDOFPFPSSA-N 440.526 0.218 30 10 ICEE CC(=O)NC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596506659 ANGICKKLXHMDDG-VXPUYCOJSA-N 427.509 0.862 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCC#C[C@@H]2CCCCO2)cc1C 1637185508 FEXHWQUXFOPRFM-PKOBYXMFSA-N 435.546 0.905 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 1662385893 SIAKULQNYWXFOM-UHFFFAOYSA-N 429.926 0.803 30 10 ICEE C#CCN(C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1673446676 YLIFWGQAUCCOGI-QGZVFWFLSA-N 425.532 0.876 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1682226500 KWFCCGJZAWUPRK-PXNSSMCTSA-N 432.502 0.258 30 10 ICEE C#CCCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1689906680 QXZZHRLJXPAALX-JOCHJYFZSA-N 432.569 0.944 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1689982668 RRQKJSMXRFZODD-UWJYYQICSA-N 446.529 0.732 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689998610 QUFJETGDTXYTFB-QZTJIDSGSA-N 443.529 0.904 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690129505 ZGIRCXKTDPHBEF-LJQANCHMSA-N 428.562 0.986 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1690155801 OUYIVKCFLFDNFM-AWEZNQCLSA-N 440.595 0.361 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690508046 ACTVFYPTTXELAW-HZPDHXFCSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690655146 IPGSVBNZTZSPKB-CQSZACIVSA-N 443.474 0.889 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692235729 QLGAFQLJDUEAQM-IJYGLTAASA-N 442.524 0.559 30 10 ICEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1698365179 BCGBLDHZYJYGDS-KBPBESRZSA-N 442.567 0.235 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1705608078 CXCAVKGYPHJMSD-INIZCTEOSA-N 434.464 0.369 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1705613329 YGDCMPBQHBIYMF-CYBMUJFWSA-N 439.567 0.533 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705637847 OFVGVDSGJKRLFP-UHFFFAOYSA-N 426.569 0.669 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1711418824 PPNYNFOJFGZEOP-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1712711058 ZGKYEGCMHCBHNZ-HXUWFJFHSA-N 443.533 0.615 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNS(=O)(=O)CC 1722282602 OASRRALAQUAGJC-AWEZNQCLSA-N 429.510 0.318 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722528084 CVACBEGYPJUUBE-GVDBMIGSSA-N 443.570 0.865 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722622675 QNSXIRWMYXULNV-HRCADAONSA-N 440.570 0.538 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740615549 GUBZEZGEEBIKLG-SJORKVTESA-N 436.582 0.385 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@@H]1C 1740959866 GHCCWAJJALQJRX-INIZCTEOSA-N 426.525 0.979 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1748808707 GJWHNJMMJIJAIP-HNNXBMFYSA-N 441.517 0.757 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1748818331 YXAYCOFHBUSGRQ-SJORKVTESA-N 449.577 0.715 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1760225071 GTPMXFMDPDGCML-MRXNPFEDSA-N 447.565 0.628 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1760357828 NXDAOZMOWWDUIH-HZPDHXFCSA-N 426.543 0.942 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@H]2C(=O)NCC#CCN1CCCC1 1850996399 UTBQQKJRLARNCF-INIZCTEOSA-N 425.551 0.484 30 10 ICEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(O)CC2)cc1=O 1870561651 WREKQKUPNIFVGA-UHFFFAOYSA-N 445.541 0.707 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403928 JBQLPMNOHOBSDS-GHMZBOCLSA-N 440.331 0.568 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2255881082 PYSJDFLZHIVCNS-UHFFFAOYSA-N 436.322 0.312 30 10 ICEE C#CCn1ncc(NCC(CO)(CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2270657309 ODHKDASUYLTBLH-UHFFFAOYSA-N 431.287 0.299 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)CC1 22818801 KTIIXANWIACXMF-UHFFFAOYSA-N 445.539 0.597 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 619510166 WJVDFCBGBYSRIX-RBUKOAKNSA-N 447.561 0.270 30 10 ICEE C#CCN(C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)[C@@H]1CCS(=O)(=O)C1 731473163 RCPPYEUFTMRLGX-QGZVFWFLSA-N 427.530 0.826 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1OCCN1CCOCC1 732454769 BRHSGEBFKVIPQG-QZQOTICOSA-N 443.504 0.723 30 10 ICEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC1 732937986 SYKXNUJUHYSAGW-AEFFLSMTSA-N 433.490 0.947 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 733258378 ZFAWOBZLDFGAKD-OAQYLSRUSA-N 433.512 0.316 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)N3CCOC[C@H]3C3CC3)C2=O)cc1 766106389 ZNLOOZBCVUTYSM-MSOLQXFVSA-N 440.456 0.944 30 10 ICEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)o1 1084106535 RKWKBRHMVTZOLU-UHFFFAOYSA-N 434.486 0.448 30 10 ICEE N#Cc1ccc(C2(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCOCC2)cc1 1132134904 ZQJAFQIZMABGNB-QGZVFWFLSA-N 444.513 0.846 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1286274437 NRKQCBXOFYXRFD-KGLIPLIRSA-N 439.563 0.798 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1286313490 AXPBEIZSGYVCGG-CQSZACIVSA-N 431.584 0.705 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286346763 BOAKTKUOASQHQM-GOSISDBHSA-N 449.581 0.969 30 10 ICEE COCCOc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1298693541 PODHHTOJNQPRHA-UHFFFAOYSA-N 433.490 0.637 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300499817 XJMDORILUKGTBN-ZWKOTPCHSA-N 433.534 0.552 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1300630581 FEWJJKZSZBRTES-SFHVURJKSA-N 449.533 0.833 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1301424924 PRJWCEVLIDLXFF-AWEZNQCLSA-N 432.568 0.396 30 10 ICEE C#CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCN(C)CC1 1304000060 CNOAXOOAMNVJLG-KRWDZBQOSA-N 427.567 0.967 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1359027086 VCYQKGZIHWDELY-UHFFFAOYSA-N 433.534 0.897 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)CC1 1359029261 SHUKIMBZQRKSER-AWEZNQCLSA-N 440.961 0.194 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1359103935 VRJMDLSDKUGNSV-UTKZUKDTSA-N 446.552 0.677 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1360247777 GJZMKICXXWOTIF-GOSISDBHSA-N 432.573 0.419 30 10 ICEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)cnc21 1439728563 XJVANWRICVZJQY-UHFFFAOYSA-N 436.266 0.757 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(NCCN2CCOCC2)c(F)c1 1464925548 OIKJCHQDAWHESQ-VZCXRCSSSA-N 431.468 0.826 30 10 ICEE Cn1cc([C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CCN2)cn1 1470879297 FXKHTMMVSHHSEO-HXUWFJFHSA-N 442.545 0.866 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1507868226 FXCNZHPVXFWYBR-CQSZACIVSA-N 446.961 0.326 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508078451 AVRWUOCVRURZLV-IBGZPJMESA-N 437.548 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1508139553 CWTMEUCGOKMGCW-OAHLLOKOSA-N 438.554 0.279 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)C1 1508144784 GWTVMBSPBSWTAD-UHFFFAOYSA-N 425.461 0.684 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1COCCO1 1519285707 SDSQUUWOFCSSPN-YOEHRIQHSA-N 444.492 0.952 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539350161 CPQUICZMVKGPFM-INIZCTEOSA-N 444.517 0.796 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539706869 VHEZDUSOMZIBFR-LSDHHAIUSA-N 442.542 0.464 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540864367 XQADRNJKYZXLGB-LBPRGKRZSA-N 449.313 0.552 30 10 ICEE CNC(=O)CN1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1543015651 SXBKEIMGADADHQ-KRWDZBQOSA-N 426.477 0.090 30 10 ICEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1587822926 GIIYAEIOINJCEY-KRWDZBQOSA-N 431.518 0.713 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1593696773 XTHNRWPWTYGXNJ-LSDHHAIUSA-N 444.558 0.758 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1595506699 JRGWWTHDYVGZEH-INIZCTEOSA-N 442.520 0.785 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1619912354 AHMIHFHNKRWLMX-INIZCTEOSA-N 434.522 0.999 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 1627014703 AYVWTFILYTVPGR-UHFFFAOYSA-N 428.424 0.817 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 1631254050 IWMYXGJMPLXOLG-KBPBESRZSA-N 444.506 0.931 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN(C)C)CC2)cc1 1643409238 ACTDOLGNAKZQOZ-UHFFFAOYSA-N 435.546 0.945 30 10 ICEE C#CCNS(=O)(=O)N1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 1654025716 QADZGGGVUGFYER-MRXNPFEDSA-N 441.351 0.788 30 10 ICEE C#CC1(O)CN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1660508249 QONWZJGBYRIRLA-UHFFFAOYSA-N 425.489 0.248 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1690206634 WFYBXSYIMJXUKD-LZQZEXGQSA-N 425.555 0.764 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1690345923 HDLRQAWWQORZJP-QWHCGFSZSA-N 432.934 0.078 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC(C)C)CC1 1690411069 DLCKLZNAMSNYKQ-INIZCTEOSA-N 445.611 0.910 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690659677 ZRENBZHEIPZARV-UHFFFAOYSA-N 437.526 0.344 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705932585 WAKWMURKOFNQRX-AWEZNQCLSA-N 427.552 0.508 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706074899 GPGNTHVUIMXAKF-QLFBSQMISA-N 444.583 0.200 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1722479421 ICYGOPDZAURPDW-QWRGUYRKSA-N 435.348 0.499 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740622744 HWSDVGVMUKBGJX-RCCFBDPRSA-N 448.593 0.730 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740627771 SINNYVGMMVWLOI-HOCLYGCPSA-N 435.506 0.591 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](COC)OC)CC1 1740838976 DBIMUFUTUKSUFL-DLBZAZTESA-N 443.570 0.675 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740978875 DKVDFTSPPFZVOV-MDZRGWNJSA-N 426.539 0.503 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740992730 MLZREIJWADTBBK-HXUWFJFHSA-N 446.533 0.896 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1748991177 RSKSNLGJGONRLT-CVEARBPZSA-N 431.541 0.898 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CC1 1749303459 KNSSYBPONXMGJZ-ZDUSSCGKSA-N 448.496 0.149 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749670180 RZOCTOJSPCRKHR-QGZVFWFLSA-N 440.504 0.752 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1749734998 PCPUHLGOHXZVOS-HNNXBMFYSA-N 449.599 0.447 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760190443 WLSSMUNLAMKXFD-FXAWDEMLSA-N 433.534 0.754 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NC2CCCCC2)CC1 1760252261 ORQZUHJNBFGGEK-UHFFFAOYSA-N 427.553 0.718 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C)CC1 1760265756 INXCMYFWHINSMU-VGOFRKELSA-N 432.569 0.846 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2247904681 PKNSZRFXDYBLGA-STQMWFEESA-N 442.347 0.663 30 10 ICEE Cn1ncc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255541516 CRVJUSBOGSJTBZ-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE CON(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255659307 QGIHPMALEWTDNY-UHFFFAOYSA-N 437.306 0.737 30 10 ICEE Cn1ncc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267492513 BTWOAWTWTXGTTO-SFHVURJKSA-N 439.369 0.923 30 10 ICEE Cn1c(=O)c2c(nc(N/N=C/c3cccnc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 33415043 LKKLQQXHMNUWET-UPVZUOOXSA-N 449.471 0.715 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC#Cc3ccccc3)cc2)CC1 490176353 NNJBQVMUYXZHDM-UHFFFAOYSA-N 440.525 0.729 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 603923174 UAWCQYAYCXCCRE-UHFFFAOYSA-N 432.933 0.144 30 10 ICEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 729673200 HXIKCKPSGGYSTF-UHFFFAOYSA-N 446.550 0.835 30 10 ICEE CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2O1 732706351 NDOHPNXONXCJLJ-APWZRJJASA-N 425.489 0.506 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 774743930 HVFVYPLUJMMWRQ-AWEZNQCLSA-N 439.964 0.696 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780943190 BQRNGAAYKBPSJU-HXUWFJFHSA-N 428.514 0.844 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cn1 794580554 XIUUHEPTGCLZMJ-IAGOWNOFSA-N 440.525 0.885 30 10 ICEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 799253084 OEFMGFNLALDTSG-LPHOPBHVSA-N 425.489 0.742 30 10 ICEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805875614 ZAGKDHLHFXUCIA-WMLDXEAASA-N 438.481 0.912 30 10 ICEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1136233241 MCVRVYURASQQJR-VURMDHGXSA-N 431.470 0.959 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1154958634 HRKZNTKKHKOMME-HKUYNNGSSA-N 434.562 0.430 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1286297090 UTNWHIDAKAFIOA-HIFRSBDPSA-N 449.562 0.826 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286349436 JDFRBGRZNRSDMA-IRXDYDNUSA-N 435.550 0.421 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1288511416 XUVGRLLVCNBIBH-DCOQFNDQSA-N 426.481 0.779 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300948835 CQQVDPDKVPHTQS-HZPDHXFCSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301492665 MOXRKHCLNXDIDQ-HNNXBMFYSA-N 428.493 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC1 1310994863 XAOIANURWCCHSC-UHFFFAOYSA-N 443.942 0.814 30 10 ICEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1330173922 IFKPCECOKAAYBP-HLAUDOPJSA-N 426.539 0.812 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nncn2C)CC1 1359046410 QPJYJGILZFAOIY-UHFFFAOYSA-N 439.549 0.776 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505336567 PCFIGGDNIGNMKY-STGLLQLASA-N 441.517 0.768 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507637681 LZZFZIAKMHFYIM-RXAIFQJESA-N 428.580 0.743 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)C2CC2)CC1 1507740586 VMGFHWARJGQNIA-UHFFFAOYSA-N 435.532 0.756 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1508091883 PLJDCVLDZQAPBD-HZPDHXFCSA-N 444.540 0.913 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540869380 KURNBZCYORSEGZ-HNNXBMFYSA-N 444.927 0.906 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540874925 WEPMJHRUPXHODI-SFHVURJKSA-N 439.524 0.753 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1547259572 KOSQGAMMTRWRCV-QFIPXVFZSA-N 437.504 0.971 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1588162040 GYFCABYBRXAHKT-UHFFFAOYSA-N 434.547 0.234 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 1588199252 KXLYUYJQHHBLFN-INIZCTEOSA-N 434.518 0.050 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COCCO2)CC1 1588885819 ZLAZAUGAOSWNHN-GOSISDBHSA-N 446.552 0.578 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594013314 FFSQHNDGSNGBCL-OLZOCXBDSA-N 425.515 0.033 30 10 ICEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1613342275 GTEDKIXUPFPMON-HUUCEWRRSA-N 428.584 0.899 30 10 ICEE Cn1[nH]c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1=N 1617365497 STNHOCCWPCQSTI-KRWDZBQOSA-N 443.533 0.864 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1620356309 WGUQQFLBTGWEHE-GDBMZVCRSA-N 434.451 0.820 30 10 ICEE C=CCCn1cc(CNc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)nn1 1651537133 FSXXYGBFQNBTJN-HNNXBMFYSA-N 425.536 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N3CCC(OC)CC3)CCCC2)CC1 1679308794 KYWFYASMQJPQAB-UHFFFAOYSA-N 441.598 0.205 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)CC1 1683795559 ORXGPMIDFOIZMJ-UHFFFAOYSA-N 443.570 0.476 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 1686239306 GFIYHXWZXMRYFR-QGZVFWFLSA-N 434.522 0.088 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690658845 BNDMJIBTMSZLLR-GJZGRUSLSA-N 438.492 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690715337 JCOFBRDVCFJTMB-APWZRJJASA-N 438.598 0.566 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1705716219 CUAYVDJKFNNLOD-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722318224 NHIVCJNBPRHMTO-UHFFFAOYSA-N 436.582 0.970 30 10 ICEE C#CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722340846 KCUDNYIUMCZSPK-LJQANCHMSA-N 425.555 0.815 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722690548 KUJXALJKHOCDJB-OAHLLOKOSA-N 435.492 0.955 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1722727754 LAJLLJKEJXBGKD-UONOGXRCSA-N 434.609 0.723 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729671475 LNGQXLAEMXNEMQ-WPZDVLLZSA-N 443.508 0.618 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620766 XTLBQQNLSLVPAX-YLJYHZDGSA-N 440.566 0.982 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCC3)C1 1740973477 YCMFROJAHJPPKV-KGLIPLIRSA-N 436.542 0.256 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)C1 1740982817 XHVNBTALBZISAN-FRQCXROJSA-N 426.539 0.767 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)CC1 1748972631 MGGLUMQPPQBCNZ-AWEZNQCLSA-N 438.504 0.970 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)CC1 1748979191 XNMLLVXXXNREGU-YADHBBJMSA-N 433.553 0.879 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)C1 1749713385 SQBUPERCVUYXBS-DOTOQJQBSA-N 435.554 0.723 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 1760389963 XQXPAVBPPTWNJY-HNAYVOBHSA-N 438.554 0.246 30 10 ICEE C=CCNC(=O)Cn1c(N(C)CCC(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528337 ZQYYKMGMAKAJRI-GASCZTMLSA-N 449.556 0.923 30 10 ICEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(CCC#N)CC2=O)cc1 1856043243 AAKKHYHUZBTXSO-SFHVURJKSA-N 434.518 0.823 30 10 ICEE C=CCNC(=O)NC(=O)C[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882608789 CDZGFIXLLKJLCS-MMEWPQADSA-N 425.463 0.517 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)[C@@H]1c1ccc(C#N)cc1 1889307440 CKBNZWJNTNWEJZ-LAQRGFTBSA-N 426.498 0.683 30 10 ICEE C=CC[C@H](O)[C@@H]1CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906290 YFSYPWISRIJXKD-ULQDDVLXSA-N 426.491 0.796 30 10 ICEE Cc1nn(C)c(N2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)c1C#N 472200463 YLZPBQVKMDPMCO-UHFFFAOYSA-N 428.518 0.577 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 549693058 ZXEFNMGXMVHUGN-LSDHHAIUSA-N 427.527 0.577 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 558918278 NUZVHUCENRITFX-UHFFFAOYSA-N 427.548 0.791 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 603989497 AJGVSGAXKITWBQ-HNNXBMFYSA-N 439.493 0.623 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 604180035 VRKLZCRBQQXXIY-MRXNPFEDSA-N 437.566 0.627 30 10 ICEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 727414769 BFFGZHZGJMVKNZ-UHFFFAOYSA-N 442.541 0.397 30 10 ICEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 733673050 NGAQNGKAXGFGTH-UHFFFAOYSA-N 436.534 0.632 30 10 ICEE C#CCN(C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 802529138 RFUOIBBJKVUIGA-JKSUJKDBSA-N 427.548 0.575 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1286379741 BRDABGTWJVBQLK-DNVCBOLYSA-N 425.555 0.594 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1286462774 VNXKSLBYKRWRJM-UHFFFAOYSA-N 437.504 0.803 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1286787583 WWHLIKYZXINTOY-UHFFFAOYSA-N 428.541 0.832 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286821688 SECPGJJZCRIEIJ-INIZCTEOSA-N 439.563 0.488 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1299740602 DIKPMUGDUFWKDZ-QZQOTICOSA-N 446.529 0.450 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300501892 OBLHJPWZWSJPCQ-INIZCTEOSA-N 431.518 0.880 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301475529 VIESGMYUMMEFOI-UHFFFAOYSA-N 438.554 0.220 30 10 ICEE C=CCn1cc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)nn1 1309602543 AECUCRHMLBONCH-GOSISDBHSA-N 435.506 0.921 30 10 ICEE COCCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1316047551 VLVUBADKYHNWOZ-CZIZESTLSA-N 445.524 0.482 30 10 ICEE CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1359600897 HBPNMHDRSGYDRD-GUYCJALGSA-N 430.506 0.214 30 10 ICEE C#CC1(F)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1471607186 QBMUWEMPUAUEJH-CYBMUJFWSA-N 435.399 0.802 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCNS(C)(=O)=O)CC2)c1C#N 1492726907 AFVHNQSNVGGPRK-UHFFFAOYSA-N 435.558 0.191 30 10 ICEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1504010229 JMHKWTZRQREOKN-ZIAGYGMSSA-N 440.451 0.789 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1517576656 LLNURPLTDLFRGE-ZPHPHTNESA-N 427.465 0.945 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1521114627 HYIOZIIJYMSIGB-CABCVRRESA-N 427.552 0.355 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1535769445 XGCXKEFLOAHEEQ-UHFFFAOYSA-N 425.463 0.245 30 10 ICEE CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1539117595 AIVZHFWQQFMDTI-LADRPBIPSA-N 439.559 0.290 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1539179957 UPQAMRZTJQXHNQ-IBGZPJMESA-N 446.577 0.790 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1540901687 MCHJIMDQQIHANT-UHFFFAOYSA-N 435.554 0.727 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1542978227 KIEBJSJTLYPOGN-ZCXUNETKSA-N 433.486 0.652 30 10 ICEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1547706347 KWMBXYACMAJIBR-MUGJNUQGSA-N 447.584 0.757 30 10 ICEE C[C@H](CC(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1558220978 AJKNZTLAISUWGL-KBMXLJTQSA-N 437.518 0.883 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588058851 DOQQEAIIVVCSLW-UGKGYDQZSA-N 444.557 0.955 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588060051 YMNPOHDAFRLKNW-SFHVURJKSA-N 445.520 0.937 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1588064506 JFRAKHPPUYISHZ-GBESFXJTSA-N 445.545 0.431 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1596360919 YXXCWVYFAIOTEA-CQSZACIVSA-N 444.517 0.657 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)c1cc[nH]n1 1629618231 PESUKYLJVADMEB-SFHVURJKSA-N 429.477 0.883 30 10 ICEE CCOC(=O)CON=C(C(=O)Nc1cccc2c1CCN2C(=O)COC)c1cc[nH]n1 1633672842 HSXIBNWWBUNARM-UHFFFAOYSA-N 429.433 0.868 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1659644939 QLHZKEIRRLVQMF-GFCCVEGCSA-N 447.336 0.611 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1689988924 YUYYVQNLZNRQDE-SJORKVTESA-N 445.549 0.520 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(O)(CC)CC)CC1 1690150774 UVBIYXPVKURHSN-UHFFFAOYSA-N 430.553 0.917 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1690722386 HQJPBVUKATXZAX-MRXNPFEDSA-N 437.570 0.436 30 10 ICEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705520207 LPLQINRLTQWORH-SFHVURJKSA-N 436.516 0.850 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1705730625 MKMSQTLCHYYIGN-OAHLLOKOSA-N 428.559 0.540 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1705896256 GZNJUFOXWARDMG-UHFFFAOYSA-N 428.493 0.933 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705922158 HJANZDBDZNDDIM-WBVHZDCISA-N 435.554 0.741 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC)C(=O)C1 1705936085 JRCSKIVODHYONT-INIZCTEOSA-N 425.555 0.832 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1722365524 FFRNXXHXLFZQGR-WBVHZDCISA-N 435.550 0.468 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cccn2)CC1 1722442100 YAFJCQWOXLFNKU-UHFFFAOYSA-N 438.536 0.767 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)CC1 1731185592 HRQTYCHUWLFNIS-INIZCTEOSA-N 441.579 0.745 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740620764 XTLBQQNLSLVPAX-PXNSSMCTSA-N 440.566 0.982 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741173191 IXZXSLYNOYKBFZ-ZGTROFRASA-N 429.481 0.743 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1748640183 QZEBUTHEEYLVFC-UONOGXRCSA-N 429.510 0.370 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749630369 RHOPZZQJWZZOFW-UONOGXRCSA-N 428.515 0.074 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1749712936 NHRQHQFXIYLIKU-CAOSSQGBSA-N 429.518 0.923 30 10 ICEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCS(=O)(=O)N(C)C)C2 1751862099 GQHDGWCIPRTBKM-UHFFFAOYSA-N 441.521 0.628 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1760154154 AZMYTSJKPVPFPN-CVEARBPZSA-N 425.555 0.886 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760287327 OKQVPGRXXYULRL-JYJNAYRXSA-N 428.580 0.992 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1760288404 BGCWREBUZZIGMY-QFBILLFUSA-N 438.598 0.991 30 10 ICEE CCOC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1765935401 AUDOSDGVZZDQHZ-CABCVRRESA-N 426.543 0.966 30 10 ICEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CC(C#N)C1 1962358573 NSHVAGFOSQZHED-UHFFFAOYSA-N 433.531 0.694 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2081007539 ACDMJVXKPLTAOK-QUEVPRLRSA-N 438.330 0.878 30 10 ICEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248420482 VHWLCSLDCAJYKP-JTQLQIEISA-N 442.347 0.862 30 10 ICEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 219944149 KZXYTYQFLKGWBZ-MRXNPFEDSA-N 443.485 0.663 30 10 ICEE C=CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 410068005 YRQLFZPUXMDSHX-MRXNPFEDSA-N 439.534 0.362 30 10 ICEE CN(C)c1ncc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 435541899 LLUDRFNNAHYXCT-UHFFFAOYSA-N 431.522 0.574 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 508824373 BRLGZFJCKKOXOV-QGZVFWFLSA-N 448.549 0.793 30 10 ICEE COc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 519210608 WFTXMFVROMCGGF-UHFFFAOYSA-N 430.490 0.640 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 607104768 FQIAANWGEHPFCR-UHFFFAOYSA-N 439.534 0.314 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735500621 CBHYVKQYJBCXSQ-ISLYRVAYSA-N 434.474 0.453 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 918755546 CHZZPCVLELQGTB-OAHLLOKOSA-N 428.507 0.873 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 1116951719 NOQXJOWKFPZQNT-UHFFFAOYSA-N 435.550 0.415 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1150869450 DFCKPVJAPRSGOB-ZDUSSCGKSA-N 435.419 0.886 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1286394137 HBRHTJFOFODNKH-QGZVFWFLSA-N 447.565 0.245 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286783767 KZJWQFOCOLZCOM-HZPDHXFCSA-N 440.504 0.979 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 1286824071 TVOAWJSCRQXJHZ-CYBMUJFWSA-N 431.588 0.269 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501240 ICIKXFDYVYNAMH-PKOBYXMFSA-N 435.594 0.826 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1300556123 CCVKKTBZGLSVIT-APWZRJJASA-N 438.623 0.789 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301479418 ZQQZQUTYCSAYEH-FQEVSTJZSA-N 433.513 0.530 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301509674 LPGQGZBLXVLIKP-INIZCTEOSA-N 431.541 0.444 30 10 ICEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1316069433 FUJVOBSDQZHBJW-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316348366 BISWUOFKLUAZSX-MRXNPFEDSA-N 431.522 0.420 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359040924 JOWPJEFCYYLHET-HOCLYGCPSA-N 429.525 0.746 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359048435 QTBYQRGFAYDSEB-CQSZACIVSA-N 429.506 0.243 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1359306896 UPQCZLRYPYLYAF-NVXWUHKLSA-N 433.557 0.960 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NC)CC1 1359331525 BMDWHQRTXZEQGP-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1493179670 MEGNFJIYZAYPKC-STGLLQLASA-N 436.476 0.533 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1503373845 HLZUELHSRUEMTH-CVEARBPZSA-N 426.433 0.931 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1507634020 WTTGMTUMJBQZBC-MOPGFXCFSA-N 430.530 0.949 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1507791008 GPFQGOZKAORYCS-MJGOQNOKSA-N 446.552 0.790 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508149391 UBVOEJLVANHBEZ-HNNXBMFYSA-N 434.584 0.819 30 10 ICEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538540110 RTLOGJIQQICZCC-LPHOPBHVSA-N 439.559 0.915 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1540072473 LMXOKGMKQBCECK-QGZVFWFLSA-N 448.549 0.641 30 10 ICEE CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1541083626 OSGDPSWZGLWWHP-CQSZACIVSA-N 433.538 0.923 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1587640161 PJJAYZOSBRBOQB-ZBFHGGJFSA-N 438.554 0.128 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCC(=O)N2)n1 1588722594 DKEADEIQHIBEFC-MRXNPFEDSA-N 435.492 0.496 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCOCCS(C)(=O)=O)CC1 1588930003 KVVGPUDRFZHMPF-UHFFFAOYSA-N 437.566 0.573 30 10 ICEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1627136721 NHDNHPRHIOAREE-KBXCAEBGSA-N 425.532 0.774 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1 1629484746 CPVKIIIRDPZRCP-UHFFFAOYSA-N 437.481 0.801 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccncc2)c1 1642009755 DCAHOUJLGYFQCL-MSOLQXFVSA-N 431.470 0.388 30 10 ICEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1652925939 MXFBWJORSMCWDY-UHFFFAOYSA-N 435.502 0.531 30 10 ICEE COC(=O)c1cc(C2CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)[nH]n1 1653474581 DHUXAHISRQFFRW-NSHDSACASA-N 431.474 0.639 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC1CCN(c2ccccc2C#N)CC1 1684369054 BPFGTYXVKBYLMG-UHFFFAOYSA-N 427.552 0.884 30 10 ICEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1 1690587054 YDMNEJCYUXLJAA-UHFFFAOYSA-N 443.537 0.946 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1705563000 ORUSYRVGCWWCSY-OAHLLOKOSA-N 446.924 0.912 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564362 BWVLBUJVWRZWIJ-IAGOWNOFSA-N 437.566 0.571 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1705581286 ZTIHELWRULFXIZ-NRFANRHFSA-N 439.545 0.789 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1705635001 OOLPEBGWIIXHPP-QHCPKHFHSA-N 438.532 0.833 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705893604 BQTXNEWRHTUDNT-UHFFFAOYSA-N 430.431 0.710 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1705897714 RSKYLZSQXXMXME-RDTXWAMCSA-N 428.559 0.586 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722332907 PWDHNCXPQWYILJ-HNNXBMFYSA-N 428.580 0.997 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CC2)CC1 1722441457 QOSBDHJLSXQKLB-PMERELPUSA-N 434.566 0.293 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740621906 QBBKJIGSPQRQIF-QGZVFWFLSA-N 428.522 0.570 30 10 ICEE CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1747615928 WENHAMZUWGZVGX-JFVSRZABSA-N 436.538 0.725 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1748863940 LFFROWPIQRRYMZ-QGZVFWFLSA-N 436.582 0.198 30 10 ICEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749600943 SUHAWZQVTLQTPA-SFHVURJKSA-N 441.579 0.822 30 10 ICEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750207692 STHXYUMLFSUSIN-UHFFFAOYSA-N 432.506 0.752 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760307349 PTVWEWYVJAYBGD-WBMJQRKESA-N 444.355 0.948 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760358573 WRKLINRCJCDARO-QGZVFWFLSA-N 446.552 0.692 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1=O 1767509232 ZFZLITPKVKMWMO-JOCHJYFZSA-N 437.504 0.909 30 10 ICEE CCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1767699689 IPEYAPIJJSVGLL-QFPXGYFVSA-N 445.524 0.948 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCOCC(F)F)c1 1770735875 QRIARTHQBQMGRT-OAHLLOKOSA-N 445.430 0.245 30 10 ICEE Cn1ccc2cc(C(=O)N3CCN([C@@H]4CCN(S(=O)(=O)CC#N)C4)CC3=O)ccc21 1856849588 GZZNJVLRBZDELN-QGZVFWFLSA-N 429.502 0.390 30 10 ICEE N#C[C@H]1CC12CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 1892121833 RAOKWYYQNKKZTG-QGZVFWFLSA-N 446.529 0.590 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875106 DLFFHPNSKROVRW-KBPBESRZSA-N 448.329 0.876 30 10 ICEE CC(C)N(C[C@@H]1CCN(C(=O)[C@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208091275 RDTSHUQSOUZTAU-NVXWUHKLSA-N 434.346 0.192 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 516697696 JKIXSPPCKMKYLO-UHFFFAOYSA-N 440.591 0.983 30 10 ICEE CC1(C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 538536704 AIDZUEIMFLEKND-UHFFFAOYSA-N 428.536 0.220 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)O)cc1 546904445 ZZSQREIPZQUVKQ-JXFKEZNVSA-N 443.529 0.638 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCC(=O)OC)c2=O)cn1 732563410 YETHOKKKVUZZRV-UHFFFAOYSA-N 428.514 0.952 30 10 ICEE N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732677322 YGYKICVDTHGSNT-GOSISDBHSA-N 433.534 0.589 30 10 ICEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC1CC1 741095481 FQNTYZQMEUWLAS-QGZVFWFLSA-N 431.518 0.573 30 10 ICEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O 795465162 JFHJINKZSMITJN-TZMCWYRMSA-N 431.467 0.114 30 10 ICEE C#CCN=c1nc(N2CCO[C@@]3(CCCOC3)C2)[nH]c(N2CCO[C@@]3(CCCOC3)C2)n1 804767769 FUJXHWGCOSUNLK-VXKWHMMOSA-N 444.536 0.110 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 807109262 DUWLRMYFRJQHEP-RRFJBIMHSA-N 444.558 0.315 30 10 ICEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 913053412 PKZCCKIDPTYUTM-IBGZPJMESA-N 449.577 0.825 30 10 ICEE N#CCCN(CCN1CCOCC1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1136458188 WGXCCIJHRITXMW-HNNXBMFYSA-N 426.564 0.662 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(CC)CC 1286296448 OTQMLLHVRFRMCU-IRXDYDNUSA-N 426.587 0.801 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1288305334 NVWOOMCZDZGEFK-ROUUACIJSA-N 444.533 0.700 30 10 ICEE C=CCOC[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1297029757 NAKPQCIFBHFQDZ-UONOGXRCSA-N 434.511 0.271 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 1302921847 VZZBIAXCHZWPBI-AWEZNQCLSA-N 442.538 0.498 30 10 ICEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CC2)nc1 1302992262 VGVUZXARKGIWKE-SFHVURJKSA-N 427.509 0.774 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1303453293 DIWCXOKMTRRWLY-INIZCTEOSA-N 425.493 0.955 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCO[C@@H]1CCOC1 1360672459 RPXBRFBDQQSJBJ-GDBMZVCRSA-N 426.543 0.824 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1503283572 VKWFKKRSISFQET-FQEVSTJZSA-N 443.533 0.472 30 10 ICEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507617829 CCUKEYKYINCEEO-UHFFFAOYSA-N 434.504 0.473 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CCO1 1517535894 HTYUBHBKOHQXIA-QYZOEREBSA-N 440.504 0.819 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 1539447950 ZPGPOSOFLDFGHZ-GOSISDBHSA-N 442.545 0.083 30 10 ICEE N#C[C@@]1(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCCOC1 1539740886 SOKSIZOATKYGSQ-FQEVSTJZSA-N 449.533 0.071 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F)C1CC1 1540107885 DZVZTTBPUGGJPK-CYBMUJFWSA-N 448.496 0.147 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1540869072 ANRRWBINEKFKRB-CQSZACIVSA-N 434.460 0.223 30 10 ICEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1560098866 VJQJTXXMHRXUMS-UHFFFAOYSA-N 447.557 0.572 30 10 ICEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)CC1 1569560764 MGTMTOGFHDKZGK-OAHLLOKOSA-N 430.914 0.386 30 10 ICEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1584311272 KDUALHYODWWMRI-UHFFFAOYSA-N 442.563 0.482 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1588046037 WBVNHTNLPQYWGU-KKSFZXQISA-N 447.536 0.778 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1589068975 GRXFOTFYZWHZGD-CQSZACIVSA-N 441.579 0.017 30 10 ICEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 1611084035 AQCALYPZUOXOCT-QXAKKESOSA-N 437.518 0.914 30 10 ICEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1620610950 HGEKUBPJTIJOBK-XJABCFGWSA-N 446.573 0.394 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)s1 1625085704 DURJFZOVWLJFIB-YVORESIASA-N 442.588 0.821 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 1632960622 LAPNCCYFRITBEE-GFCCVEGCSA-N 430.870 0.627 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 1632960633 LAPNCCYFRITBEE-LBPRGKRZSA-N 430.870 0.627 30 10 ICEE C=CCc1ccc(OCC(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)c(OC)c1 1633414484 OVNOYLXBYJLAPB-GJZGRUSLSA-N 431.445 0.497 30 10 ICEE C[C@@H](CC(=O)N1CCN(CCc2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636359619 VRYODNDBSUURLU-INIZCTEOSA-N 442.545 0.681 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOC)C1=O 1647749562 GSDMDQZLHQHUDC-CQSZACIVSA-N 438.481 0.448 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1670892796 CVRKOFJUSMSVBT-INIZCTEOSA-N 446.547 0.802 30 10 ICEE C#C[C@@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C1CCOCC1 1674597560 WWTDLTLCSMJOAJ-WOJBJXKFSA-N 442.564 0.980 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1689966342 PJKFLSLMMJWGCN-QGZVFWFLSA-N 445.545 0.765 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1690622217 KWWOLMPDALYBMD-IRXDYDNUSA-N 441.554 0.943 30 10 ICEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1705554505 XMVDHLNZSNUVLW-UHFFFAOYSA-N 428.518 0.526 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705566652 PWUKBWFZICGWOZ-BBWFWOEESA-N 436.582 0.586 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1705612473 HKQBKIMGIRJFQK-CYBMUJFWSA-N 439.460 0.997 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cc(CO)nn2)CC1 1705640885 JOWFPOIQOXIGQM-UHFFFAOYSA-N 438.511 0.937 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1710467961 PZGNTHRKRJQDAF-MOPGFXCFSA-N 440.570 1.000 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722700290 DLPOYKCOSJBZKI-INIZCTEOSA-N 438.492 0.039 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1729223595 ZLYPUNYAFTZURG-FQEVSTJZSA-N 443.533 0.615 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740623865 BYDLKGSRTWCOES-QFBILLFUSA-N 436.559 0.709 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1740960093 KYKZCMGLPCSMRO-QGZVFWFLSA-N 428.518 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740993390 ZSJJVLRBNPKOPE-GOSISDBHSA-N 448.549 0.206 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 1748935519 VYKLWCMISTTXDN-GOSISDBHSA-N 437.547 0.279 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCOC2)c1 1760128153 ABSMJVBQZOXUGF-HTAPYJJXSA-N 438.488 0.437 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1760618017 DGQGVTSZOBPWFV-UHFFFAOYSA-N 437.504 0.923 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1=O 1769054576 UFPVUDDHCJFRFE-FQEVSTJZSA-N 443.533 0.377 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4ncccc4c3=O)CC2)CC1 1889470834 BVWUPBXQNFAPGY-UHFFFAOYSA-N 438.532 0.050 30 10 ICEE Cn1cc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267500258 GBRWYEHPWXIZBE-SFHVURJKSA-N 439.369 0.923 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H](O)CO)c(Cl)c2)OC1(C)C 2282510278 WSHICIWHSGZEKQ-JTQLQIEISA-N 426.127 0.924 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)n1 2352402329 SPMITRJCEXBLGQ-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCC(=O)NC3=O)nnc12 435992782 IDXWJYYZMMQZTC-LBPRGKRZSA-N 426.458 0.244 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 502373062 GOLRKWJKAVUAGX-GOSISDBHSA-N 427.548 0.458 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 568550015 ZXYVYGUMJDULBF-NRFANRHFSA-N 429.565 0.998 30 10 ICEE N#Cc1ncn(CCNC(=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 569398593 GSCHLEHDRGOUFF-YEYGNOCGSA-N 442.479 0.745 30 10 ICEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CCN1CCCS1(=O)=O 610604581 XQUSHDOHAWTMSI-UHFFFAOYSA-N 425.555 0.919 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730143943 FZUZWQSDSIWKGI-SFHVURJKSA-N 441.557 0.946 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 731851114 HONRSBFWBWHZSD-YPKPFQOOSA-N 432.380 0.992 30 10 ICEE C[C@@H](CC(=O)N1CCC(C(=O)NCCN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742672585 RNVLRNVOIMDKCV-HNNXBMFYSA-N 449.577 0.420 30 10 ICEE CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 743908360 DAMPYHCKJJQVPQ-HXUWFJFHSA-N 440.548 0.450 30 10 ICEE CCn1nc2c(cc1=O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 752742703 BWOCVLNNVOPSGU-UHFFFAOYSA-N 429.502 0.667 30 10 ICEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 771546218 DYJQOQNFANUZND-AYAKEVCGSA-N 428.522 0.359 30 10 ICEE C#CCN(C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 774197576 RDCMMHDMYCQASR-IBGZPJMESA-N 432.546 0.687 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 807109261 DUWLRMYFRJQHEP-RBSFLKMASA-N 444.558 0.315 30 10 ICEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1Br 807922556 FPLWTUPYGZNNBZ-UHFFFAOYSA-N 443.323 0.897 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccccc4F)n3)n2C)n(C)c1=O 1084111520 CLQRIFXVTITOIP-UHFFFAOYSA-N 429.441 0.825 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389673 OJHSKSLLGAIBMZ-YESZJQIVSA-N 434.566 0.196 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1286820766 RNCRGPDRNXMLBL-KGLIPLIRSA-N 434.609 0.723 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1288268796 HJXLKRJLFFIKTE-UHFFFAOYSA-N 431.522 0.423 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1300488741 VOSQTYFMPUTFSY-MRXNPFEDSA-N 434.591 0.949 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300495323 GDFACMQLTSTASW-WMZOPIPTSA-N 447.565 0.560 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1300699878 IUVLLUZKIOATEJ-GUDVDZBRSA-N 433.578 0.917 30 10 ICEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1302124835 VRCPYIWWMYIRJM-BEFAXECRSA-N 436.488 0.883 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1359035762 DCCFMEMIKLTEDS-HNNXBMFYSA-N 431.509 0.607 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359304482 ZAKVVZYYCRYKEG-ZDUSSCGKSA-N 445.505 0.213 30 10 ICEE COCCOC1(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOCC1 1449799736 OBHKAUUQTCYXPJ-UHFFFAOYSA-N 425.507 0.739 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1=O 1504910190 GYCSYCIQJUJANU-JOCHJYFZSA-N 439.520 0.178 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2)nnc1N1CCS(=O)(=O)CC1 1505350591 GOGOTJOUCBDABK-HTXNQAPBSA-N 442.501 0.706 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507640045 OCUWNBDVPQWKOZ-KRWDZBQOSA-N 433.534 0.374 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C(=O)NC 1507953198 DSOSFGVBDNIDTN-CABCVRRESA-N 428.559 0.396 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1509682860 DSGMZCAEBVNHGS-MRXNPFEDSA-N 440.508 0.502 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1519436584 MNRPGYZEYFDERV-RLFYNMQTSA-N 444.533 0.772 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539222349 VNNGSSLIFGDFQB-HZPDHXFCSA-N 444.579 0.234 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 1542894865 PSDSOKQDUFHCJV-UHFFFAOYSA-N 438.282 0.837 30 10 ICEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1558141088 ZZABBYBQQLOJCJ-AWEZNQCLSA-N 436.914 0.605 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(S(=O)(=O)NC)c1 1587662105 KSUUOINLKSTTMA-HNNXBMFYSA-N 430.534 0.815 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594783848 KEFONDLJAHFJTE-KSSFIOAISA-N 426.543 0.197 30 10 ICEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 1606788480 NSAWELZXFQVAAQ-QAPCUYQASA-N 425.468 0.923 30 10 ICEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)c1 1630033847 ASDNDOZPQACZAW-UHFFFAOYSA-N 446.529 0.874 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1 1636475690 SUFXSDPZEBFIGP-OAHLLOKOSA-N 436.559 0.373 30 10 ICEE C=CC1(CC(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1637197797 MJPIVMJPQUGPIR-ORAYPTAESA-N 430.523 0.892 30 10 ICEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1653483857 NRQVRAQVCODFQR-QGZVFWFLSA-N 433.530 0.658 30 10 ICEE COC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 1653865260 OUASLVGQANGYPP-DJIMGWMZSA-N 428.445 0.705 30 10 ICEE C[C@]1(C#N)CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 1656289301 QZXXIPBBVQMQCO-SFHVURJKSA-N 442.925 0.914 30 10 ICEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 1660664386 PRCALYLXWTZBKL-HZPDHXFCSA-N 427.548 0.328 30 10 ICEE C#C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)C1CCOCC1 1669438573 GEFDFQOHNQNWLK-INIZCTEOSA-N 427.461 0.729 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2=O)cc1 1680778799 MVALHGFJPIJRDS-MSOLQXFVSA-N 425.489 0.332 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690484776 DEBHFNUQJHGTSW-CABCVRRESA-N 426.543 0.244 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690733489 GCYUHFNFJORMHV-BFHYXJOUSA-N 428.584 0.522 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1705598194 DDHBRFUUSCCZJA-SFHVURJKSA-N 446.508 0.656 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1705628630 LWSNROZYNCSRJK-DLBZAZTESA-N 439.538 0.390 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1705662320 WBZQVNCWKNDAPV-HNNXBMFYSA-N 440.551 0.602 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705908050 GJFMIEJLDXTDOU-PKOBYXMFSA-N 447.584 0.496 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705936715 XASCCHJIUDGFMM-HUUCEWRRSA-N 447.583 0.058 30 10 ICEE CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709556226 ZHCFWHSOGQNQRD-PLGXQAJASA-N 443.508 0.761 30 10 ICEE CCN(CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1710066749 KPWGLYKYXLSWSO-SJORKVTESA-N 440.570 0.267 30 10 ICEE CN(CC1CCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1711139770 NLCBDJVGEBVVOD-QFPXGYFVSA-N 448.549 0.943 30 10 ICEE O=C1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1712919943 OSRRGFMXJKFISQ-ZPHPHTNESA-N 425.424 0.547 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722361443 NGESMJOLYHQZPG-QGZVFWFLSA-N 442.549 0.672 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1722620926 UESRWCCQLVVTIW-UHFFFAOYSA-N 426.543 0.188 30 10 ICEE CN(CC(F)(F)F)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1729389199 SORIQYQIZOLHFB-NXVVXOECSA-N 441.414 0.925 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731010093 RNFHTYDMUZSNHI-MRXNPFEDSA-N 431.522 0.420 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1740610956 PKGQHOMUXXRFPV-NSHDSACASA-N 427.474 0.933 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741129610 FYQBXAUSTSNGKN-UONOGXRCSA-N 449.537 0.883 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1748790279 IAVOQWQECMOPJX-CQSZACIVSA-N 435.535 0.438 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1748818043 UWQAEUCTSGKXEQ-IAGOWNOFSA-N 431.518 0.861 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1749508195 KUBWYGRZYZFJKB-UKRRQHHQSA-N 446.599 0.467 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760510412 WXSBHJDPGCDIJC-JKSUJKDBSA-N 437.526 0.108 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1760521147 LBFLNHIXTIXJNA-QLFBSQMISA-N 447.540 0.881 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1760522264 PDOCCIAODCZPNH-HNNXBMFYSA-N 428.559 0.396 30 10 ICEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCOCC2)CC(OCC)C1 1766428304 FZMZWPPYXLIFGE-WBTXTPOCSA-N 434.541 0.813 30 10 ICEE CS(=O)(=O)N1CCC[C@H]1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1853319231 GFDKUHHFILJWJY-MOPGFXCFSA-N 437.518 0.605 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C 511725250 SSSJFOPLNXRBOA-UHFFFAOYSA-N 426.523 0.930 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 549290001 FLBLNKDVDQHNTP-OAGGEKHMSA-N 429.543 0.427 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669816122 OQGCPMJPCIDJOL-CQSZACIVSA-N 425.559 0.801 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 732663946 IFNJTEHKLJNOBA-HNNXBMFYSA-N 431.539 0.760 30 10 ICEE C=C(COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OCC 734022261 BHWAHZMITNIVQN-UHFFFAOYSA-N 438.502 0.962 30 10 ICEE C#CC[C@@]1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 763952693 ABFQAUPLVKKTDN-QHCPKHFHSA-N 448.564 0.782 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)CC1 1175515330 XOIQJMPCGCEZEI-BHYGNILZSA-N 438.347 0.947 30 10 ICEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1n1cccn1 1251157141 VVPHPSKKQIJCHG-ARFHVFGLSA-N 427.465 0.781 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286389482 KXKQNJCKRUYEMP-HNNXBMFYSA-N 428.580 0.996 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286389570 MOOVDTWQYSGNFO-HNNXBMFYSA-N 443.533 0.408 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)CC1 1286474484 KGWBNNQWNKEAEZ-UHFFFAOYSA-N 443.462 0.958 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)[C@H](C)CC)CC1 1286490432 KWGIYSWOFQJLJD-AEFFLSMTSA-N 429.569 0.925 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1286686568 BABDOXRDEATQKA-BEFAXECRSA-N 440.570 0.669 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286820140 FQBKBPDGYCKBAX-SJORKVTESA-N 436.538 0.485 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1300710174 VKDIWDOAAUJRCU-UHFFFAOYSA-N 446.596 0.840 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1301506751 RELPBWNSCOCRMD-UHFFFAOYSA-N 433.520 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1301578208 ZOHWDJVWGNZGNP-CQSZACIVSA-N 449.533 0.875 30 10 ICEE C#CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656571 ZEDNQDRRLSNNFM-QGZVFWFLSA-N 427.567 0.967 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCOCC2)CC1 1359028002 CVVLNBOUMYRPRO-GOSISDBHSA-N 438.536 0.401 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359296208 APZGWICDSNHMPJ-KRWDZBQOSA-N 443.533 0.637 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508093129 TXBSZUSMWUWWGI-QFIPXVFZSA-N 435.488 0.747 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508093643 JEPVZERNVLDZEM-SJLPKXTDSA-N 433.557 0.106 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)C1 1508123462 IJUDBXBAPZGVRH-BBWFWOEESA-N 441.554 0.571 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508239546 XBLSETDPHUYZJL-STQMWFEESA-N 435.510 0.458 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512497922 ACNIBSINDKKDIK-MVZUJROASA-N 443.508 0.542 30 10 ICEE Cn1cc([C@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1538539888 OHKJVWFHQONXSG-MQJTVSLUSA-N 433.534 0.505 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 1540901057 RIQYVBTZHUTTSN-UHFFFAOYSA-N 430.538 0.934 30 10 ICEE C=CCNC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1546179196 BZKZACWQJOMLJX-KRWDZBQOSA-N 437.562 0.936 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c1 1554499551 AKSAWAGCFMHTMM-CZUORRHYSA-N 431.522 0.924 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588035920 ZLCMWHILHBQLTD-HZPDHXFCSA-N 437.522 0.974 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CC)CC1 1588742376 REEJJIPTSAXYRN-MSOLQXFVSA-N 437.614 0.518 30 10 ICEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1630030769 VWRZOYFYQFMMLC-GFCCVEGCSA-N 427.408 0.829 30 10 ICEE C#CC[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(=O)OC 1638826920 ORLRDCWEBVMYRP-HNNXBMFYSA-N 449.485 0.450 30 10 ICEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1641574932 UEHJZDHBAKYTEC-XNJGSVPQSA-N 443.953 0.845 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1=O 1644087513 NORMHSRVWLUDSE-UHFFFAOYSA-N 447.495 0.372 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1648500034 GCCQDAHUYFKPKY-YESZJQIVSA-N 445.582 0.538 30 10 ICEE C#CC1(O)CN(S(=O)(=O)c2cc(C)c(I)c(C(=O)OC)c2)C1 1672000323 FSSBMGGPCIBXLK-UHFFFAOYSA-N 435.239 0.755 30 10 ICEE COCC(COC)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672352095 BZNNPVUJJAPFFN-HXUWFJFHSA-N 429.521 0.648 30 10 ICEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C1CCCC1 1682366201 AOAIIKYNBRTESL-GOSISDBHSA-N 449.581 0.740 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689987807 CPXPFRALLXWELQ-BBWFWOEESA-N 434.566 0.340 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC)CC1 1690111578 FRFMTOLVIVKFNQ-INIZCTEOSA-N 447.565 0.486 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1690678408 VMWDZHVTOICTBI-JTSKRJEESA-N 448.568 0.926 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)C1 1690699853 KBTLYMPRIOHPMA-RIGHFQGKSA-N 440.566 0.892 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690723723 ZFRYOPYXHAWGTB-KRWDZBQOSA-N 448.549 0.591 30 10 ICEE CC(C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691806713 TVDONPQDNLJNLX-BONDDZEJSA-N 448.549 0.943 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1697022086 CPPDMYQTLUGKKO-CYBMUJFWSA-N 440.913 0.885 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1698246620 WWBUGGQVHLVXAK-ZUEVXXBESA-N 432.460 0.597 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705516413 AOMMCMCQRJCQGI-HNNXBMFYSA-N 443.595 0.502 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565769 VXZSBMFYNQDIMV-ROUUACIJSA-N 446.577 0.631 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722324753 XPTQJINHGAFBPF-QGZVFWFLSA-N 448.597 0.748 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(N)=O)CC1 1722728864 ZBKRFYUEGQAGDA-INIZCTEOSA-N 425.555 0.865 30 10 ICEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729917711 DTAVQFGYVXDSQX-UGOXKZBKSA-N 443.508 0.761 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1740680644 JZUMXYLKQQPGSS-UHFFFAOYSA-N 448.549 0.370 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740942834 MJNOKKBFOZEUTG-ZDUSSCGKSA-N 434.588 0.325 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1740964743 HOALCVODXZBUQL-ZLGUVYLKSA-N 435.525 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1740987710 XUYLOJNIOXAPBR-RHSMWYFYSA-N 447.583 0.106 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749022364 ISJBSHALMSMHPL-DYVFJYSZSA-N 426.568 0.114 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1760138231 UIYXAOYGZRDDOQ-JKSUJKDBSA-N 438.554 0.129 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1760182544 KLMIWCZPQJGEDB-RDJZCZTQSA-N 435.554 0.592 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1760205736 ILFROFILYJASEC-OALUTQOASA-N 432.594 0.279 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2Cc3ccccc3O2)CC1 1760254338 VDFMGAAYAREXSB-FUHWJXTLSA-N 444.561 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760552609 UTOWNJDZWDCKGH-INIZCTEOSA-N 436.538 0.226 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1761501236 FNOAASZBOKEQDQ-HWOJOUQTSA-N 432.572 0.164 30 10 ICEE CC[C@]1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1762480716 QXCZRFSFZIAOJG-SBRPPBIPSA-N 443.508 0.761 30 10 ICEE CCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764873435 SUCNHOBVPOWRGC-CVTQAYBASA-N 427.509 0.958 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770728780 VXIQXLUCQIVDJN-HQSFBDMMSA-N 442.455 0.482 30 10 ICEE Cc1nn(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 448488812 UCEWZIZVJKKNIF-UHFFFAOYSA-N 430.490 0.380 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 519930946 VXMJWSAKTGPAIK-AWEZNQCLSA-N 435.452 0.939 30 10 ICEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 530913553 ZNVHXZKJGFUWSA-UHFFFAOYSA-N 440.481 0.965 30 10 ICEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)s1 532880644 JXAAIVCSESOVMR-UHFFFAOYSA-N 430.555 0.536 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 537306450 IEQDBOLLPYKQTH-ZDUSSCGKSA-N 433.494 0.294 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 603989564 FDTRWLUMYSFXPG-QGZVFWFLSA-N 437.521 0.805 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 729330667 CSFYYRDDZBGZIH-QRWLVFNGSA-N 433.486 0.111 30 10 ICEE C#CCN(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 749281803 WZYJCHPMBCTQIS-VQIMIIECSA-N 431.514 0.491 30 10 ICEE CC[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 758176904 DZHXXBONVMUIBH-FQEVSTJZSA-N 431.518 0.933 30 10 ICEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)CC2 758525214 JWNVXRNLASZCAY-YPMHNXCESA-N 444.435 0.875 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3C[C@@H](O)c3ccco3)CC2)o1 763661003 BCXKDLQUPIMGRV-FUHWJXTLSA-N 429.477 0.921 30 10 ICEE C#CCN=c1nc(N2CCO[C@]3(CCCOC3)C2)[nH]c(N2CCO[C@]3(CCCOC3)C2)n1 804767767 FUJXHWGCOSUNLK-FGZHOGPDSA-N 444.536 0.110 30 10 ICEE C#CCN(C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1116463004 RPQGKTDSHHQGAU-CABCVRRESA-N 440.547 0.774 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1286368603 WLTORDRDQOCAGQ-UHFFFAOYSA-N 426.506 0.958 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286475373 XYXJUKYXTOAMHT-QGZVFWFLSA-N 432.550 0.883 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286507959 DTPWFNXNWDYQTA-KFWWJZLASA-N 439.563 0.481 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286628501 CILOXUIECQPAOI-KGLIPLIRSA-N 446.961 0.326 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286789703 JQDBLQUJTTZHID-INIZCTEOSA-N 441.540 0.845 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286794018 STAXKNHPENOKJC-OAQYLSRUSA-N 432.525 0.432 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286820076 DLAYLBVUHKSEMM-QLFBSQMISA-N 434.584 0.641 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1300309287 GPDNVYMINLGXLV-CABCVRRESA-N 440.570 0.374 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1301593166 JYCUPIHLDYDCSU-UHFFFAOYSA-N 449.581 0.703 30 10 ICEE N#CCCN(CC1CC1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1303012260 AOTJLNOPBYHVGQ-HXUWFJFHSA-N 430.534 0.944 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1359025558 SIEOLJLGWPMWFL-BBWFWOEESA-N 443.545 0.835 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCN(C)C2)CC1 1359038042 INHONDPRACMFHK-NRFANRHFSA-N 443.577 0.091 30 10 ICEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359633931 ZXMYPYCDDLSZTC-GOSISDBHSA-N 442.568 0.739 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(=O)N2)c1 1507551394 XKJRXVYUFSYGMG-IAGOWNOFSA-N 435.488 0.564 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507630846 ISBICTNWRUUODL-INIZCTEOSA-N 426.506 0.452 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(=O)(=O)CC 1508079461 WSHAXTNTDJSKPH-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1508088279 RNDZENOCHOOVEE-INIZCTEOSA-N 431.541 0.664 30 10 ICEE N#C[C@@]12CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 1538540280 UARZBRLJEKRYIQ-UGSOOPFHSA-N 440.499 0.018 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539215989 MOCMFHVZKSLAGC-INIZCTEOSA-N 428.522 0.396 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 1556503899 BEGJJXSOJWRSDZ-UHFFFAOYSA-N 432.525 0.593 30 10 ICEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 1565630189 UISYOWNBZVYGQM-SHQVNNEXSA-N 444.488 0.784 30 10 ICEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1588157795 HNTDJJCOHJCKIF-LJQANCHMSA-N 442.501 0.626 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594812024 BOMPSJBFGYANCL-DLBZAZTESA-N 441.554 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1595799037 VXHQBYLQKULISM-CABCVRRESA-N 446.595 0.785 30 10 ICEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1628651339 SPCGHHWLBVPUNY-DKFQHHCZSA-N 433.530 0.181 30 10 ICEE C#CCCOc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1629840422 HXCZFVUGPBLXAS-SFHVURJKSA-N 433.530 0.150 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1632966826 ZWNPZBRRXZZHTQ-OAHLLOKOSA-N 427.527 0.185 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1636000099 ZUICTZGMTSWQQE-UHFFFAOYSA-N 440.481 0.580 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1689852179 BODNYIFLNOWWPB-GVDBMIGSSA-N 426.587 0.799 30 10 ICEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1689971158 PYRAGAXKLBOTJV-UHFFFAOYSA-N 435.535 0.811 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689978549 YBGWSLHFIULRLR-IXDOHACOSA-N 437.566 0.594 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1690236047 HUQFRGYEIXOTSN-QAPCUYQASA-N 434.541 0.868 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690674981 MGFJGUGJROREAV-ZDUSSCGKSA-N 431.522 0.239 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1690700660 VUNYBMCRRCQAQO-IRXDYDNUSA-N 440.566 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690731160 BIJCSRGUGVSBKY-MRXNPFEDSA-N 434.522 0.387 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1697922658 HMRZEQZVCOKHQX-SIKLNZKXSA-N 442.520 0.946 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC(=O)N1 1706619490 FJBPDEIHWIVFQF-MRXNPFEDSA-N 437.508 0.288 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1722731177 GATJTSAWVKJWSN-DNVCBOLYSA-N 441.554 0.198 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740616091 RZBGFZMDRNWMCV-OAHLLOKOSA-N 425.555 0.594 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1740710159 VTKDJMPWFIQMIA-ZDUSSCGKSA-N 436.563 0.918 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1740725380 QDNGTFJXRWIQNY-MAUKXSAKSA-N 426.612 0.929 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1740987712 XUYLOJNIOXAPBR-WMLDXEAASA-N 447.583 0.106 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1746732831 BVHGFCRCQYQLFS-UTKZUKDTSA-N 428.493 0.714 30 10 ICEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749291899 KKAHEKXGPZCJCA-RBUKOAKNSA-N 426.539 0.636 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC=CCO2)C1 1750212129 YTWCVAIQRIOOCJ-RVKKMQEKSA-N 440.501 0.398 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1760245308 YURTWNBGAZNHGV-UHFFFAOYSA-N 428.449 0.798 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760260512 VRPIJQPAEYTSNO-OALUTQOASA-N 429.569 0.341 30 10 ICEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768153561 HYXJAJISENTTJQ-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C=C[C@]1(CO)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2135110006 ARULDYFFALACNK-OALUTQOASA-N 426.466 0.590 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255825946 IILNVNKYDHBKLF-UHFFFAOYSA-N 436.318 0.668 30 10 ICEE Cn1nc(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 2267113519 UZUUHHVNPFUOCY-QWRGUYRKSA-N 443.235 0.492 30 10 ICEE Cn1nnc(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 2267270928 OZRGDRVZDRSTTI-ZSOGYDGISA-N 447.345 0.957 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2267595506 FLHWVIHXJCQWKQ-KRWDZBQOSA-N 440.357 0.318 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 27901172 RKICWICQDVPUPU-UHFFFAOYSA-N 427.549 0.459 30 10 ICEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)CC1 409648595 LBAYYWXYNYZVHT-QGZVFWFLSA-N 439.520 0.613 30 10 ICEE CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 432231493 HZEHUXDGBFTPIG-INIZCTEOSA-N 442.563 0.355 30 10 ICEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 544014051 JLAUUBGIICMVCZ-KRWDZBQOSA-N 444.517 0.533 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1 729673063 CWMPCVFPZMQASI-UHFFFAOYSA-N 446.550 0.835 30 10 ICEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)s1 752193647 KAPLESVJFXYOPR-CYBMUJFWSA-N 448.570 0.373 30 10 ICEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cn1 807940233 GFVUODMKHGRQKF-OAHLLOKOSA-N 446.537 0.418 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCOCC2)C1 820249509 OFPYRFHUYIHVIC-GOSISDBHSA-N 434.562 0.930 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1=O 919943635 MPMNAXSIZZMGAF-QGZVFWFLSA-N 440.504 0.555 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC=C)CC1 1286494382 NAOQYIQGPUDGTD-UHFFFAOYSA-N 441.561 0.902 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1286711780 PMRAXYYVSVOHQK-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286793240 ANVPDUFEUDGJMX-ZOBUZTSGSA-N 441.554 0.318 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291196060 DHCYHELCQTUVAC-HFUDNHEJSA-N 445.549 0.982 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1297756770 KUDRWZAJGKHXDC-LJQANCHMSA-N 437.570 0.974 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 1298471369 MHYSSJAQACBFAQ-UHFFFAOYSA-N 447.579 0.907 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1300725742 JEFGUERCTDPSJK-CQSZACIVSA-N 442.442 0.426 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1301257958 HUPPTDDUCZVKOQ-SJORKVTESA-N 443.570 0.819 30 10 ICEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301259317 HIWRMWQDNBNGAQ-INIZCTEOSA-N 445.549 0.374 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1301967574 DYTWDJUNUOCXJR-HUUCEWRRSA-N 428.584 0.756 30 10 ICEE CS(=O)(=O)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316351344 LZYXCUMKFATLSE-NVXWUHKLSA-N 438.554 0.020 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCCO)C1 1316354597 GRPQBKRONRVQFX-YJBOKZPZSA-N 444.533 0.606 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1358994061 CWSIVQOEQCSDSB-MSOLQXFVSA-N 433.534 0.767 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359056108 YGDWAEKNCOSMQZ-HNNXBMFYSA-N 440.595 0.361 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359299567 IHOXOHRZHRQLNG-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1359400161 CNMQMISPHDXZHC-HXUWFJFHSA-N 434.504 0.710 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1507623777 XDXORJCUNSXPBM-HOTGVXAUSA-N 445.611 0.951 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1507632183 JOAYPTUMLQXGNE-IAGOWNOFSA-N 428.518 0.494 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCOCC2)CC1 1507716784 UTQHAOSAHDMCIO-UHFFFAOYSA-N 431.585 0.674 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CCO1 1521136046 AOUJUHBNXUGUFL-CQSZACIVSA-N 449.313 0.788 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539200887 RSGPXBUSOFKPSU-MRXNPFEDSA-N 431.522 0.107 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)CC1 1539475764 NVMIMMXSZKKZIT-UHFFFAOYSA-N 432.550 0.684 30 10 ICEE COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1540844098 HNQHRHZMJPEJDB-QOLBRVKBSA-N 434.493 0.663 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1540863255 SBEDEDDGVSKJPP-AWEZNQCLSA-N 448.549 0.762 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1 1561899137 WDEQXURYARUZAP-QGZVFWFLSA-N 431.518 0.919 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588024407 BQIMZSYWLHVXLL-QGZVFWFLSA-N 437.566 0.956 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045206 HCVCAIGKIRJBHN-QGZVFWFLSA-N 447.561 0.842 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1588138266 BIIRPPCYDBKDDH-CQSZACIVSA-N 442.339 0.592 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1588233799 RCCCQSINVCLEAE-QGZVFWFLSA-N 435.550 0.379 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 1588811582 KYBVMJGQEOFBAY-KRWDZBQOSA-N 432.550 0.783 30 10 ICEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)nc2c1 1611972762 APUCXVNJUMSKGO-ZBFHGGJFSA-N 444.521 0.622 30 10 ICEE Cc1ccc(C#N)c(N2C[C@@H]3OC(=O)N([C@@H]4CCN(C(=O)CCn5cncn5)C4)[C@H]3C2)n1 1615002319 WKZWCUUCNXFNBE-SQNIBIBYSA-N 436.476 0.554 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3nc(C4CCOCC4)n[nH]3)CC2)cc1 1629485845 RANVJUUCQOAGQS-UHFFFAOYSA-N 444.517 0.646 30 10 ICEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352258 GIEBOENVIQKZAH-XXBNENTESA-N 441.532 0.574 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689989986 KLPVLNNXJHFSNJ-RRFJBIMHSA-N 446.620 0.558 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689990744 RHHJNYCUBTWUOE-JKSUJKDBSA-N 437.566 0.571 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C(=O)NC)C1 1690237827 BBZGKPWYRHSGEX-TVFCKZIOSA-N 437.541 0.935 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692534555 LRTCLCQHHUUNEO-DCOQFNDQSA-N 431.497 0.558 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1698492875 GRLYXNIXFRMYEE-SUMWQHHRSA-N 438.897 0.272 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1705566221 ZXYPMKUYISUYCH-GOSISDBHSA-N 432.550 0.545 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705581143 TVFMSXFSMVNJNU-GOSISDBHSA-N 425.514 0.895 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)C(C)C)CC1 1705647413 DIXPJAZTMDBVIX-SFHVURJKSA-N 430.553 0.910 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1710897736 HKBVIEHQZYFAIF-IAGOWNOFSA-N 443.533 0.471 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1711419315 CDXAWQFCWFFQHY-GOSISDBHSA-N 448.549 0.998 30 10 ICEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722692551 QTIHGNLUEFMFDT-IRXDYDNUSA-N 432.525 0.459 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1722702890 SWFCNLGUEWNNSI-AWEZNQCLSA-N 431.522 0.737 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1740678653 PJQDIRYVIRBSKA-IBGZPJMESA-N 431.585 0.626 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC)C1 1740738205 DVELJZGPLGDILA-NWDGAFQWSA-N 438.348 0.649 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740960043 JRUHYBIGTGMBBT-GOSISDBHSA-N 442.568 0.757 30 10 ICEE CCc1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744710168 KFIXZPXLPLELAE-JVMRMLDLSA-N 431.541 0.914 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1748219112 WXVBMXMRLNDOFM-KIJUOZEOSA-N 445.524 0.344 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748814371 DUTAUOGIZGVRDJ-RDJZCZTQSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749663684 MWJKGANMCNXEEJ-QGZVFWFLSA-N 441.540 0.563 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1750378803 MUFVWBMKIAFBON-BEFAXECRSA-N 438.529 0.929 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1760260167 NCBMQACYYXDLHN-UHFFFAOYSA-N 432.554 0.162 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760526606 QOVSMSXETZOZJD-KRWDZBQOSA-N 444.517 0.654 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnccn2)CC1 1760555436 FUXHGRODOVXMBP-MRXNPFEDSA-N 433.538 0.499 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2CCOC2)C1 1771361798 PVXLCIKGRCMTRO-IAGOWNOFSA-N 438.554 0.778 30 10 ICEE Cn1nc(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 2255842452 RODJZWQHFQEVNV-YNEHKIRRSA-N 433.318 0.852 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1 2267193579 HOGBALVCISGHQN-OAHLLOKOSA-N 448.329 0.830 30 10 ICEE CN1CC[C@@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 429038827 GMMMDMDVPRKILV-OAQYLSRUSA-N 431.562 0.419 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)ccc1F 488724372 JPZFCQOFEMKELZ-UHFFFAOYSA-N 438.525 0.937 30 10 ICEE N#C[C@@H]1CN(C(=O)c2cncc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CCN1C1CC1 732651666 FEIQPMSQUSEDTN-NHCUHLMSSA-N 433.516 0.706 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733312907 LTWYHOWUUXIOKU-OAHLLOKOSA-N 446.572 0.282 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)cc2C1=O 1153327104 SWXHVXQTZVPDAD-GOSISDBHSA-N 426.517 0.995 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCn1cccn1 1286628689 FCHVFPDMBRHJFP-CQSZACIVSA-N 429.934 0.696 30 10 ICEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286716889 STTBEWWCKCZJHA-LJQANCHMSA-N 448.568 0.703 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286819877 YNNBACQEDGCGHF-HUUCEWRRSA-N 438.554 0.325 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1286878375 VKXOPUWUVZZSEV-DPHDRGAJSA-N 438.492 0.857 30 10 ICEE CC1(C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1289024201 XLOQHSPOUZQFOR-FBMGVBCBSA-N 443.508 0.656 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1300495900 KQGMQYUERXPREC-ZWKOTPCHSA-N 445.545 0.639 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301196453 BXSFETJVIDQFAJ-CYBMUJFWSA-N 439.542 0.375 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301467085 FVOKQJZDIWXNBO-INIZCTEOSA-N 438.554 0.217 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301514714 LZHAOCDNAYPVEM-INIZCTEOSA-N 443.483 0.854 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1301587254 SUVQYRBXDQVETQ-INIZCTEOSA-N 425.555 0.563 30 10 ICEE C#CC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1309999000 PQLKLVWJPMKIJO-LSDHHAIUSA-N 429.520 0.312 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1358948376 BEDXIOAYNZKXQK-SFHVURJKSA-N 433.534 0.932 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)CC1 1359033096 PMKQBNMNSKYNIE-UHFFFAOYSA-N 446.533 0.368 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2n[nH]c(C)n2)CC1 1359046022 AXODJIVBXMRCFR-UHFFFAOYSA-N 433.520 0.899 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359049807 WQDFNQQMANANTG-GJZGRUSLSA-N 437.595 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1359333541 AWLPIXQHSRWVMN-UHFFFAOYSA-N 434.522 0.753 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)c1 1471076150 MKHWFECTEQRCOQ-ROUUACIJSA-N 433.486 0.941 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 1478551146 RXCUCBJYWJKWAG-CVEARBPZSA-N 443.570 0.569 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1507708836 OADHVGCNHFRNSM-UHFFFAOYSA-N 437.508 0.779 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1507836858 BROJWLGBEIMZPU-HZPDHXFCSA-N 438.558 0.914 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1513408050 GTGBKGGQGSJXBK-JKSUJKDBSA-N 438.554 0.893 30 10 ICEE CCS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1516843590 ZRSJTVFNYBMAMM-UHFFFAOYSA-N 437.570 0.860 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1517433466 CLERLJJGYRILLY-UHFFFAOYSA-N 439.520 0.884 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1519164216 HRUJABUUHKATQT-OAHLLOKOSA-N 440.570 0.851 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)S(=O)(=O)CC)CC1 1539453577 MNFFUASMKQGFAY-UHFFFAOYSA-N 445.593 0.691 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539459469 HKIWDXVXHMWUTL-KRWDZBQOSA-N 434.566 0.123 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539481827 ONLCSDPIKRVDQX-DLBZAZTESA-N 428.537 0.663 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1540006395 SDXCWFYSTVLTGG-QGZVFWFLSA-N 440.570 0.682 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588050954 YHIXHWDCNWGTQH-ZBFHGGJFSA-N 443.533 0.277 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 1588199070 HCIRFRIEEMHUTH-LBPRGKRZSA-N 447.344 0.724 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOC[C@H]2C)CC1 1588884850 OPBQNCUMZSTIQO-QGZVFWFLSA-N 445.568 0.103 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 1589657517 FHZZNSKMUKPRRK-OAHLLOKOSA-N 446.595 0.522 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1595466673 LHCBHXKDBJCQEN-UHFFFAOYSA-N 444.565 0.908 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1595475157 AYVUGFSYLPJVEQ-LSDHHAIUSA-N 448.549 0.978 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 1595760875 UNDFUPBVGSWJGQ-ILXRZTDVSA-N 433.600 0.971 30 10 ICEE Cc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612579928 RNZFMSDOHWOJHP-MXLIYFDZSA-N 427.509 0.856 30 10 ICEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1618930226 AISLJMHVISCBMO-HUUCEWRRSA-N 448.553 0.516 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(N4CCOCC4)ncn3)CC2)cc1 1629484664 BTPARNBQAUTNAR-UHFFFAOYSA-N 442.501 0.332 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2cccnc2)cc1 1631959863 YWXFWLWUEIGBIW-QZTJIDSGSA-N 433.486 0.941 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 1632960990 RTQXPIVRGPTUPP-FUHWJXTLSA-N 438.937 0.471 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1 1632961347 WMOZQQRWOZVJGD-UHFFFAOYSA-N 448.932 0.775 30 10 ICEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCN(C)C1 1690072706 QIEARAQESDQDNE-HXUWFJFHSA-N 431.566 0.764 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690143805 CKJCIIWRAYJUAK-SQNIBIBYSA-N 444.536 0.247 30 10 ICEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1692819971 IBXFLLDBVJKVMC-CJNGLKHVSA-N 438.485 0.835 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1705532809 QYNQLRCJQWVOTD-MRXNPFEDSA-N 434.566 0.978 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567977 DSOZYEMZYHJUFI-IRXDYDNUSA-N 425.555 0.162 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705937699 BXCZGRMMBZDHFT-HZPDHXFCSA-N 441.554 0.241 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1722396729 KEOIHNUDLUMAPM-SJORKVTESA-N 438.575 0.610 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722436992 IBAZQICZHGJKIJ-SJORKVTESA-N 442.486 0.800 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H]2C)CC1 1722449607 MRNVWQFYSNAWJT-SFHVURJKSA-N 441.580 0.851 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1723660799 HQTBOFKEZYONFW-HNNXBMFYSA-N 445.549 0.811 30 10 ICEE C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1723968780 IBOGCAUQLGVKDH-JLSDUUJJSA-N 442.517 0.214 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1740685790 MKSCWDYNUNANML-SJORKVTESA-N 432.550 0.725 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740876188 FCZNXEHUKXUJIB-HUUCEWRRSA-N 440.526 0.218 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1740990580 CENXAIROUNXSIE-MRXNPFEDSA-N 438.554 0.183 30 10 ICEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1748740107 NWVDJERZEDTPNP-UHFFFAOYSA-N 438.492 0.727 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760183855 URVHYQBSQGRTTK-KBPBESRZSA-N 441.535 0.156 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760185165 QZNKNTPOHNWSDC-QGZVFWFLSA-N 436.501 0.620 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(C)(=O)=O 1770044712 QIWBFIYTDWIFDT-ZBFHGGJFSA-N 426.543 0.223 30 10 ICEE COCCN(CC(=O)N1C[C@@H](CN2CCC3(CC2)C[C@H]3C#N)CCC1=O)S(C)(=O)=O 1857280841 FDLQQXLDLLLWHX-SJORKVTESA-N 440.566 0.285 30 10 ICEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676082 FLIBAPXOEJICMX-UWVGGRQHSA-N 428.320 0.472 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255832709 QGJQZKVEPPIEII-UHFFFAOYSA-N 436.318 0.668 30 10 ICEE C=CC[C@@]1(CO)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2272087353 WTPJOEKPXZIURM-VQIMIIECSA-N 426.491 0.956 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OC 481752819 DMYFFIKWTILLSY-LSDHHAIUSA-N 429.495 0.553 30 10 ICEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@@H]1CCS(=O)(=O)C1 521421160 VBRWZBLEEYZEHM-JKSUJKDBSA-N 445.563 0.894 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 588743593 AUYNLACKWGWMFT-UHFFFAOYSA-N 430.486 0.850 30 10 ICEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 730143705 CSCBDNDWOCLFGC-OAHLLOKOSA-N 439.513 0.580 30 10 ICEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 746872398 LTGUISKJQIJBBE-UHFFFAOYSA-N 428.470 0.617 30 10 ICEE CN1CCN(S(=O)(=O)c2cccnc2NN=CCN2C(=O)c3ccccc3C2=O)CC1 755732504 YBPCPSNTYGLQCE-UHFFFAOYSA-N 442.501 0.712 30 10 ICEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1C(=O)NC[C@H]1C(=O)O 757542749 LRNQKYQWWQJJHQ-NQIIRXRSSA-N 447.447 0.844 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C 760324002 XXAOMTQGFJGCAW-IEBWSBKVSA-N 447.561 0.415 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CC1 786734279 GPBWPKDEKFWWGJ-UHFFFAOYSA-N 426.543 0.078 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)n1 790109176 OSAJVFFKNROXCO-UHFFFAOYSA-N 425.449 0.887 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)cc2C1=O 918812264 IVHRFUJLCSYLOQ-UHFFFAOYSA-N 425.441 0.706 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286353428 WENFNXKOLBLVFF-ZWKOTPCHSA-N 447.565 0.201 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1300664987 HFYYQMPJXRSCES-UHFFFAOYSA-N 435.506 0.651 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1300671479 JPFTYRTVYNCLTM-RXAIFQJESA-N 430.596 0.813 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301478669 NVOOOIQFUIUBLN-ARFHVFGLSA-N 425.493 0.946 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1301585684 DIXBRFQZZMAHHD-UHFFFAOYSA-N 434.522 0.753 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1358955309 JOEZXNSBUXKXHM-DLBZAZTESA-N 433.534 0.486 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963837 OUXLINPWDBIHHY-IAGOWNOFSA-N 438.550 0.340 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCN(C)C2)CC1 1359043941 OPTPSPQKEKTYPB-HSZRJFAPSA-N 437.548 0.681 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359056293 CGOSEZSMOPGVTD-BZUAXINKSA-N 428.580 0.787 30 10 ICEE C=CCn1cc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)nn1 1451879619 OHNMGOOWRXOPKB-HOCLYGCPSA-N 425.898 0.558 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1519164215 HRUJABUUHKATQT-HNNXBMFYSA-N 440.570 0.851 30 10 ICEE C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1520779295 XBCGHHSCDSXUIJ-SWLSCSKDSA-N 433.494 0.212 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[S@@](=O)CC)CC1 1539460125 XAIWFFFPTYLGIW-LJAQVGFWSA-N 434.591 0.793 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)C1 1540894585 AVYNHGCKPCBRBW-MRXNPFEDSA-N 432.525 0.464 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1585133172 ZRKYZAKFSJFFKP-IEZWGBDMSA-N 437.543 0.627 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587638441 DWWXWZQMNQMHKK-RRFJBIMHSA-N 449.499 0.901 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 1587668042 QUXSGXVSMFQKNV-FZKQIMNGSA-N 437.547 0.277 30 10 ICEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1587894303 RXLYFDACMCZFRE-KKSFZXQISA-N 430.509 0.816 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cn(C(C)C)c(=O)nc2O)s1 1588237676 SAJJASALHXRUFL-UHFFFAOYSA-N 426.520 0.915 30 10 ICEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1588245744 PLXJTLKEUHUDDX-JOCHJYFZSA-N 442.541 0.912 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595496593 AVLZINFBIMSPEO-AWEZNQCLSA-N 446.533 0.318 30 10 ICEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Cl)c1OCC(N)=O 1618171824 OMFSDIFDXOJLJJ-APPDUMDISA-N 427.866 0.223 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2)CC1 1632960666 LVVRNWVTOIDCBQ-KRWDZBQOSA-N 438.575 0.150 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1 1640564502 YOMDARWIARZTHY-UHFFFAOYSA-N 437.518 0.777 30 10 ICEE N#CCc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1671984022 FYECGIXWHNFYMC-INIZCTEOSA-N 426.520 0.419 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1 1679163625 YMUUKIFIISPRHU-UHFFFAOYSA-N 433.465 0.594 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689835076 FSPBRDWEXPFEAX-VBKZILBWSA-N 434.518 0.970 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1689996733 NHTYBDUBHHKZDL-HNNXBMFYSA-N 425.580 0.780 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCS(=O)(=O)CC2)CC1 1690112414 XJOWPWWFFYLBHV-KRWDZBQOSA-N 439.582 0.582 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCS(C)(=O)=O)CC1 1690141723 BDLXXTHYWYHTHB-UHFFFAOYSA-N 445.545 0.964 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690170166 AREMZTTZRRPIKW-NVXWUHKLSA-N 445.593 0.385 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1690660214 BPCHZWHZKFFNPU-HIFRSBDPSA-N 438.510 0.361 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1705566822 QRHFARPZIPRROS-ILNYKDOHSA-N 426.564 0.773 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705588889 HDVVMSDRKGVKKE-QGZVFWFLSA-N 448.593 0.941 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1705597784 QIJLZAPRKYJLRV-SFHVURJKSA-N 429.502 0.803 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCn2cnnn2)CC1 1705641764 SNHXTWGVURHTQH-UHFFFAOYSA-N 435.536 0.904 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722281256 IFLFTHKDSNHJDE-DLBZAZTESA-N 449.519 0.874 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740629024 YUQHENYCOKTRHT-RPTYLJJZSA-N 438.550 0.686 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)Cc1ccon1 1749065134 UTVJCXQKHAOIIT-DNVCBOLYSA-N 447.521 0.329 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1749650533 ASPWUUORIREQRO-ZOCIIQOWSA-N 438.554 0.197 30 10 ICEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1750845033 IBKBLTSIJYTVCS-QZTJIDSGSA-N 431.541 0.600 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760154156 AZMYTSJKPVPFPN-HZPDHXFCSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760186978 BPYMMEVSJDPOPS-GQIGUUNPSA-N 430.534 0.913 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1760206891 QCKPQVWFLULHEU-UHFFFAOYSA-N 426.502 0.201 30 10 ICEE CN(c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1766971070 BOHWNNMVMFJDBS-HFUDNHEJSA-N 434.522 0.695 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1772567228 YOLJHBKJVOCPJQ-QGZVFWFLSA-N 447.540 0.396 30 10 ICEE CN(CC(=O)N1CCC(CC#N)CC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1848794840 LHFVQRFUJZNRAR-UHFFFAOYSA-N 448.545 0.932 30 10 ICEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc21 1892027309 PRISMIPHQPXTFG-UHFFFAOYSA-N 448.501 0.822 30 10 ICEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247880097 APHHTSOKOTUXFT-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)c1C#N 472103668 HYPTWYRXNCFFST-SFHVURJKSA-N 430.557 0.375 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 503610352 MRNBCPBNHDQSPE-UHFFFAOYSA-N 434.518 0.225 30 10 ICEE Cn1cnc2c1c(=O)n(CCCN1CCN(c3ccc(C#N)cc3F)CC1)c(=O)n2C 507196233 LSTVGIVYQNJIPZ-UHFFFAOYSA-N 425.468 0.657 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 513777895 CXMGRSXYRAPZOC-UHFFFAOYSA-N 427.486 0.783 30 10 ICEE CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544079045 KFIXHRVGFWIDLH-UHFFFAOYSA-N 429.527 0.443 30 10 ICEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549639240 ZPNJHEUOJPZOLQ-MRXNPFEDSA-N 426.543 0.057 30 10 ICEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 739839922 WZTPAKZAZGACHX-UHFFFAOYSA-N 431.522 0.277 30 10 ICEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(S(C)(=O)=O)c1 753559904 RIEYOICRSOFIPJ-INIZCTEOSA-N 448.501 0.404 30 10 ICEE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNC3=NC(=O)C(=O)N3)cc2OC)c1 765595110 DSJXWDOHOXEGPL-UHFFFAOYSA-N 426.385 0.868 30 10 ICEE N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCOCC1 767402968 YRYWFCZHHQIICO-GIDUJCDVSA-N 447.513 0.995 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 774162008 CKHYSEDNYCZPAS-CQSZACIVSA-N 433.939 0.450 30 10 ICEE C=CCOC(=O)N1CCC(OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 790855065 ONSFMCVEMRDGCB-CYBMUJFWSA-N 427.479 0.482 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccccc4O)n3)n2C)n(C)c1=O 1084137285 KFYTWVMHILHHIM-UHFFFAOYSA-N 427.450 0.392 30 10 ICEE COc1ccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1O 1084240350 KTLWWVJTGNVBDO-UHFFFAOYSA-N 443.449 0.390 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1134052691 MOUWNVFKCIWXOB-ZENOOKHLSA-N 429.545 0.298 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)N[C@@H]3CC[C@H](C#N)C3)C2)CC1 1230295654 DLFGIEBYXXBMID-LSDHHAIUSA-N 441.554 0.955 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286398765 ORAXOHZHGXJQTC-QZTJIDSGSA-N 437.566 0.479 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286785595 GVSWLPZYIBAVAB-QTCYRWPVSA-N 445.524 0.635 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1286792562 BSDVFWRYQRFINU-KRWDZBQOSA-N 442.520 0.689 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1299301881 IECAGWSKIVWOBW-KRWDZBQOSA-N 431.522 0.471 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)CC1 1300725898 LIJCCZQCALXJCU-IERDGZPVSA-N 449.577 0.307 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1301404624 PILDUVAIPBLZPF-WQIZZMQYSA-N 443.595 0.701 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1301492357 GOJZAIVLMMYIPH-UHFFFAOYSA-N 438.496 0.184 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301568744 JTGYYOKKGAQNKH-KKUMJFAQSA-N 449.599 0.493 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1358946085 IEFXHAWNERHMLI-UHFFFAOYSA-N 429.506 0.294 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1359332782 HBNNYMXBSLYRRS-CRAIPNDOSA-N 446.595 0.786 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507732842 XZGUBZDYBPICCC-OSCRUYLVSA-N 425.493 0.064 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507944226 PXBWWHREMROMEO-AWEZNQCLSA-N 448.615 0.715 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1508235588 GPLZAMYNVYJVOL-UHFFFAOYSA-N 443.533 0.521 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1516225048 KUBGUEAUHGELMF-UZLBHIALSA-N 430.465 0.394 30 10 ICEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1517701088 BSXZGSQXBSXRFB-UHFFFAOYSA-N 447.521 0.644 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1539146117 YLXBIZYAIAXECV-UHFFFAOYSA-N 449.562 0.373 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1539325900 PRUUWJUTXUZUJF-NQIIRXRSSA-N 449.577 0.889 30 10 ICEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1544727849 DNNPEUSMYQQYOB-UYZDIKGJSA-N 444.506 0.069 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1588139513 OHMPLFMYESEBGE-GOSISDBHSA-N 434.566 0.170 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)CC1 1588885760 YVGNJCYHJJSYSJ-UHFFFAOYSA-N 446.552 0.314 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1620352716 XXNGKGMGFIBPSZ-ZWKOTPCHSA-N 426.477 0.595 30 10 ICEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1654476384 MHFPFOROINCXQX-SJORKVTESA-N 439.534 0.470 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)S(=O)(=O)CC 1689954109 LRYPEVNRYJYCDV-UHFFFAOYSA-N 443.537 0.662 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)CC1 1690110660 VNXSZUNOQVKVJJ-UHFFFAOYSA-N 439.520 0.612 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)COCCO2)CC1 1690113948 YOBSQMXIOISZMD-YADHBBJMSA-N 433.553 0.879 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690124179 HAFNVBZEUZZNEL-OALUTQOASA-N 430.553 0.770 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690669498 HGVQGYZIFWKHRW-GOSISDBHSA-N 439.520 0.867 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)CC1 1705638307 GGXMPCOVPXUZNF-KRWDZBQOSA-N 434.548 0.897 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1705675282 ZSMPQIHMMRKTBI-MAUKXSAKSA-N 440.591 0.997 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1706848029 BNQWOKUSCXKTPX-MELADBBJSA-N 432.572 0.594 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(C)CN(C)C1=O 1710729779 IQOFLFIAPGUJSG-NRFANRHFSA-N 441.540 0.533 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)CCO1 1712884729 RDFBJJHLRCPZOQ-JTQLQIEISA-N 441.370 0.413 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1722345532 GLPBFBQXFQRCNB-HXUWFJFHSA-N 430.534 0.743 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCC=C)CC1 1722438303 POEOLJROCQIIAZ-UHFFFAOYSA-N 446.515 0.249 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722694726 FUUNLANGIBQYPY-UHFFFAOYSA-N 448.487 0.640 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722700086 WCXPCSGZLWUJPM-INIZCTEOSA-N 426.587 0.887 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1740605049 PKJDRKWPFCABCT-UHFFFAOYSA-N 425.474 0.994 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740624690 KUEDMKUJHSTLEI-HNNXBMFYSA-N 448.574 0.840 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740990555 CBUPVHWLIORNCE-DOXZYTNZSA-N 439.538 0.214 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1748191376 QJUVZFYFOYEKLG-IAGOWNOFSA-N 437.504 0.970 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1748929926 SRJLBKIQYSKPFT-MRXNPFEDSA-N 438.554 0.129 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1749119996 ZFTLXNDNLSZADK-YJNKXOJESA-N 426.543 0.181 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1760217569 GSJUPFROSQMNNP-UHFFFAOYSA-N 439.501 0.606 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=CCC1 1770832827 JLSCYJDFAICQBR-HFUDNHEJSA-N 432.506 0.473 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706951 PFRGVBHVRDXEDA-UHFFFAOYSA-N 430.469 0.088 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NOCCNC(=O)OC(C)(C)C)n1 2247953664 UMUKZZYWMYKVNO-UHFFFAOYSA-N 446.335 0.454 30 10 ICEE CC1(C)OB(c2cccc(N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)n2)OC1(C)C 2266741413 AIIDKPNKVFJTNR-NWDGAFQWSA-N 442.247 0.740 30 10 ICEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2312856592 CLMXRUHJYVNRLV-WRWGMCAJSA-N 433.236 0.850 30 10 ICEE Cn1nnnc1SCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C)c(C#N)c1 35148236 JVARIQHZYGWMIQ-UHFFFAOYSA-N 445.494 0.067 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447271245 PROIAWZRNUGWEG-UHFFFAOYSA-N 436.335 0.768 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C[C@@H]1CCCO1 611492428 MMLATLWJYUWCHR-ZDUSSCGKSA-N 432.433 0.385 30 10 ICEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n(C)c2)C1 732155749 DRIXQCJLFJSZEE-NXHAUGRDSA-N 449.533 0.702 30 10 ICEE C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 790012964 JSCMWWCCGXMIJU-UHFFFAOYSA-N 436.577 0.611 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 818513867 WESFGBSYSJGNAU-OAQYLSRUSA-N 431.468 0.039 30 10 ICEE C#CC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OC 1161365465 TXTVLDHRKGOUNY-QWHCGFSZSA-N 426.447 0.291 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 1286365667 FZBDABTZUWKNMS-UHFFFAOYSA-N 433.534 0.806 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1286778380 BOEDIGQKVXHGPL-UHFFFAOYSA-N 439.524 0.241 30 10 ICEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCS(C)(=O)=O 1304853977 TULYARNXUNRFSM-UHFFFAOYSA-N 436.513 0.985 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316345424 PNMRAXATPXNZSG-DLBZAZTESA-N 449.581 0.621 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358904639 IUUBJXNGOZFLKQ-HZPDHXFCSA-N 441.579 0.319 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N3CCOCC3)CCOCC2)s1 1451101642 HYUJMWIBAGELRG-UHFFFAOYSA-N 443.591 0.753 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)CC1 1477407590 XDOSHCUHJSAJDN-UHFFFAOYSA-N 435.428 0.318 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1492753703 FUIOKSBOQZYJLW-MRXNPFEDSA-N 436.542 0.196 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1507588251 HWAQWWZKPMSTNZ-HUUCEWRRSA-N 425.511 0.024 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1507632075 ITZLIHGVSGETGG-XMTFNYHQSA-N 438.550 0.686 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507640046 OCUWNBDVPQWKOZ-QGZVFWFLSA-N 433.534 0.374 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1508108779 LKHOTPCYUWYWPH-OAHLLOKOSA-N 441.554 0.137 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1539295763 FPSDZPHFWVXZMK-OAHLLOKOSA-N 438.554 0.876 30 10 ICEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)no1 1542208642 FWYRJCYLNJHVDZ-INIZCTEOSA-N 435.510 0.696 30 10 ICEE C#CCN(C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)[C@H]1CCS(=O)(=O)C1 1543463134 RUTVLYAASWPNMG-HNNXBMFYSA-N 439.538 0.846 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1554327667 LVODBTAASVGMHN-GFCCVEGCSA-N 443.327 0.819 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 1561296335 JZRFYXZGXBNIOF-MHZLTWQESA-N 430.527 0.284 30 10 ICEE C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1564114700 VQGWMIAFMZPUQI-UHFFFAOYSA-N 425.532 0.840 30 10 ICEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3ccc(C#N)nc3)CC1)C2 1564724789 GMVVDJOAXCHRQP-OALUTQOASA-N 425.537 0.868 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1595837946 GYXNCHURURGTPH-UHFFFAOYSA-N 428.584 0.515 30 10 ICEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1614979036 AKCHMIHAAWJVDZ-UHFFFAOYSA-N 434.508 0.798 30 10 ICEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCO[C@](C)(C#N)C2)c1OC 1617894967 KAEXXOSJNLCDMD-LJQANCHMSA-N 439.490 0.479 30 10 ICEE COC(=O)C1=NO[C@@]2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1649042844 USEWIJJTQFPMII-IBGZPJMESA-N 434.474 0.426 30 10 ICEE COC(=O)CN(CCN1CCOCC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1653409328 QWCMAUBTEDYRST-UHFFFAOYSA-N 441.450 0.980 30 10 ICEE Cc1c(Br)c(C)n(NC(=O)c2cc(S(N)(=O)=O)cn2C)c(=O)c1C#N 1654531237 RMKQWQKFRBUQEL-UHFFFAOYSA-N 428.268 0.469 30 10 ICEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1697975341 GJIXMFSYGJZMGZ-YOEHRIQHSA-N 430.506 0.480 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCOCC2)CC1 1705641833 VTKZIXRHSUQPFK-IBGZPJMESA-N 429.569 0.124 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)CC)CC1 1705768933 DJVVJYMXXYIDAD-HNNXBMFYSA-N 426.543 0.246 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705903221 OJGNZHNKZJNBLT-UHFFFAOYSA-N 445.487 0.706 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1722398124 XZEGPKPMFUXYHQ-UXHICEINSA-N 447.605 0.880 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)cc2)CC1 1722429187 IHDAORSHCUBHNK-UHFFFAOYSA-N 437.548 0.910 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)CC1 1722431105 FXOUACICYIWCLQ-OAHLLOKOSA-N 449.581 0.977 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1722449151 QQAFXOFBERGVGQ-UHFFFAOYSA-N 449.515 0.804 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722566022 HXACERCYIMIPIJ-GJYPPUQNSA-N 441.554 0.307 30 10 ICEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1729304024 BDQRVQOJGPWHDJ-UHFFFAOYSA-N 431.522 0.377 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740708939 GKMYRRGYTXBGAH-ZBFHGGJFSA-N 442.611 0.607 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1740788288 RCLYUNIPQGLWJB-OAHLLOKOSA-N 443.574 0.333 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)C1 1740980089 HUKMEXNGDRZKKO-CVEARBPZSA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740992400 PCMNXEDFPYXQME-OAGGEKHMSA-N 446.595 0.642 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C 1741675958 RUPUQSRLJQDIOB-UHFFFAOYSA-N 425.497 0.098 30 10 ICEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1747649518 BDONJMYTGLLVIM-DNZUHHBVSA-N 434.522 0.380 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1748965225 QHWPQNVRXBRBHA-MRXNPFEDSA-N 438.510 0.042 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184980 NFWNZPPHQFAEJP-KRWDZBQOSA-N 445.545 0.898 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(C)(=O)=O)CC1 1760258982 VVBCDGAWNPFPPJ-UHFFFAOYSA-N 446.533 0.021 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1n[nH]c(C)n1 1770042950 DRKCEFUGRGVNIY-PBHICJAKSA-N 429.529 0.848 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)CC1=O 1872995093 SPHHTLBIIRDVIE-IAGOWNOFSA-N 442.491 0.884 30 10 ICEE CCCn1c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc2c(=O)n(C)c(=O)n(C)c21 1891764456 JCIMHLGPYGAWGG-UHFFFAOYSA-N 436.476 0.071 30 10 ICEE Cn1nc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255615185 PFQZAMGRAGNVOB-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255824152 CCGRTDAQTMBMOL-UHFFFAOYSA-N 436.318 0.668 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 465123308 XFDOGEUNUYTHLU-CQSZACIVSA-N 430.461 0.623 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 467667257 LDMFAVNJVXYOKM-VQHPVUNQSA-N 425.551 0.341 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2)CC1 555154768 ANRSLQUKVRYSND-UHFFFAOYSA-N 425.537 0.889 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCN3C(=O)CC)C1=O 726043349 SLCZTSFHBAWJLN-UHFFFAOYSA-N 427.413 0.688 30 10 ICEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 774211789 FSRREARLSFYLRG-ZDUSSCGKSA-N 445.485 0.380 30 10 ICEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)OCC 1132192306 CUSKDJMVXUQNBH-HNNXBMFYSA-N 443.909 0.611 30 10 ICEE C=C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1148554364 VJHGEGZNKWEFME-RISCZKNCSA-N 433.324 0.645 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1278476417 BCURALLGFCWLNE-UHFFFAOYSA-N 443.543 0.922 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSC)CC1 1286493822 QFGROCUOQJNFRG-MRXNPFEDSA-N 439.607 0.899 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1286509457 QSAMTJCSLVUKFY-LSDHHAIUSA-N 426.564 0.936 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286785581 OOSATMWMVDNGNF-KRWDZBQOSA-N 440.552 0.708 30 10 ICEE CC(C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287200131 BCFZEEAIWVIPOT-DXQAYGFFSA-N 442.524 0.968 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300494107 YRMCKWVIMXQXFG-WMZOPIPTSA-N 443.529 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cncn2)CC1 1300729184 PMTDOELOTNMRCE-UHFFFAOYSA-N 439.549 0.891 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCN(C(=O)CC#N)CC3)CC2)cc1 1307778315 MBPWMGRXMMKJBX-GOSISDBHSA-N 447.561 0.274 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C2)nc1 1313273462 NBJBCSPGZQJKDR-LJQANCHMSA-N 449.515 0.972 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1=O 1314919589 HEYGYTHLDUSPLY-UZLBHIALSA-N 428.518 0.918 30 10 ICEE CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1316384817 BQGMXVVVWBPAGF-HZSPNIEDSA-N 430.556 0.091 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2cccc(O)c2)CC1 1359034337 MGEFYNISMVDZOY-UHFFFAOYSA-N 448.531 0.960 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359038172 MNVSLLLPZSWJAG-FQEVSTJZSA-N 443.596 0.513 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1359049824 WSJWQNHEXLJILD-DYVFJYSZSA-N 428.584 0.217 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359301245 VLOJRKWKJHCJBD-QLFBSQMISA-N 438.554 0.005 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359333345 VEDYHEGNKCNPEJ-KFWWJZLASA-N 425.511 0.318 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1462783189 FVNIWMWDHWVXDM-UHFFFAOYSA-N 434.499 0.851 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 1477631762 XARZFAOVICTVFE-MRXNPFEDSA-N 433.534 0.669 30 10 ICEE C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493959937 JEQVMNYSJDBAQF-KRGDBVFUSA-N 434.522 0.553 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1507628915 JAUDSWPIKZKXDH-LJQANCHMSA-N 443.529 0.842 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)CC1 1539427769 IQRKALWAHCJGTG-UHFFFAOYSA-N 438.492 0.523 30 10 ICEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)n(C)n1 1542999440 AUJOCIZCLKELQA-GDBMZVCRSA-N 436.542 0.440 30 10 ICEE CNC(=O)NC[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1584822265 BTQGOALAORQWJO-WZHMAMEKSA-N 435.525 0.930 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCCN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1588029406 HLYZLUHJFNMUGX-MRXNPFEDSA-N 445.611 0.700 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1588384882 CXYNVICIKLCOJG-MRXNPFEDSA-N 425.555 0.766 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1595603038 WBIZWJZLGSAJMZ-HRAATJIYSA-N 432.525 0.434 30 10 ICEE CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)OC 1614407233 HWIIPNVDVLNNNY-VKJFTORMSA-N 444.533 0.868 30 10 ICEE CC(C)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 1627414028 CJVUYNMWBOOPSA-INIZCTEOSA-N 436.534 0.505 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1637260861 QLVHEVMNUMJGCB-APWZRJJASA-N 425.528 0.950 30 10 ICEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C 1656771959 QUVFOBLLNYMDHQ-UHFFFAOYSA-N 445.501 0.676 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 1671035250 UVJIOEHSQCMWJM-AZUAARDMSA-N 433.578 0.692 30 10 ICEE CN(C)CCn1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1671893267 BKTNQAXXYHROMM-UHFFFAOYSA-N 431.522 0.855 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1689945651 HCPDJTPMOBSUPX-LPHOPBHVSA-N 446.577 0.573 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1690206729 YHAHYENEAOFWIK-FXAWDEMLSA-N 438.598 0.943 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1692845784 YCYZWLTWDOBACA-XOBRGWDASA-N 428.497 0.632 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705564545 PAYBSJSTIDFXBG-HOTGVXAUSA-N 449.558 0.402 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1722462295 UVNRRMLPNJKQAB-OAGGEKHMSA-N 443.595 0.591 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722713703 JDQPAMHDENHHMN-DLBZAZTESA-N 440.566 0.893 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1740725378 QDNGTFJXRWIQNY-CRAIPNDOSA-N 426.612 0.929 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740961646 GIDDIQNPZPNGJS-MRXNPFEDSA-N 436.520 0.781 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811210 DBQJMESUTGNTPX-INIZCTEOSA-N 433.538 0.174 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1760116135 FMXDDTINJSFDQY-HOTGVXAUSA-N 441.554 0.001 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760188751 MIXRLWDCGCLBTN-JZXOWHBKSA-N 433.534 0.951 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCCOC)CC1 1760252129 MDOCRMHIIZDOFI-UHFFFAOYSA-N 441.536 0.640 30 10 ICEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1764845543 WXPKVJFXHKPPEK-CYBMUJFWSA-N 431.522 0.657 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2255696042 OJCZIQOUOFVPOO-UHFFFAOYSA-N 437.306 0.739 30 10 ICEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2255844511 XRUHUSQAUBCVSH-UHFFFAOYSA-N 434.302 0.799 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879156 FXKUFEQHWDOPCY-NRFANRHFSA-N 448.329 0.878 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCn3c(CO)nnc3C1)CCCC2 426434042 VFPJRGIJRLXVEI-OAHLLOKOSA-N 439.520 0.956 30 10 ICEE Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 487566295 BKPWJVHPISTBKA-UHFFFAOYSA-N 439.501 0.933 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cc1 514306907 OMEDTWRPVSEDGM-GOSISDBHSA-N 441.553 0.917 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 732152472 CHYRTAVHGFMUMS-LTRYHMRKSA-N 438.531 0.934 30 10 ICEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 734293345 RGPWXSHKFJMWJT-UHFFFAOYSA-N 432.483 0.753 30 10 ICEE COCCOc1ccccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 751555176 XYMSRGITKSNAPJ-UHFFFAOYSA-N 440.525 0.294 30 10 ICEE C=CCNC(=O)CN1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 753996462 UQDZBTCXBYDJDT-NRFANRHFSA-N 431.581 0.098 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763459978 CRDFDOXFBCPWQQ-HNNXBMFYSA-N 447.520 0.763 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 813563770 NIVJNJYEGRPHOU-BBRMVZONSA-N 435.550 0.829 30 10 ICEE C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)[C-](C(N)=O)[C@H](C)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21 1088725566 MSOCJZQIXBUXFI-JEDZQGLKSA-N 443.476 0.051 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)CC1 1197757830 AGPLMTCADKTMLJ-IEGUWTFLSA-N 448.564 0.542 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1301477684 CXHKPXRRBLILOQ-ZDUSSCGKSA-N 436.513 0.892 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1301501546 ZBZNJMQTCUEYIY-AWEZNQCLSA-N 425.555 0.876 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1314675245 IDORZSWIGMHPAG-INIZCTEOSA-N 443.533 0.970 30 10 ICEE CS(=O)(=O)CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316341126 GYYYXEWYGYJRRV-DYVFJYSZSA-N 445.542 0.447 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](Cn3ccnn3)C2)CC1 1460469986 UQHFYMMGKHCYOY-VQTJNVASSA-N 427.484 0.527 30 10 ICEE Cc1ccc(NC(=O)[C@H](C)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1460861790 WYEGKLAPADSOOW-OXJNMPFZSA-N 436.534 0.957 30 10 ICEE CC(=O)N1CCN(C(=O)CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1464927322 ABOKWDZGUFMGEK-UHFFFAOYSA-N 437.294 0.897 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1469877070 MFIXPHZZTVCKLE-WBVHZDCISA-N 440.493 0.753 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CC1 1471451551 WGPBQGALVTYIHM-UHFFFAOYSA-N 427.482 0.849 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508130651 IPTWTCBJRNCRJP-LSDHHAIUSA-N 438.554 0.265 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CCOCC2)cc1 1527273812 IHDUFHHAXIYVNX-LTGZKZEYSA-N 433.494 0.630 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1539482096 RCOIVMAIDHYTFA-VGSWGCGISA-N 428.537 0.616 30 10 ICEE N#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556608007 XESUQXOLERVRMC-QWRGUYRKSA-N 432.296 0.521 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCC(=O)N(C)C 1612884792 GONVWQROYNZSSX-NVXWUHKLSA-N 439.524 0.985 30 10 ICEE CS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1620159576 TZOZDHOPRFGXQL-UHFFFAOYSA-N 432.506 0.927 30 10 ICEE C[C@]12CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@]1(C)C(=O)NC2=O 1620487006 NSOCIXBOBFUFSM-ZPMCFJSWSA-N 427.480 0.519 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034216 JSMNAFQRVVIQPT-IEBWSBKVSA-N 448.545 0.518 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 1631254051 IWMYXGJMPLXOLG-KGLIPLIRSA-N 444.506 0.931 30 10 ICEE C#CC1(O)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1643958382 OYXMPCLQUMFMHQ-UHFFFAOYSA-N 437.518 0.115 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1644282218 YKNACUIYNHTZGC-QGZVFWFLSA-N 436.534 0.864 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CC1 1644285753 ZJUSHDOFUWSNKS-OAHLLOKOSA-N 428.555 0.634 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)C2)c(=O)nc1O 1648787153 IEOFQFBYHYFHHB-ZDUSSCGKSA-N 435.487 0.119 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NCCc3ccccn3)cc2)CC1 1650848631 BTWPJVVZLLYFOU-UHFFFAOYSA-N 427.530 0.962 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](CNC(=O)NC)C2)cc1 1658320798 NODOSXMVFNBQNQ-HNNXBMFYSA-N 425.511 0.655 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690143803 CKJCIIWRAYJUAK-FGTMMUONSA-N 444.536 0.247 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1690621922 CUEHZQDYCHWSSS-BRWVUGGUSA-N 443.570 0.675 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690678445 WGIIBIAKUBJYDG-RMJJICAUSA-N 448.568 0.461 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690696726 HVBPMWNUDDKFLN-SJORKVTESA-N 435.554 0.884 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1698254879 OWVZRGWVQRIPFV-KSZLIROESA-N 428.493 0.786 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1705884627 UFUHRTXUPHMUMP-KRWDZBQOSA-N 441.598 0.930 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1705904741 XERCBDDOAWIZDS-INIZCTEOSA-N 435.506 0.574 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1706648046 GWAMFQCVIGPUBR-AEFFLSMTSA-N 437.504 0.968 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1740611312 ZVAZPSXACYIDPQ-KRWDZBQOSA-N 448.549 0.911 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740615939 OFLPLHIVZXBVTM-RZQQEMMASA-N 437.566 0.594 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1748990329 HAVOQPWGZYDFFV-UXHICEINSA-N 442.612 0.258 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1749457455 KLKITFXSBUNORN-KRWDZBQOSA-N 425.555 0.832 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1760193979 AMXALIDVTJJFCE-OAHLLOKOSA-N 446.508 0.530 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1760207881 AQZSLWNVKBLRCA-HNNXBMFYSA-N 425.497 0.995 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1760220081 WBBLCVNUCVQEPM-RTBURBONSA-N 448.593 0.414 30 10 ICEE COCCN(CC(=O)N1CCN(Cc2ccc(C#N)cc2F)[C@@H](C)C1=O)S(C)(=O)=O 1855019451 PJFWTXWRUYKLPA-AWEZNQCLSA-N 440.497 0.165 30 10 ICEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 1872924756 AKJVRIOUJJMDIN-KRWDZBQOSA-N 448.545 0.223 30 10 ICEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674620 LQZOPAADOZQZRJ-VHSXEESVSA-N 428.320 0.472 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)n1 2255608365 KSXNPYOFABSMDG-UHFFFAOYSA-N 433.318 0.950 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548334 FSRDHQWNYBGEEL-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE CN(C)C(=O)[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)C1 109871347 SKQODTMEIWERTC-HNNXBMFYSA-N 435.550 0.896 30 10 ICEE C#CCN(CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 111047702 XNKIOBFIVWQGDO-ZDUSSCGKSA-N 442.335 0.626 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1C#N 489112319 XYHOVILZDGYUAQ-UHFFFAOYSA-N 435.550 0.501 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 590927610 CENUQPTZARGQNG-UHFFFAOYSA-N 430.530 0.173 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccoc3)c2=O)cn1 732662969 GBRBRAUHAROONI-UHFFFAOYSA-N 441.538 0.787 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 758055479 PSXVNPKEZDCEPC-UHFFFAOYSA-N 442.566 0.560 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763385898 ZWKKDDNWKQFUHQ-AWEZNQCLSA-N 428.507 0.873 30 10 ICEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCN1CCOCC1 782596840 CBPDNJVVWZYIMI-UHFFFAOYSA-N 427.436 0.419 30 10 ICEE C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1)[C@@H]1CCCO1 809308295 HCRJBFBDBOGJDV-GBESFXJTSA-N 447.919 0.995 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)NCCC(C)C)c1cc[nH]n1 1136640305 SGYWSUQYOFAXDN-CQSZACIVSA-N 425.511 0.757 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1F 1147832374 VBZNJHNTDXASAM-HUUCEWRRSA-N 433.527 0.880 30 10 ICEE Cn1c(=O)[nH]c(NC[C@H](O)COc2ccc(I)cc2)c(C#N)c1=O 1185241018 DEAGSMKFNPAAOK-JTQLQIEISA-N 442.213 0.402 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)C1 1286799885 BILPEWUJGIRMMD-WMLDXEAASA-N 448.549 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286818584 KGQNADYVXPXRNY-AWEZNQCLSA-N 427.552 0.887 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301036858 MUBQQLPEIQBVKV-JQFCIGGWSA-N 435.960 0.971 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1301289728 NICNYPKVROYRRL-FQEVSTJZSA-N 444.517 0.364 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)C)c1 1358900605 ODOILHLCDGIKDT-UHFFFAOYSA-N 437.504 0.659 30 10 ICEE C=C(C)Cn1c(SCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)nnc1-c1ccco1 1438182514 VHHBGUYYKWEIKO-UHFFFAOYSA-N 440.551 0.813 30 10 ICEE C#CCN(C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1479292918 GLVVFXGPFKOMEJ-QGZVFWFLSA-N 442.582 0.807 30 10 ICEE CCN(CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1502182822 DJDDAKZSQRNGGK-KRWDZBQOSA-N 433.538 0.664 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507622582 JCSBIBPOOPBQKF-HNNXBMFYSA-N 434.522 0.696 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507831867 HBLTTWHYCUEEKR-QGZVFWFLSA-N 437.566 0.832 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508086955 ACZOFJYOQHJSJD-KRWDZBQOSA-N 447.540 0.049 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1515285066 AFYBHVWVJPJHTO-HNNXBMFYSA-N 445.549 0.765 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1516582118 NKFVOXYEZHDWNX-UHFFFAOYSA-N 443.508 0.308 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(=O)(=O)CC 1516592324 NVVQKVRRSVYFLM-UHFFFAOYSA-N 448.553 0.347 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1540884280 MSNPHDOSIZNWSU-VGOFRKELSA-N 449.552 0.994 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545910809 KAPNBRZAKWENJB-ZPHPHTNESA-N 445.524 0.950 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1554504348 BKBXFEHLZQEGPH-UHFFFAOYSA-N 448.549 0.998 30 10 ICEE C#CC[C@@]1(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557881106 GEUTVYOHCKQQQG-QFIPXVFZSA-N 434.537 0.976 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1588029177 DSOYWZAXLDJRFZ-HZPDHXFCSA-N 428.580 0.853 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064216 CYHLTKPHNVCPCL-SFHVURJKSA-N 449.577 0.496 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1594784204 ULTIUIGJJWHFOA-FRQCXROJSA-N 443.570 0.865 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1689965654 ALTZSUHCSKAWFF-QGZVFWFLSA-N 437.566 0.887 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689982356 LHQQROGIJFHPRU-LPHOPBHVSA-N 426.539 0.593 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689988018 HNVWJIOZWWSDPJ-WNNBVUDTSA-N 448.574 0.663 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705491057 WZYPDCOUEFSMDH-CQSZACIVSA-N 443.533 0.541 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1705612419 GSZMUQRSEAJSPY-INIZCTEOSA-N 442.611 0.119 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)CC1 1705639961 ZUMMONHZCKXPNZ-RBUKOAKNSA-N 434.610 0.810 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705894679 HGWBYUNSPSEGAE-AWEZNQCLSA-N 447.521 0.241 30 10 ICEE COCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1730800818 WBZPWPXZYCIWML-HNNXBMFYSA-N 434.522 0.462 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1740620660 GJBMMDSYFCZFPK-AWEZNQCLSA-N 431.522 0.134 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740992399 PCMNXEDFPYXQME-BZUAXINKSA-N 446.595 0.642 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740995696 VDMASPCDFMRIRA-OAHLLOKOSA-N 447.565 0.906 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748771193 IOLXFZRJTOLISB-AVRDEDQJSA-N 432.569 0.942 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748823819 BYVCSKBUIFZFIE-KRWDZBQOSA-N 446.533 0.980 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748855472 BCCLBQBFDZUWQH-NRFANRHFSA-N 439.497 0.351 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCSC2)CC1 1749008618 FENMBUYOAJFQJD-HXUWFJFHSA-N 429.550 0.512 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749736918 SMYHBXSCYPOLFQ-KRWDZBQOSA-N 448.524 0.823 30 10 ICEE COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771083328 RSRJDROJMRTOGV-OAHLLOKOSA-N 427.509 0.895 30 10 ICEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCS(=O)(=O)N2CCOCC2)cc1 1851230293 JSXACTPVTIPJNH-LJQANCHMSA-N 425.507 0.274 30 10 ICEE Cc1ccc(C)c(OCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856918753 GACFIVJYNLWHBV-KRWDZBQOSA-N 434.518 0.281 30 10 ICEE C[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282489802 GEDQSJKFMROUAS-ZDUSSCGKSA-N 429.348 0.787 30 10 ICEE C=CCOC[C@H](O)Cn1c(NN=Cc2ccc(O)c(OC)c2)nc2c1c(O)nc(=O)n2C 2328609051 WWSQFLBNKHWCBR-CYBMUJFWSA-N 444.448 0.559 30 10 ICEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 438594302 FFTUWYLLFMZQDH-PBHCIXSXSA-N 446.529 0.795 30 10 ICEE Cn1c(CCC(=O)N[C@@H](C#N)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 505911820 GVVMRMOKVSXIBS-KRWDZBQOSA-N 431.518 0.945 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC3)C2=O)n(C)n1 509217041 IWJMKOWBQBPQQO-IRXDYDNUSA-N 437.570 0.320 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 568487271 ORJSEUAOZMPSLC-DLBZAZTESA-N 442.586 0.344 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 603798962 PYLBEYMBGDDNSV-QGZVFWFLSA-N 443.500 0.590 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccoc2)c1=O 727418177 OFKSIIDKYUUQBH-UHFFFAOYSA-N 430.530 0.206 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729669379 NFMPPFUYPPYRRD-UHFFFAOYSA-N 437.525 0.719 30 10 ICEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1 761270110 GYICTJZCJXMGKN-HNNXBMFYSA-N 428.536 0.818 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C[C@H]1CCCO1 812274070 SWAINGCUXCYFKF-CYBMUJFWSA-N 449.483 0.565 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccc(F)cc1 814250520 SQTCPQPAMJFUCA-UHFFFAOYSA-N 433.415 0.749 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 814380048 RGZDZTDEHHKCEM-HNNXBMFYSA-N 448.588 0.432 30 10 ICEE Cc1nccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 918452758 HUHJRWWCKCUFQC-JJIBRWJFSA-N 430.490 0.853 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c1 1136282108 YOMWYSHTNUFZBU-VFHLLAQVSA-N 444.517 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1286779949 ACNAITPRFFNKMJ-UHFFFAOYSA-N 448.491 0.344 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1286788524 XZSBRAPHNLHYEF-YMAMQOFZSA-N 444.533 0.098 30 10 ICEE CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1286984682 GTOSQRBEVMWNFB-AWEZNQCLSA-N 426.481 0.816 30 10 ICEE Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290852812 ZNQKLFMGLYMIIC-VHEBQXMUSA-N 436.476 0.470 30 10 ICEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNS(C)(=O)=O)n1 1304478358 HASHFGLPFDYZIG-QGZVFWFLSA-N 444.565 0.764 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1305113953 AOCFYZMTLKGQLR-OAHLLOKOSA-N 443.533 0.519 30 10 ICEE CN(C)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1314632757 CVLNNTDDHHEMLP-AWEZNQCLSA-N 431.522 0.867 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1316102233 UULHCECSIMDODM-IRXDYDNUSA-N 440.570 0.820 30 10 ICEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1351791716 GTTUHMXZPIZZMN-UHFFFAOYSA-N 443.934 0.870 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359223021 YOHHAEDLXMEFMT-LSDHHAIUSA-N 441.558 0.037 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1359291478 RKPAECWZWUNANC-UHFFFAOYSA-N 427.513 0.324 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCNC(=O)C1 1447556330 WYVQLEOAUDTJLH-LJQANCHMSA-N 427.505 0.941 30 10 ICEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1471227832 ZBEONMQZZBLGGG-UHFFFAOYSA-N 428.449 0.955 30 10 ICEE CCN(c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1501648494 IGQFXDSWMBNYAG-IJYGLTAASA-N 448.549 0.770 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1507615823 BQLAXUYFAYOMNG-OLZOCXBDSA-N 439.460 0.648 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507626624 OHJSLUNEWUHUGI-AHRSYUTCSA-N 440.566 0.718 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C)C1CC1 1507992594 GLTQJKHCHPEWQL-CQSZACIVSA-N 431.584 0.663 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508136457 HAJOOHCIHMKTHD-AWEZNQCLSA-N 425.536 0.564 30 10 ICEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1555690808 UIYUFDAQOKMLLZ-SFHVURJKSA-N 448.549 0.998 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1587640416 RDZQGFOJPPAACW-QAPCUYQASA-N 447.565 0.578 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1595522435 DLVRGIZSMPYNHN-UHFFFAOYSA-N 441.536 0.514 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nn(CC(F)F)c3ccccc23)CC1 1628260863 URDLWVQZVWPLTG-UHFFFAOYSA-N 426.449 0.919 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2I)CC1 1632965631 DBIZIVJLOIFFLJ-UHFFFAOYSA-N 447.298 0.446 30 10 ICEE C=CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OC 1639558524 JZPAMHAKQHSUKK-QGZVFWFLSA-N 426.491 0.306 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2)C1 1645991795 VNADHYLZEQZRKP-PPXVZNSRSA-N 426.539 0.910 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)C2=O)cc1 1681300845 KNYQBUOKRNMAJA-CNNODRBYSA-N 427.505 0.579 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)C2)c(=O)nc1O 1681936143 CIPSSBKBIPBSNU-KRWDZBQOSA-N 436.472 0.621 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1683440605 DLHRYFRUBMXNTA-UHFFFAOYSA-N 428.518 0.936 30 10 ICEE CSCc1n[nH]c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1687631757 BXZOCRJOSHRCKO-UHFFFAOYSA-N 435.535 0.755 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1689993692 JPDCJGMRFWHQCA-WMZOPIPTSA-N 448.593 0.510 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1689994037 PRRDOHKITKALQI-INIZCTEOSA-N 443.595 0.187 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1690508047 ACTVFYPTTXELAW-JKSUJKDBSA-N 425.555 0.735 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1690958603 XXEVMFILIWKNHA-WOJBJXKFSA-N 440.504 0.964 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1696498650 RKZHDDGDXKTNBB-HNNXBMFYSA-N 448.505 0.732 30 10 ICEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1=O 1696874925 UBCMHUOGEJFONL-BFUOFWGJSA-N 429.506 0.477 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705516800 JBGIWWKBSJPIEQ-DLBZAZTESA-N 438.575 0.610 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CC2)CC1 1705631971 FJFWJHSUQFSFJE-UHFFFAOYSA-N 443.533 0.258 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)C(C)C)CC1 1705633766 YASQNBUVHFBWPG-QGZVFWFLSA-N 425.603 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)CC1 1705652533 CQKATCXWKOHGFX-QGZVFWFLSA-N 444.536 0.378 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1705940065 URQJSKCAMXUVEC-UONOGXRCSA-N 430.600 0.770 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1710972128 CKDAAFJNSVSGQS-IEBWSBKVSA-N 440.552 0.955 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC)C1 1722717815 DUNCJSGYHSITKZ-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCOC1 1730847860 YEEXKZPYWYUCOJ-LHSJRXKWSA-N 444.492 0.688 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1740958627 RYQMAACLTVAVJK-KRWDZBQOSA-N 434.504 0.730 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740962608 JEWZFJHWBJBTCY-UHFFFAOYSA-N 446.577 0.837 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccncc1Cl 1741945657 VSBQPHCLKBLKAV-DGCLKSJQSA-N 425.902 0.714 30 10 ICEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749475799 PQTUUMZTBZHLMR-HNNXBMFYSA-N 443.537 0.825 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760525017 QSIWLENGJXTBKW-ROUUACIJSA-N 431.585 0.960 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCOC1 1768997434 JATIPXHSRSSADF-SUMWQHHRSA-N 437.298 0.926 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1=O 1854195269 ZGOOEMIBWHKQAV-HZPDHXFCSA-N 432.912 0.412 30 10 ICEE CO[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108229724 VJGJHUZEXWBTMK-YJBOKZPZSA-N 427.454 0.892 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)n1 2267107892 RGPHOJOJLJUSLL-KRWDZBQOSA-N 440.357 0.318 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267174457 FFDXXUFJXAIQAR-OAQYLSRUSA-N 448.329 0.878 30 10 ICEE C#CCCN1CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286045198 MTVUEZAXUNUFQO-QZTJIDSGSA-N 437.518 0.471 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 522308599 YTCZEGIDGNBDSX-UHFFFAOYSA-N 442.564 0.355 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 559187520 VRRKOVREBIHOKD-ROUUACIJSA-N 434.541 0.359 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1S(=O)(=O)NCC#N 608868306 JFTPYWNGRBEGRD-QGZVFWFLSA-N 434.518 0.508 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)C[C@@H](C)O1 610775969 AJHRYVSKSQONHX-OKILXGFUSA-N 442.451 0.785 30 10 ICEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732467433 XCCYQENZVIYDKF-ZJYNUGOYSA-N 432.525 0.287 30 10 ICEE CCc1c(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 754348966 XNRJCRGCFVTVQX-XUSGNXJCSA-N 429.477 0.794 30 10 ICEE CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 919025486 YXFWXRRYDFFFDL-HNNXBMFYSA-N 426.495 0.998 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1cccnc1 1153865512 GUZDYPZANQKBFJ-AHCXZYCDSA-N 429.477 0.855 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1286509455 QSAMTJCSLVUKFY-GJZGRUSLSA-N 426.564 0.936 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1286553497 FFXRMQZCUORZCD-BXWFABGCSA-N 432.525 0.505 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1286820576 NPBPVQVOTHLNQE-CJNGLKHVSA-N 431.515 0.223 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1300018692 LGQVVMCXQIIKRZ-QZTJIDSGSA-N 443.529 0.761 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300478774 BDVFYXXGORABGX-CQSZACIVSA-N 436.563 0.856 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1300681515 SDMKZADNWAZKHL-UHFFFAOYSA-N 433.520 0.801 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)C1 1301566456 NTYBIFPWESTJFO-QGZVFWFLSA-N 432.525 0.431 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1=O 1301891528 PHYSSWIHXNTUAY-IBGZPJMESA-N 440.504 0.917 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1305973684 SCRFODKMJGUWKR-UHFFFAOYSA-N 441.557 0.947 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C[C@H]1O 1315109977 QETWJWOMGPJIOE-HMFYCAOWSA-N 441.488 0.982 30 10 ICEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1315756649 WBSSZPOFKZTCHK-UHFFFAOYSA-N 440.504 0.985 30 10 ICEE CS(=O)(=O)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316351346 LZYXCUMKFATLSE-WBVHZDCISA-N 438.554 0.020 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)CC1 1455114399 CYOSOQYZCKTXDU-CQSZACIVSA-N 449.558 0.569 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1ccc(Br)cc1 1464013186 MLKFTHHYNLMFDQ-GFCCVEGCSA-N 425.264 0.999 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1510296614 BCSMVMXYRUWBSY-QFIPXVFZSA-N 437.504 0.767 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1 1516183623 GGFGJJZXBWXTGP-XLNRJJMWSA-N 432.506 0.833 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)CC1 1539477651 UKWWVZAJYOICIX-LJQANCHMSA-N 441.580 0.927 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1539496895 JBFJXAKLPWKLBH-CVEARBPZSA-N 426.612 0.929 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1540889191 GZUFXVZCOQVBHT-LJQANCHMSA-N 428.541 0.624 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1540901419 CULVEFOTNMPDJO-ZDUSSCGKSA-N 430.556 0.149 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1540902192 CMVFAHUKZFTDLL-SJORKVTESA-N 425.555 0.878 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCOCCS(C)(=O)=O)C2)C1 1543884483 FVUIDIBVGITYGF-HVEKOLDVSA-N 429.539 0.951 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1555597065 GZFHKZKPMQOBII-FQEVSTJZSA-N 442.520 0.913 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588120348 LQBKOTYDUBLJHC-PKOBYXMFSA-N 441.561 0.956 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597154491 XVWDAPPLQGTHRB-DNZUHHBVSA-N 427.509 0.913 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1619913844 RNLZHJWQWIOATB-GOSISDBHSA-N 439.563 0.846 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1 1634782810 SWEBPFAGCSGURH-SFHVURJKSA-N 441.575 0.486 30 10 ICEE COC(=O)C1=NO[C@@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 1680778832 MZVZUWPNUXASGL-IERDGZPVSA-N 425.445 0.763 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689929962 IDLVLQAFJRTRKW-OAHLLOKOSA-N 429.568 0.065 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689930794 ZMYQPGAOEZHDCO-DOTOQJQBSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1689993586 HMRJZZVGLGEFQX-QGZVFWFLSA-N 443.529 0.781 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1690265722 TVBHWOAKTKSZMW-SFHVURJKSA-N 438.598 0.747 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1692554628 ILWDBUFUUXTBTG-ZZEZOPTASA-N 438.492 0.827 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN(C)S(=O)(=O)CC 1722386962 CZOKLMUVZREDEE-UHFFFAOYSA-N 434.566 0.649 30 10 ICEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1722412530 LYGRSFZAOYNIMQ-UHFFFAOYSA-N 442.545 0.916 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1722725012 BZDAVAJGPIHECK-UHFFFAOYSA-N 433.538 0.792 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1740623412 SUGYQXMRGJZMKL-OAHLLOKOSA-N 446.924 0.912 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)CC1 1740690739 MKBUJBSTPWITNR-GFCCVEGCSA-N 440.517 0.897 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748801945 KKCXQBABQIBHJO-INIZCTEOSA-N 433.538 0.248 30 10 ICEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749673944 QJRCRKXYBYOLOG-INIZCTEOSA-N 426.543 0.778 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1749740665 XKYSYHXXRNLWNS-DNVCBOLYSA-N 442.538 0.530 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749741203 SSPSODMBKQTKOK-ZWKOTPCHSA-N 439.582 0.889 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 1760440245 FGXWKDZZYFEKOZ-OAHLLOKOSA-N 441.558 0.039 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760528669 JPNATEHWFPOUSW-ZBFHGGJFSA-N 431.497 0.198 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760554146 SORZFAKSKKYUKK-HXUWFJFHSA-N 447.565 0.637 30 10 ICEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769331524 QDFDQPNLCIHNHP-JKSUJKDBSA-N 439.524 0.685 30 10 ICEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 1993252133 XAICISSSIMLBJC-ILXRZTDVSA-N 429.514 0.915 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629553 XMCWWRAZPBVKLF-JSGCOSHPSA-N 436.318 0.978 30 10 ICEE C(COC[C@@H](COCCCOC[C@@H]1CO1)OCCCOC[C@@H]1CO1)COC[C@H]1CO1 256758170 SOHMVTGXMYTRAT-MXEMCNAFSA-N 434.526 0.821 30 10 ICEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 546256612 QMKPXWHTYSNWAY-UHFFFAOYSA-N 448.487 0.606 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cn1 751825088 LLFQBDQATRPCDX-UHFFFAOYSA-N 432.571 0.988 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 772699563 BEDKHZHQMAVPCQ-INIZCTEOSA-N 426.516 0.207 30 10 ICEE NC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(F)cc1 920272156 VPBFKSQFJAYGEK-AWEZNQCLSA-N 432.477 0.715 30 10 ICEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)o1 1084330889 NJSUHRZRAZHEIA-UHFFFAOYSA-N 448.513 0.790 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)c1 1151133187 ORXHSALAABHNEM-OAHLLOKOSA-N 427.500 0.286 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CC1 1152967221 AWRWQSVBORPFBC-HDICACEKSA-N 434.562 0.521 30 10 ICEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@](O)(CC#N)C2)c1 1163162391 GTIVITNASCVXBD-INIZCTEOSA-N 446.323 0.864 30 10 ICEE C#CCN1CCN(C(=O)Cn2nnnc2Cc2cc(Br)ccc2OC)CC1 1188853085 FUAPSPYCNPYJBH-UHFFFAOYSA-N 433.310 0.812 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)CC2CC2)CC1 1286637405 DCRMBUSZSDEEPH-AWEZNQCLSA-N 431.584 0.870 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286769055 OPULRPCMTBHSAV-CYBMUJFWSA-N 434.588 0.325 30 10 ICEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358904182 YDYWOJGTDJPCES-INIZCTEOSA-N 429.525 0.147 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1358941526 NLNTVZPQIJPICU-UHFFFAOYSA-N 437.547 0.454 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1359240347 LTWASEGSGRYFEX-IRXDYDNUSA-N 426.587 0.965 30 10 ICEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359633932 ZXMYPYCDDLSZTC-SFHVURJKSA-N 442.568 0.739 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1493170899 UDCJKASSGMMXNZ-BBRMVZONSA-N 436.476 0.472 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507726650 JVXTVPQBRBWSCK-FQEVSTJZSA-N 442.612 0.182 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508081830 PYEZISUPWOIWFO-HNNXBMFYSA-N 435.554 0.351 30 10 ICEE CC[C@H](Sc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1)C(N)=O 1538765197 GFQJNRZLVCVWEE-KNHMANMVSA-N 428.561 0.438 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540862143 SGDDXCNSHMFHSD-AWEZNQCLSA-N 435.529 0.822 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1540893145 XZBAOJPMEJCPFD-JKSUJKDBSA-N 449.533 0.985 30 10 ICEE CN1CCN([C@H]2CC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1556298995 BWCHRTIRGIRBLG-CALCHBBNSA-N 433.578 0.790 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cc[nH]n1 1557639484 KCYCEGSDUQAAIE-UHFFFAOYSA-N 429.477 0.971 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1588045737 PPOMMULQAKSMOU-MRXNPFEDSA-N 444.517 0.809 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588098778 ASKLFEYYNULQSI-OAQYLSRUSA-N 444.513 0.585 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)CC1 1588967804 AYEZEUCKMPPUAK-GOSISDBHSA-N 442.524 0.270 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1589068974 GRXFOTFYZWHZGD-AWEZNQCLSA-N 441.579 0.017 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1595506700 JRGWWTHDYVGZEH-MRXNPFEDSA-N 442.520 0.785 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1595602235 HKDXREOHBXHKBP-QFIPXVFZSA-N 446.552 0.681 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1620026273 WZJNCGFJXTZIRG-HUUCEWRRSA-N 427.527 0.698 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1620354477 GFZFMPOCNAEGCQ-INIZCTEOSA-N 444.517 0.717 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)c1 1624911939 BPKXFUCLQKOHAB-QUCCMNQESA-N 437.475 0.945 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 1626082061 TZJSURFXLVXCIZ-UHFFFAOYSA-N 429.539 0.415 30 10 ICEE C=CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nn1 1630445805 OGRAIIBYXCLIJN-FVQBIDKESA-N 439.538 0.751 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)CC1 1667965078 IKRNDOADRQTOMH-UHFFFAOYSA-N 433.494 0.420 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689988181 KSDNARKPQNKKHW-KBPBESRZSA-N 434.547 0.555 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1690008983 SRQJCJYKVIKYDJ-UHFFFAOYSA-N 432.488 0.925 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1OC 1690076865 CLNQPQOGINNATP-YESZJQIVSA-N 441.554 0.122 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cn2)CC1 1690144277 SDLCUIWAPCFQJO-QGZVFWFLSA-N 425.468 0.777 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705497460 BCSQYENXVLLUOQ-FOIQADDNSA-N 428.518 0.524 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1705565826 WSDPLJZZSLINPE-ZDUSSCGKSA-N 440.476 0.292 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569704 JHMAAHAVHWJPBC-JWRCQZCYSA-N 447.586 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705632940 FTHBIPLIZBUEFM-MRXNPFEDSA-N 435.554 0.654 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722431932 QODSACXFKIFSGZ-BZSNNMDCSA-N 436.582 0.625 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1729222310 PJAUXSLUDKDWMI-HXUWFJFHSA-N 446.533 0.752 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1730760138 NIJCPFVMZQVQBK-MRXNPFEDSA-N 446.533 0.994 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740625021 LWYPCKCXUAHMHI-UWJYYQICSA-N 442.545 0.369 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740626572 VUMIVGNCLJSKQB-NQIIRXRSSA-N 447.561 0.678 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccs2)CC1 1740700982 PQSFGFQOSCNVGE-UHFFFAOYSA-N 427.534 0.985 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1740751479 KTNGPAVKMUYWSN-JJXSEGSLSA-N 440.570 0.536 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740947360 YRNNXUWGXIYGIL-KRWDZBQOSA-N 447.565 0.821 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1748719399 WWHXSLWVCUTEPJ-SJORKVTESA-N 425.555 0.887 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760272563 OMGHKGGEMADOLR-UHFFFAOYSA-N 442.611 0.548 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1761500211 HHSSFPPVJNDVAU-HIFRSBDPSA-N 448.505 0.437 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccco1 1771305127 UEDUFAQJALKUTB-ZOBUZTSGSA-N 430.465 0.754 30 10 ICEE CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854395092 JOVOGVKTSJOKAS-GOSISDBHSA-N 430.530 0.880 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2255606619 TWKXBLSKFFEQJZ-NWDGAFQWSA-N 437.306 0.136 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2255621861 RSKLBTXOLSBEHW-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE COc1ccc(/C=N/Nc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)[nH]2)cc1 21039650 DRQXDSWJALWKRL-DJKKODMXSA-N 441.477 0.695 30 10 ICEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 496536363 YWAPZASFNGQJIV-UHFFFAOYSA-N 430.505 0.729 30 10 ICEE N#Cc1ncn(CCNC(=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 569398591 GSCHLEHDRGOUFF-QGYXVZHVSA-N 442.479 0.745 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672405 MJXIROSQXJKYFD-UHFFFAOYSA-N 447.524 0.791 30 10 ICEE N#CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 731237926 RXHNKXXNQJKFMW-ZDUSSCGKSA-N 430.280 0.785 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749869288 LNHWYYQIIDISKV-OAHLLOKOSA-N 437.525 0.622 30 10 ICEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 768070585 YDZICOQDKXCPOB-SFHVURJKSA-N 425.489 0.605 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 774172247 NVLDOKLIRFSBFU-KRWDZBQOSA-N 439.559 0.803 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 802553499 NXTAMIGFHMJTRT-QLFBSQMISA-N 440.526 0.122 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 1136833513 SZVPNOOVDLCFFO-UHFFFAOYSA-N 431.518 0.610 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)s1 1151970748 RNKMDUDDZPXQJF-OAHLLOKOSA-N 427.548 0.651 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156675206 DBKUJHBVKSFOEH-LSOMNZGLSA-N 427.523 0.798 30 10 ICEE C=C(C)CONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1164455818 SUDACSNJQVKCOX-UHFFFAOYSA-N 425.507 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)CC1 1175523626 UCDKQXGTFWDSSA-CVEARBPZSA-N 430.571 0.928 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387673 TXNUGDYHDHNRRW-OAHLLOKOSA-N 430.534 0.946 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286785459 FYSJCRRDAFHGAV-HZPDHXFCSA-N 428.497 0.326 30 10 ICEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300391314 MIQIPRDNPNIECN-MRXNPFEDSA-N 438.488 0.523 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1300703188 BDAMGOTWPXQMHL-IBGZPJMESA-N 435.575 0.235 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301584606 BZDKXZFRAOPIDX-OAHLLOKOSA-N 431.584 0.664 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358956056 ZBXQYCOPOCGMQA-ROUUACIJSA-N 448.593 0.625 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1359028091 GZCITQCJEWCKPL-UHFFFAOYSA-N 437.548 0.922 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359508086 MZPQSOXUTGNYQM-PQORCFSTSA-N 427.509 0.818 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1360680884 KBJCOLZQCGUXRZ-RZAIGCCYSA-N 439.517 0.341 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccccc3)nc2C(=O)OCC)CC1 1474681447 HBXAUOZTSMRCNK-UHFFFAOYSA-N 431.518 0.634 30 10 ICEE C#CCC1(O)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 1477274827 AHPKXONYHAEAAM-UHFFFAOYSA-N 435.550 0.093 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507638945 HZMDAKUZUVVHGA-HOTGVXAUSA-N 437.591 0.780 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1507732869 YNKVAEGUTFKDOU-LSDHHAIUSA-N 429.493 0.360 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508074117 MJSLFGBIHCUNLO-SOUVJXGZSA-N 426.543 0.053 30 10 ICEE O=C1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1521472683 WACJKIPCVFWGBW-HMWBCQRISA-N 429.481 0.025 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1539538675 LLTRABPZJOJXMV-VQIMIIECSA-N 436.582 0.745 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1539632447 RZAOSKSLHSHLPG-VQHPVUNQSA-N 437.566 0.863 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540871584 OZJMKSRWYJKTIG-HOTGVXAUSA-N 442.524 0.482 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1540873578 CPMWQWLYPAFPTA-UHFFFAOYSA-N 429.569 0.714 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)C1 1540892322 JPCNINMYSQKFAG-HZPDHXFCSA-N 446.533 0.504 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1540917537 ZAOQOJLAXOEALW-HNNXBMFYSA-N 443.595 0.394 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 1542893223 NVNXUBCDTRBLHR-UHFFFAOYSA-N 434.294 0.928 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(OC)OC)CC2)ccc1F 1557439800 OMGZRZOUILQNMQ-UHFFFAOYSA-N 429.470 0.193 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1587860833 CALFVQSABPVYBX-SQNIBIBYSA-N 438.598 0.943 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588054666 PIXTXRMXODDDCO-SQNIBIBYSA-N 448.593 0.730 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 1588724425 ZNJFJDSSFLWENB-UHFFFAOYSA-N 449.559 0.628 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1619553816 DGHSUXUUBHJQLR-UHFFFAOYSA-N 435.492 0.725 30 10 ICEE COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1620079626 BKWMKBRYIIZABF-MRXNPFEDSA-N 442.542 0.014 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 1636475341 DIONHIOUAPDTBY-UHFFFAOYSA-N 435.424 0.618 30 10 ICEE CS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1663862325 AXNQWTLBOFSQKV-UHFFFAOYSA-N 436.313 0.991 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689988993 ZXNCCDMXNKDGEH-GOSISDBHSA-N 431.566 0.790 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690673608 YJIFKRSRYYHVJK-UHFFFAOYSA-N 438.536 0.904 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567139 UYEDGSASAINKGA-OWCLPIDISA-N 435.550 0.671 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705898143 BUEHJDOLZJINIX-AWEZNQCLSA-N 430.900 0.852 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705904754 XMLAXPSOUFNTOA-KRWDZBQOSA-N 441.492 0.554 30 10 ICEE CCNC(=O)N1CCN(c2nnc(COCC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1710343784 XIKWFYFOBCDTRU-ZCXUNETKSA-N 446.512 0.193 30 10 ICEE CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710905446 MGAUCLKZYBSUTR-WJOKGBTCSA-N 444.565 0.778 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1722372342 UVLLCESFSBNJBW-KRWDZBQOSA-N 433.538 0.031 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722381071 HLBKTUZNEPOEHC-MJGOQNOKSA-N 433.516 0.970 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1722385931 RCFQJJZEWGVYGP-OAQYLSRUSA-N 445.571 0.994 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722604226 WJQXELXELOZVFZ-JKSUJKDBSA-N 440.570 0.634 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1722728628 YIEZIKRVSIZPRW-UHFFFAOYSA-N 449.581 0.883 30 10 ICEE O=C1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1731226239 NXHGRHNRPNKPEK-MRCUWXFGSA-N 435.488 0.526 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740626575 VUMIVGNCLJSKQB-WIYYLYMNSA-N 447.561 0.678 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740978874 DKVDFTSPPFZVOV-GPMSIDNRSA-N 426.539 0.503 30 10 ICEE CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744674598 JJOHJNVDZNQABI-IAFNSTAXSA-N 436.538 0.770 30 10 ICEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1747623798 PSTBSEYTHVKBSA-FGTMMUONSA-N 431.518 0.980 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1748845792 AFSWXCCJMQCVPJ-GOSISDBHSA-N 425.514 0.595 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1749649953 DEXXMAJZIFSUFQ-UHFFFAOYSA-N 429.525 0.408 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749683042 HRMJEMXWDQQDIN-HUUCEWRRSA-N 426.543 0.197 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749832960 XZPPDOWCTLWDHH-JKSUJKDBSA-N 426.543 0.778 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1760522139 MJXDCIBCMLGNSF-HUUCEWRRSA-N 428.559 0.396 30 10 ICEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1761370554 DFOVLPUSOMJFGL-OAHLLOKOSA-N 441.492 0.288 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1=O 1771135522 CETMSLRYCYDGAI-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1772564662 OPZISBVHPLWCEK-INIZCTEOSA-N 443.570 0.676 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)CC1=O 1856351780 UARINKDHVISHMK-IAGOWNOFSA-N 437.562 0.297 30 10 ICEE Cn1ncc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829218 LACUQNHXXUTIFB-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)CC1(C)OCCO1 2282835211 QRNCRNDKFGNZRW-LBPRGKRZSA-N 430.336 0.182 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2334390636 GLPHIGOLBWVNCQ-DAXOMENPSA-N 449.313 0.660 30 10 ICEE C#CCNC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@H]12 8254713 AGQFZMHIHGIFNF-RYPNDVFKSA-N 429.420 0.508 30 10 ICEE biogenic C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 509010280 IGJRDBIZQHOMQD-LSDHHAIUSA-N 437.526 0.872 30 10 ICEE CN(C)C(=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 761553289 TVMWLARFRGSKSD-UHFFFAOYSA-N 435.550 0.128 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(S(=O)(=O)CC)CC2)n1 789183262 NRGRTGRJKUMVGP-UHFFFAOYSA-N 425.555 0.736 30 10 ICEE CCOC(=O)CON=C(C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc[nH]n1 1149573348 BZSLRONLGORKNX-JOCHJYFZSA-N 443.504 0.789 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc[nH]n1 1150366223 GKEMTEXROGXAPY-MJGOQNOKSA-N 443.504 0.693 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)cc1 1151871596 GWSJVKKGRRQDKL-UHFFFAOYSA-N 435.527 0.479 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1286541094 GTSGLQCEZNVYAC-CQSZACIVSA-N 427.347 0.949 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286819875 YNNBACQEDGCGHF-CABCVRRESA-N 438.554 0.325 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1301258134 LZWDJIDKXYYGCR-KRWDZBQOSA-N 449.581 0.833 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301425175 TZJPOVUNMUQOBZ-INIZCTEOSA-N 428.555 0.751 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1301478375 JTUVGDALOCYCTF-CQSZACIVSA-N 427.575 0.111 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1303340207 JIMVHZIFVBDJBL-ZPHPHTNESA-N 445.524 0.806 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 1313153500 YPQBZXWPFPDEMW-SJORKVTESA-N 428.461 0.590 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1316279735 CGBYDRIFPVBSRG-JYJNAYRXSA-N 431.497 0.730 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358929932 KYUCCKPCWZENLK-QZTJIDSGSA-N 448.593 0.336 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358965157 OYJCKYYFEWVCOK-MRXNPFEDSA-N 443.508 0.812 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)COC2)CC1 1359045475 IWFVKVRNSMQMRZ-INIZCTEOSA-N 435.550 0.183 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1359240361 MDVZULICISSHFS-OAHLLOKOSA-N 428.559 0.396 30 10 ICEE N#C[C@@]12CN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@H]1CS(=O)(=O)C2 1479344889 XQJBUHANZDSJCU-UWJYYQICSA-N 445.545 0.468 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1502439128 ZEERFKHSZBGHPI-VLGSPTGOSA-N 430.513 0.779 30 10 ICEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507593866 ILNZULHOGPAFKL-UHFFFAOYSA-N 433.520 0.812 30 10 ICEE Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510831565 YCCZNLNYAIJWQN-ZPHPHTNESA-N 425.449 0.699 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1539273540 WRTVSANFBGOITA-UHFFFAOYSA-N 443.559 0.892 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539626529 FAOQYRNXVPKMFX-VQIMIIECSA-N 429.525 0.955 30 10 ICEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(Br)cc1 1556781667 LJPSUWVWYJPNAG-CYBMUJFWSA-N 439.291 0.645 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1558362148 NBNQCKHQTSTPDT-MRXNPFEDSA-N 429.502 0.801 30 10 ICEE C#CCN1CCC(NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 1561939948 GSVBBQKHMUNSHW-UHFFFAOYSA-N 428.312 0.876 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1587990460 XVRJYMIQIVRDOE-SFHVURJKSA-N 443.533 0.799 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1611686103 AGFXCXLSIXTLSB-KDOFPFPSSA-N 443.549 0.441 30 10 ICEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1620532587 PAJBAINZYATRNG-UHFFFAOYSA-N 447.557 0.572 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NS(=O)(=O)CC)CC2)s1 1629999473 FDPXWQBTXUQJQV-UHFFFAOYSA-N 435.593 0.685 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc(C)cc(O)n3)CC2)s1 1645592010 OAOGMYJCIPLUHW-UHFFFAOYSA-N 437.547 0.908 30 10 ICEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 1654149231 ZPFBUNRNAQYHIG-FOIQADDNSA-N 430.530 0.918 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705652507 BURYSGUEFUXQOX-KRWDZBQOSA-N 446.577 0.708 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1705843527 HTLPNKFLPBDQLK-LBPRGKRZSA-N 431.469 0.873 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705912426 JPLABLWGKFZBLX-FUHWJXTLSA-N 440.504 0.794 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705928244 CEEDIAMDKOKWBK-GJZGRUSLSA-N 431.497 0.170 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1722368723 VIOJQVZVAFKIOY-MRXNPFEDSA-N 430.534 0.646 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722433557 ZYQVOUBGGJBXQQ-FDDCHVKYSA-N 444.580 0.989 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1740539382 PEUDKZCTNNFLFJ-AWEZNQCLSA-N 439.563 0.698 30 10 ICEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(C)(=O)=O 1741371468 AJVXSLWWOLMXHC-CQSZACIVSA-N 433.542 0.327 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccn2)CC1 1749730851 SSKPENMQQXQPCS-UHFFFAOYSA-N 428.522 0.991 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1751236521 HIELIQVEQDSIMQ-YOEHRIQHSA-N 446.533 0.863 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1760206157 SAZSIQJHVSUEPE-QGZVFWFLSA-N 433.534 0.731 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760259039 FZAUTOBBMJIGGW-VQTJNVASSA-N 443.596 0.480 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1761500182 GVTLADYJPSVHIF-UVFQYZLESA-N 446.533 0.451 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440379846 NBZZJZVAQCEJEU-MRXNPFEDSA-N 426.498 0.829 30 10 ICEE COc1cc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)ncn1 487511197 HKTUJGZZGAAPQV-GOSISDBHSA-N 435.488 0.990 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 603797804 HTWRTHYGDMWAON-AWEZNQCLSA-N 433.555 0.724 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 734813314 PPYDNDZWFFBTTH-DENIHFKCSA-N 426.517 0.498 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cnn(C)n2)C1=O 807936765 RRFFHMJZATZVOW-LRWZUSMTSA-N 444.565 0.321 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286389876 SBDRSVVGSGJMCR-IRXDYDNUSA-N 429.550 0.704 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286809780 LDAJJLDKSHTJJI-BZUAXINKSA-N 437.566 0.876 30 10 ICEE Cn1cnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)n1 1298863982 DXEQHSULYDGJEJ-SFHVURJKSA-N 430.469 0.967 30 10 ICEE COC(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1299440659 UMFUNXDQHBMWSC-WMQDPJMESA-N 429.481 0.959 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1300488768 WESPMIKGQTVRLE-LJQANCHMSA-N 440.529 0.846 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1301402409 HAMWOWXCVRLGPN-KRWDZBQOSA-N 435.554 0.880 30 10 ICEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301530922 ALBMKCAKAMWCAJ-KRWDZBQOSA-N 440.504 0.575 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1301817648 GEEBMGKSGJPAOY-QGZVFWFLSA-N 431.522 0.471 30 10 ICEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1337651099 UWEVGFVCXZLMQL-KRWDZBQOSA-N 438.506 0.705 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1358962917 ZBSLZCADMNZVGD-KGLIPLIRSA-N 445.492 0.180 30 10 ICEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCc2cc(F)cc(F)c2)c1=O 1459212037 RYQSDCLUOFPCMR-UHFFFAOYSA-N 434.399 0.818 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1504936631 BUKWKJXYCSUWGK-KRWDZBQOSA-N 441.536 0.736 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1507542724 SCZRIALDSNERQJ-OAHLLOKOSA-N 430.534 0.749 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1507616472 JTQDSCBHWONSTA-CQSZACIVSA-N 427.918 0.231 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508078385 YDTXOSSOPPVSDH-UHFFFAOYSA-N 441.536 0.893 30 10 ICEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 1517401152 CSNURLPFFQJNSG-UHFFFAOYSA-N 441.521 0.512 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1517630539 XMKMYWFIKJPLJT-WBVHZDCISA-N 443.533 0.328 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1OC 1518166439 IDFPTPCDBNTYRY-HRAATJIYSA-N 428.493 0.758 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539205407 IGOITXGIAKKNBC-MJGOQNOKSA-N 439.607 0.421 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1540863183 QUUDHZXRRUDWNR-GDBMZVCRSA-N 440.570 0.443 30 10 ICEE C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1556292965 HHRWVRSKVDUNSU-CQSZACIVSA-N 445.501 0.970 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1562197847 VKOFZWGAMVISJC-LJQANCHMSA-N 438.506 0.242 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588029215 FDFWROQXTKQDPQ-LSDHHAIUSA-N 431.584 0.561 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1588647543 WURMXGNZWQKAPU-HOTGVXAUSA-N 443.595 0.593 30 10 ICEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593924059 WSQALBDODWBYPO-CYBMUJFWSA-N 434.859 0.896 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1595603050 WHLASDIECKLKNE-JOCHJYFZSA-N 448.568 0.973 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1596813807 OEXWUHJQPYBXPC-ZDUSSCGKSA-N 435.510 0.637 30 10 ICEE CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)OC 1614407230 HWIIPNVDVLNNNY-IIDMSEBBSA-N 444.533 0.868 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1620169162 HDCLNSXUAMVFDR-MRXNPFEDSA-N 429.506 0.177 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)CC2=O)cc1Cl 1638735995 DKNHLFLMBNXJTQ-CYBMUJFWSA-N 441.879 0.991 30 10 ICEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1645146093 GYBHTVCVQCXVPN-YWZLYKJASA-N 435.502 0.653 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Br)c2F)CC1 1662587274 BNDAYQHGTULCKK-UHFFFAOYSA-N 436.278 0.783 30 10 ICEE CN(C)CC#CCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1684872027 WWKWPHBKAOUPMN-UHFFFAOYSA-N 436.557 0.551 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC)C2)CC1 1690144008 JBVQDDQULOADHI-WMZOPIPTSA-N 427.553 0.537 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1690237303 XNEDEIOMICPQNW-SJLPKXTDSA-N 434.541 0.693 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCNC(=O)C2CC2)cc1 1698488109 CRNNNRKMITVFFY-UHFFFAOYSA-N 444.517 0.490 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1705583248 TWGCQXOCCZERFX-MOPGFXCFSA-N 433.578 0.490 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)(C)C)CC1 1705632265 KZGLIEWJLYQWTM-UHFFFAOYSA-N 438.536 0.843 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)[C@@H](C)CC)CC1 1705633060 IJZXWGJCPFXQJQ-IRXDYDNUSA-N 425.603 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)CC1 1722448112 RUGGBPORAGUICB-PSCUFVCCSA-N 444.536 0.125 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1740623472 UVOLNQFADQADRN-MRXNPFEDSA-N 443.595 0.454 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748294061 IJCRISKJYQNXLR-AEFFLSMTSA-N 440.533 0.971 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1748751192 DARRRJUYYUFWID-CVEARBPZSA-N 428.580 0.997 30 10 ICEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1760847287 XTOKEPWHAJGLKF-CQSZACIVSA-N 429.481 0.897 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243703115 VATLIVLZEDSICH-JTQLQIEISA-N 428.320 0.473 30 10 ICEE C#CCN(Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)[C@H]1CCS(=O)(=O)C1 111191805 JFOASOXUHCZRHH-HNNXBMFYSA-N 438.575 0.929 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=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 428007631 XCYJYLMTALHUEO-NHWUILKBSA-N 427.526 0.850 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508919310 HCWOARGGXMUYNL-HNAYVOBHSA-N 441.554 0.571 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537395404 VBICKAYSHKCTIM-UHFFFAOYSA-N 426.498 0.170 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC2)CC1 550047684 KFOPGBRLLARWFV-SFHVURJKSA-N 425.537 0.725 30 10 ICEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CC1 732698640 CJXFBIMZEHWFJD-SFHVURJKSA-N 432.550 0.827 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CCN1C1CC1 732708543 TVOSDTLEMHHNNN-ROUUACIJSA-N 446.529 0.777 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 747337238 NRDCCSLGFWUREC-FUHWJXTLSA-N 430.530 0.679 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767884443 LTRSDWXHQSZWLP-UHFFFAOYSA-N 449.517 0.589 30 10 ICEE C#CCN(C(=O)NCc1ccccc1OCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 774195089 LRMZIYQRRGXXHK-IBGZPJMESA-N 435.546 0.730 30 10 ICEE O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C2CC2)CC1 853707216 YNMRTDUDQUCKBH-UHFFFAOYSA-N 448.545 0.792 30 10 ICEE COCCN(CC#N)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1170869901 FNGVMMCGWLXHJS-UHFFFAOYSA-N 430.914 0.771 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 1194096256 DLWCTIQEZWRHKV-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)c1 1286308655 BVPIGDMQKRJVCW-GOSISDBHSA-N 449.515 0.812 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1286429422 BFUBEZQNSOFYOO-QZTJIDSGSA-N 435.550 0.501 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286602223 VQWRXTJNHCZSIE-OAHLLOKOSA-N 433.513 0.482 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286776469 ZJQUJOGUSKYXNZ-CVEARBPZSA-N 426.543 0.150 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1298782399 UHRUTHAMYXYHPD-ZWKOTPCHSA-N 449.533 0.749 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300484664 UOYFLMAWWCYFSO-SFHVURJKSA-N 440.529 0.968 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301566679 AQKVYIVBHBANKY-KRWDZBQOSA-N 447.565 0.291 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1359297440 QIEQTOBLPMVVFJ-UHFFFAOYSA-N 437.508 0.711 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1456446169 WOXQUSMFBZIYMG-AWEZNQCLSA-N 447.492 0.838 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC1 1473873848 XLVMGZVTDDAMAC-SONOPUAISA-N 426.631 0.965 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508146606 ZUQHVTUERHWFGO-CVEARBPZSA-N 446.595 0.786 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1508273039 BQGSEVQSPOAAHT-JOCHJYFZSA-N 442.568 0.808 30 10 ICEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1517319770 HNZYOYJPAWSOIO-HXUWFJFHSA-N 441.517 0.699 30 10 ICEE COc1ccccc1-c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1518449488 LKJKZPVMCRHDCW-CZIZESTLSA-N 437.460 0.416 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540874260 ZTJSGUVDNQJZPM-STQMWFEESA-N 430.431 0.859 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1555752513 ACCZEFFPRXWEAH-XHSDSOJGSA-N 439.538 0.698 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1=O 1585333635 JJZNUPUTDKTPJI-UHFFFAOYSA-N 430.421 0.262 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 1588199009 FEUZKIDOTDHEOE-UHFFFAOYSA-N 430.328 0.207 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595785381 YWGLASHFIAJYFS-IBGZPJMESA-N 432.506 0.972 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1596212469 GJTKZPFWLOPYGV-DZGCQCFKSA-N 432.506 0.750 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(I)ccc2N)CC1 1615209949 YHJZMBOYYIIXNU-UHFFFAOYSA-N 440.285 0.771 30 10 ICEE CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1618843680 HFYANKAODJMGED-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1621673127 CILQPWMAZAPOOP-AWEZNQCLSA-N 426.516 0.182 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1623783796 OEMXFSSIHVVXHT-KRWDZBQOSA-N 437.541 0.577 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1631358323 GXCSZUBFNOHNCM-ZDUSSCGKSA-N 432.424 0.754 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1673397841 BRRBGMHKSUEHPP-SFHVURJKSA-N 443.547 0.915 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689978550 YBGWSLHFIULRLR-ZACQAIPSSA-N 437.566 0.594 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1697617570 CTDOZSCVQXCUEY-MRXNPFEDSA-N 442.476 0.453 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705568245 JRDAQPXFPSWUNG-INIZCTEOSA-N 445.549 0.117 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)OC)C1 1705934780 WYLUYCAGPBJIGF-UONOGXRCSA-N 425.511 0.219 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1705940063 URQJSKCAMXUVEC-KBPBESRZSA-N 430.600 0.770 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1731184157 BPKZAXJMOFYZGB-QGZVFWFLSA-N 427.490 0.581 30 10 ICEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740805419 PUOALJZKVGYBEK-AWEZNQCLSA-N 446.895 0.862 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741129609 FYQBXAUSTSNGKN-KGLIPLIRSA-N 449.537 0.883 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC(=O)N1C 1743319376 HWSIQIRSTWHERC-AYOQOUSVSA-N 440.504 0.936 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748802451 QFKRWGOVGPJHDW-BBWFWOEESA-N 437.566 0.858 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760185658 AOQTVBGAXXUODN-INIZCTEOSA-N 445.611 0.431 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1760316054 LSDQEUGROUITCC-YCPHGPKFSA-N 426.543 0.148 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(C)cc2)C1=O 1854241585 OOOQWJWDYTYVLV-QZTJIDSGSA-N 433.530 0.615 30 10 ICEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1891425851 QIZFRWXKWYGYIL-CYBMUJFWSA-N 427.442 0.563 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCN1C1CC1 732706461 KLNCYWVNUCZETK-FQEVSTJZSA-N 438.532 0.521 30 10 ICEE COC(=O)CCN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1152128860 PFWNQCYAYBOVSJ-KFWWJZLASA-N 443.522 0.572 30 10 ICEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1176832802 JDFWTSZPVBXFQH-KRWDZBQOSA-N 433.530 0.778 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286336976 SGBKGGOGJNQDMD-IBGZPJMESA-N 441.536 0.971 30 10 ICEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286666248 HTYCBYYQWUAPFB-OAHLLOKOSA-N 429.525 0.263 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CC2)CC1 1300725900 LIJCCZQCALXJCU-IIBYNOLFSA-N 449.577 0.307 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1F 1304001336 BTPHIZDEYRQHMH-GUYCJALGSA-N 427.479 0.300 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1359306236 ZPXSURYFSNMUTJ-IERDGZPVSA-N 429.525 0.960 30 10 ICEE COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CCC1 1456387670 BJONNHMRMOXNAM-YCRPNKLZSA-N 449.529 0.922 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504604407 DZPLALZFXKUNOA-HOTGVXAUSA-N 428.472 0.807 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1507540504 ZSDISFDXQBAARH-RHSMWYFYSA-N 447.517 0.846 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1508072413 FSCWLVZAVBAHJH-HOTGVXAUSA-N 439.586 0.255 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1539579122 HPLRZOHFKWELEE-RYUDHWBXSA-N 449.375 0.759 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1540863256 SBEDEDDGVSKJPP-CQSZACIVSA-N 448.549 0.762 30 10 ICEE CC(C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541374265 FWTJBABRZHGGOD-OZBMMWBBSA-N 427.509 0.890 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CCO1 1554444628 QVJMNFANSHSPAX-SFHVURJKSA-N 428.493 0.821 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCCN(C)C)CC2)s1 1587051914 ZFELAIFXWRISMJ-UHFFFAOYSA-N 442.607 0.671 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC#C[C@@H]3CCCCO3)c2)CC1 1648586344 JVUOTKMJCVHHJV-IBGZPJMESA-N 433.530 0.842 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)nn1 1683483168 QFEWPPBKGKSLNM-UHFFFAOYSA-N 445.505 0.175 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1690102257 GWISSHSBFNSPFB-GOSISDBHSA-N 430.553 0.960 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690508235 DKMWTQUITMXKSY-HUUCEWRRSA-N 425.511 0.414 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)C1 1690700274 PWYQCYFIRULKKT-OKZBNKHCSA-N 439.582 0.682 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690746602 DTZWJWOUUVEWHA-LSDHHAIUSA-N 425.580 0.910 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705642096 GXHSVSFRCITHSG-UHFFFAOYSA-N 449.559 0.954 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705935995 HOXODNMQCFITAP-OAGGEKHMSA-N 442.538 0.481 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1722398354 WPAZYWKAJJOLAK-IBGZPJMESA-N 433.516 0.972 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCOC)CC1 1722566359 QEDQVPPNAGDSAD-APWZRJJASA-N 443.570 0.555 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1740554342 XXXVEWJRSUDYGC-DOTOQJQBSA-N 425.555 0.886 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1748752442 XKIZQTFUSQAFFT-DLBZAZTESA-N 425.555 0.886 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1749712938 NHRQHQFXIYLIKU-JONQDZQNSA-N 429.518 0.923 30 10 ICEE CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764900879 VBXWVCWSBWPBMD-VHEBQXMUSA-N 444.540 0.951 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1771358911 UERGZHKKZUNYSZ-UHFFFAOYSA-N 437.547 0.447 30 10 ICEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1851728651 OODAFEPDTDSEAT-GOSISDBHSA-N 425.938 0.945 30 10 ICEE C=C[C@@]1(O)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270522115 MGJCILLYVLHSJV-QFBILLFUSA-N 426.491 0.797 30 10 ICEE COc1ccc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)cc1O 105378414 KTLWWVJTGNVBDO-CNHKJKLMSA-N 443.449 0.390 30 10 ICEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 111001526 ZLEAILBFBTWVLC-MRXNPFEDSA-N 443.510 0.896 30 10 ICEE C=C(C(=O)OC)[C@H]1[C@H](O)[C@@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1OC(=O)/C(C)=C\COC(C)=O 252463724 WTHXAFPDZHTOOX-QZLIDITRSA-N 438.473 0.864 30 10 ICEE biogenic C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 481789813 QFONLZXOZIYIOM-HKUYNNGSSA-N 433.578 0.854 30 10 ICEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1 483472882 HTSAXDUFXZWWIS-AWEZNQCLSA-N 430.490 0.820 30 10 ICEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 492782240 GCGVOUGOGMGGME-KRWDZBQOSA-N 442.607 0.846 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC)C1 508886495 BDFNIRLWLYXKIE-IAGOWNOFSA-N 426.587 0.965 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn3ccccc23)c1=O 729670421 FQJTXOUCYNCZQT-UHFFFAOYSA-N 448.552 0.411 30 10 ICEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n(C)c2)C1 732155746 DRIXQCJLFJSZEE-AOMYARPXSA-N 449.533 0.702 30 10 ICEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732666159 JMKVQUSBAZXQAY-JXFKEZNVSA-N 431.518 0.487 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCc3ccc(C#N)cn3)ncnc1-2 780409126 BOGBDEMWRGOZBY-UHFFFAOYSA-N 430.270 0.677 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 791209852 PZFMFUINEWEJPS-MRXNPFEDSA-N 430.461 0.782 30 10 ICEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1nc[nH]n1 1084166324 GXWINVRLRRWGEQ-UHFFFAOYSA-N 433.370 0.916 30 10 ICEE C=CCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@@H]1CCS(=O)(=O)C1 1125953887 LHMJNWFZQKHAMB-LSDHHAIUSA-N 429.539 0.656 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 1143201998 CMBQRYNNENPNGS-INIZCTEOSA-N 434.561 0.171 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)C2)c(=O)nc1O 1159489508 DSKBVFLJNOJFHC-OAQYLSRUSA-N 441.419 0.955 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 1228118541 YENYOBJZIVEZJM-OAHLLOKOSA-N 442.563 0.336 30 10 ICEE C#CC[C@@H](COC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1230736356 BKYXEQUGBSRPJC-KRWDZBQOSA-N 438.550 0.485 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1286403251 KVGKNJNWWRETKX-OAQYLSRUSA-N 442.497 0.339 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCCC)CC1 1286663266 JTYDDRBHVKNCCS-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286781333 QKTXDYCWJINIBN-AWEZNQCLSA-N 426.543 0.122 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1286796402 RSRLCWKSEARVRI-GOEBONIOSA-N 448.549 0.813 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)C1 1286801564 ZRAOIPOURPNJDT-VBQJREDUSA-N 431.584 0.538 30 10 ICEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294613722 QBIWJBFQPMFGCB-INIZCTEOSA-N 447.521 0.556 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCN(C(C)=O)CC2)CC1 1300712090 LTSBJPLRGOYFGJ-GOSISDBHSA-N 443.596 0.922 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300764244 UYUGYPJZBCBCRU-LSDHHAIUSA-N 441.579 0.824 30 10 ICEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC)C1CC1 1359249484 CNDUBPJGHSNNOC-UHFFFAOYSA-N 443.533 0.896 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1469871785 GKTUXAYBNWHJNX-HXUWFJFHSA-N 444.513 0.848 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(COC)cc(C(=O)OCC)c2)CC1 1476649917 JANURKVGFLKPDW-UHFFFAOYSA-N 438.506 0.627 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CCO1 1505321476 BBDQKERIZBFHGZ-TZMCWYRMSA-N 425.902 0.459 30 10 ICEE COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1=O 1519189694 AFJDLJNSHRRSCB-BZUAXINKSA-N 438.554 0.271 30 10 ICEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1521154544 DXQOKCQCXOCAMG-IBGZPJMESA-N 436.538 0.080 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1539315133 FMRXBRGFSCHAEE-UHFFFAOYSA-N 432.506 0.360 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1540916751 GBLJAVBNPITGJT-CQSZACIVSA-N 425.580 0.910 30 10 ICEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1541809877 GISUQAPKFPTHAR-RHSMWYFYSA-N 445.549 0.941 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1557383734 DNSUXEYXCFSEEM-LJQANCHMSA-N 446.529 0.942 30 10 ICEE C#CCC1(O)CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1588766468 WJKIQBPZCSWHDN-UHFFFAOYSA-N 435.546 0.824 30 10 ICEE NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1625082291 DPLLEXDCJDEMRW-SECBINFHSA-N 426.676 0.860 30 10 ICEE O=C(NO)c1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 1626239518 RGLRKPZVBRYFOB-UHFFFAOYSA-N 437.449 0.896 30 10 ICEE C#CC[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1628850099 ULICGAHJUKKAJX-OCCSQVGLSA-N 435.424 0.118 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC1 1632966354 MXTPEPJTGIEMSP-UHFFFAOYSA-N 436.534 0.937 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(OC(F)(F)F)cc2)c(=O)n1CCO 1644183824 OXFLYPXFOBCWQD-UHFFFAOYSA-N 426.351 0.397 30 10 ICEE COC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN(C(=O)OC(C)(C)C)CCO1 1645997709 KVDMUXZEXLNCEW-GDIGMMSISA-N 443.522 0.036 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1690020106 YUFIRQLSVOCAHZ-GOSISDBHSA-N 435.513 0.882 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690669711 MOFYXKFXHJUILV-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC)CC1 1705644699 ZLLUQWUGXNMPQK-UHFFFAOYSA-N 425.493 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)CCOC)CC1 1705647724 IXGCRWOZNVBLIY-IBGZPJMESA-N 432.569 0.716 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722369061 YCBCTVWMPUUFKI-HZPDHXFCSA-N 447.517 0.432 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1722621659 BGNZIEWDODGPQE-CVEARBPZSA-N 428.559 0.002 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722727391 IHOJIBMSZQSKQW-KRWDZBQOSA-N 438.598 0.574 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731188751 IDYJDOQADMEEQS-USXIJHARSA-N 441.467 0.441 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1740639876 GNCNDLBMWLRAMC-KSZLIROESA-N 435.550 0.356 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CCO1 1748206833 GWPFIRQYUWQKRI-OALUTQOASA-N 440.504 0.964 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CCO1 1748210842 WSVAKFZHQRBKRK-SFHVURJKSA-N 439.520 0.930 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1748671280 IEMQMORJAUKXMH-XHSDSOJGSA-N 425.555 0.884 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(CC)C(C)C)CC1 1748977214 FIQWYJXCOOZGGI-KRWDZBQOSA-N 425.603 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nncn2CC)CC1 1749010167 ONKPKHCHFQKXPG-KRWDZBQOSA-N 426.525 0.798 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1749457999 UWTJMHZGIWYWRZ-INIZCTEOSA-N 429.543 0.430 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1760206237 UKXZQABLTKDASF-ROUUACIJSA-N 434.566 0.024 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 1760330116 SPJRAFOEDCQBCU-OAHLLOKOSA-N 428.559 0.540 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760341499 GCZCVAVOVBZKCC-KPZWWZAWSA-N 439.542 0.279 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760564621 CVKJSGWZYXFMPF-KRWDZBQOSA-N 447.609 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1772660127 BCSDWBGZVMHLLY-UHFFFAOYSA-N 445.954 0.829 30 10 ICEE CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2)C(=O)C1 1858197926 DIJSVESATQWYKS-UHFFFAOYSA-N 434.499 0.967 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2247904679 PKNSZRFXDYBLGA-OLZOCXBDSA-N 442.347 0.663 30 10 ICEE CC1(C)OB(c2cnc(N(C3CC3)[C@H]3CCCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204873644 CSTZEOJPWUWKKL-IRXDYDNUSA-N 432.330 0.089 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCC(=O)c2ccccc2)CC1 434548806 XITURDIWDRQWRE-UHFFFAOYSA-N 426.498 0.864 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 508496446 ZAEBCPCFCMUSEM-INIZCTEOSA-N 436.542 0.305 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1=O 520165630 SDFKBLYZOYMUSQ-SFHVURJKSA-N 439.516 0.449 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 554340171 GCYJBICIHQWPBV-MRXNPFEDSA-N 438.529 0.800 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 729335916 XOCRTQROGLYPRO-BEFAXECRSA-N 429.498 0.111 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cn1 743728887 QVKIYQSXMLJATA-KRWDZBQOSA-N 442.541 0.804 30 10 ICEE C#CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H]1CCS(=O)(=O)C1 746151463 IRSHOWXMVLBOEX-QAPCUYQASA-N 444.513 0.185 30 10 ICEE C#CCN(C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774161076 CBSNEFJRSZSCNG-MRXNPFEDSA-N 437.518 0.542 30 10 ICEE CNS(=O)(=O)CCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 777049109 QKLQHPKEQNPFSQ-UHFFFAOYSA-N 429.520 0.441 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnn(C)n2)C1=O 782988950 ZKMFHZUUXXNMDE-OAHLLOKOSA-N 441.521 0.281 30 10 ICEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 790260351 MRZRGYTVFZYZEZ-UHFFFAOYSA-N 431.436 0.778 30 10 ICEE C#CCCS(=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 810785911 TYNSYQQHECXELP-VMJIZDNZSA-N 438.505 0.935 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3COC[C@H]3n3cc(C(=O)OC)nn3)cc2C1=O 811181625 LYTUJMFTKQVORW-HZPDHXFCSA-N 426.385 0.644 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)s1 1137114372 LBGKHISNSPTNNT-AWEZNQCLSA-N 437.547 0.719 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1 1286493273 NALLKLUUOLDXFL-MRXNPFEDSA-N 435.550 0.061 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286823828 YUVWSMJGMJIHKR-HNNXBMFYSA-N 439.563 0.482 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1298688865 BCGIRJDINDDVIM-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300535823 OBORHVPQHUAVEQ-LJQANCHMSA-N 434.500 0.856 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1300689215 SRTAHJZJONRMMK-NRFANRHFSA-N 445.545 0.259 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1359002813 NYBUBSNROKOLIU-FQEVSTJZSA-N 433.534 0.806 30 10 ICEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359135404 CHBHGKWFHDYNAZ-IBGZPJMESA-N 438.532 0.803 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359299992 QXIWDICHBVABHB-UHFFFAOYSA-N 429.569 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359330603 XGJZOLXZYOUWSD-QGZVFWFLSA-N 433.534 0.806 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1503272497 AFWZTZRMRCHSEJ-GOSISDBHSA-N 425.559 0.876 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508084411 BCIRXENZPSFPQQ-GJZGRUSLSA-N 447.540 0.882 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@]1(N2CCOCC2)CCSC1)[C@H]1CCS(=O)(=O)C1 1539205405 IGOITXGIAKKNBC-HKUYNNGSSA-N 439.607 0.421 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1539518196 WOBNTNNYGWFRHG-CABCVRRESA-N 426.568 0.716 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C1 1540892785 RIMFCJWFPKGQKX-YKTARERQSA-N 426.539 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540902189 CMVFAHUKZFTDLL-DLBZAZTESA-N 425.555 0.878 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1588228629 IGCTXYMNZMIRQQ-GOSISDBHSA-N 427.530 0.873 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1588848968 SPSSAXVDJVOIFF-SFHVURJKSA-N 443.577 0.301 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1589110435 VPVXWVRZDXWZAQ-QGZVFWFLSA-N 429.550 0.869 30 10 ICEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1593696839 ZLXZITYNLTUHDX-GOSISDBHSA-N 448.568 0.892 30 10 ICEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1595366712 KIQDHQFNYYYJFP-UHFFFAOYSA-N 440.504 0.647 30 10 ICEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618172048 XZJQUWQEZKWHBD-DHSIGJKJSA-N 425.532 0.774 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1619546658 BWUXZHQOQUJDCV-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1620638013 NEIXNIAQGJJXBN-ZACQAIPSSA-N 443.566 0.776 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(Cc3ccccc3F)no2)CC1 1638388797 SUICFHBYKVBMFW-UHFFFAOYSA-N 436.469 0.094 30 10 ICEE COC[C@]1(C(=O)OC(C)(C)C)CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 1655214238 GDWSNAOJEFRSHE-AVRDEDQJSA-N 438.569 0.738 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)OC2=O)C1 1656342905 DGDSETLVJUVPKL-IQUTYRLHSA-N 425.507 0.409 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 1670794955 DJGQDEVUCMMEMI-KRWDZBQOSA-N 434.566 0.402 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCCOC)C1 1690669923 SJNRNAOHIUDTPI-HNNXBMFYSA-N 446.508 0.940 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690982874 QDIJGQGPTGXNAT-QFIPXVFZSA-N 437.504 0.971 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1691003374 GNPJWJXCIZDRDM-YOEHRIQHSA-N 434.522 0.961 30 10 ICEE CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1696881328 DALFQEREGUVVEP-UHHPSXQGSA-N 429.481 0.325 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1698311525 BTGRGRVJULQMSM-UHFFFAOYSA-N 427.494 0.190 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1705565576 HPTZQFXTGQUREQ-MRXNPFEDSA-N 438.579 0.421 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1707952530 NEFDKSNVHRPUMY-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2-n2cccn2)CC1 1722429438 MATKHHDUUXBDOB-UHFFFAOYSA-N 433.520 0.801 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC2CC2)CC1 1722442145 ZAUSQIAJAGAKOP-UHFFFAOYSA-N 441.536 0.006 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCn2ccnn2)CC1 1722449382 QQKWMDXTLNWWPZ-UHFFFAOYSA-N 433.520 0.912 30 10 ICEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740713351 DHLFCSCBBBTCLM-QGZVFWFLSA-N 435.513 0.330 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740958391 OGJZAKJREPFFPV-AWEZNQCLSA-N 427.465 0.087 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1748824055 HYUDCGLGBSVXTE-HUUCEWRRSA-N 434.522 0.944 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1748891813 GODAKGSZYTWUQB-MOPGFXCFSA-N 433.578 0.611 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749663985 CQPMZEQGJXUQPQ-INIZCTEOSA-N 438.536 0.431 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCO)C1 1750211211 GFHMVFMGPSHZKO-PBHICJAKSA-N 430.506 0.216 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751232607 IHTPCWSRFFGWAW-OCCSQVGLSA-N 437.526 0.951 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760205712 IBLOGGONEYGBKR-GUDVDZBRSA-N 433.578 0.752 30 10 ICEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(=O)C2)C1 1855006319 KIABJGZGDQRYIO-WMZOPIPTSA-N 439.582 0.095 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632751 QWUJXFYOXQHVPS-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CCC2(CC1)OCCO2 2282351042 VTFGWDMKHAKTSW-UHFFFAOYSA-N 427.332 0.683 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CCC3(CC2)OCCO3)n1 2282507258 DZZUVXWZNYBIFQ-UHFFFAOYSA-N 427.332 0.683 30 10 ICEE C=CC[C@@H]1COC[C@@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344312126 JDYXTERSBJQQFM-IKGGRYGDSA-N 426.491 0.965 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462767423 XTZBGOBNBSKQHU-AWEZNQCLSA-N 447.492 0.912 30 10 ICEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506676118 JZXBXYIYHXUMBE-DLBZAZTESA-N 431.541 0.242 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537394830 QDUZEZGXRWZEIF-UHFFFAOYSA-N 442.566 0.886 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(CC#N)CC3)cc2)CC1 543827602 XTHDQQMBSYHQCK-UHFFFAOYSA-N 433.534 0.713 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 603799782 TVPXCUBONOUIJG-INIZCTEOSA-N 428.514 0.140 30 10 ICEE N#C[C@@H]1CN(C(=O)CCSCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 732652281 UDCBBKOTTCOOML-WOJBJXKFSA-N 444.605 0.897 30 10 ICEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cn1 732795353 CVQNYTPKEUUDRY-INIZCTEOSA-N 427.530 0.648 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cn1 749856982 RIWGQQQDXPMACA-CQSZACIVSA-N 427.530 0.334 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cnccn2)cn1 774583998 WEQFGPFVADQNDZ-KRWDZBQOSA-N 444.565 0.935 30 10 ICEE CC1(C)CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 785232481 MNSMYBJXFFPLBB-INIZCTEOSA-N 435.502 0.892 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)n1 788850553 QUVUNZFFKZLZPZ-UHFFFAOYSA-N 430.509 0.929 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1134293553 AABSLUVOJYPNHA-JKSUJKDBSA-N 434.474 0.035 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1251775203 OBDDRKLIKKCPIP-ZZEZOPTASA-N 432.502 0.730 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@H]1CC 1286783916 QADJVWCOKLIBNP-OAHLLOKOSA-N 426.477 0.733 30 10 ICEE CCOCc1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1297164132 LABNBILTKZUEOM-VXPUYCOJSA-N 445.524 0.788 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1300465794 QKXUTTUQMMVALH-ZOBUZTSGSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1300487519 KIKHJMLUYGVHMJ-YESZJQIVSA-N 431.518 0.507 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301502473 JCTLDJOKBMUAKF-GOSISDBHSA-N 431.585 0.912 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1304004962 AFEXTXACDLJWLU-MRXNPFEDSA-N 441.492 0.964 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(C)(=O)=O 1316293109 GOEYZMHIAXLTOQ-XIRDDKMYSA-N 438.554 0.223 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(C)C 1358994200 HKAARIUAPWLQPF-SFHVURJKSA-N 437.566 0.889 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1359010684 WMTXWSHAJUVUJW-GOSISDBHSA-N 438.598 0.947 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1360301162 MEGAFPUFOKARPS-KRWDZBQOSA-N 440.508 0.389 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 1470194680 YEOWVMUCIOMRSS-HOTGVXAUSA-N 433.534 0.148 30 10 ICEE C[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1493587276 DBKBFXIRKAEUSP-NCOADZHNSA-N 438.554 0.776 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1507868259 GWDRFVSTKCIHFE-KGLIPLIRSA-N 446.961 0.455 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1539215430 BUEANLNYSLZXHD-QFBILLFUSA-N 436.538 0.093 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1540905915 XDPBBNGNYGJONZ-HOTGVXAUSA-N 446.595 0.644 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1555386076 KIZGSIDQWLNMQZ-SFHVURJKSA-N 449.533 0.730 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555818501 BONPKCGRTGSECN-IXDOHACOSA-N 443.533 0.522 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1558075676 ZPWNLTHIEROCNT-UHFFFAOYSA-N 441.307 0.311 30 10 ICEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNS(C)(=O)=O 1612597377 UTSRLGGPJLAEET-UHFFFAOYSA-N 434.526 0.590 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1617709552 PSTCFZJWVHXLLV-FQEVSTJZSA-N 446.533 0.704 30 10 ICEE N#Cc1c(Br)cccc1OCC(=O)NCC(=O)NCCN1CCOCC1 1628112077 GCKCWPZTCBSGRR-UHFFFAOYSA-N 425.283 0.264 30 10 ICEE N#Cc1cnccc1CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1642207451 RAZXZSONVCHWDP-UHFFFAOYSA-N 428.518 0.691 30 10 ICEE COC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN(C(=O)OC(C)(C)C)CCO1 1645997710 KVDMUXZEXLNCEW-KYNGSXCRSA-N 443.522 0.036 30 10 ICEE C#CC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1C(=O)OC(C)(C)C 1648790709 RJQZPRMPOXKOIQ-OAQYLSRUSA-N 427.461 0.997 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 1650846357 TUIYWQOPRVHNHH-QGZVFWFLSA-N 433.596 0.370 30 10 ICEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1684655210 ZELFEDGAQXXASK-ZJOUEHCJSA-N 432.546 0.776 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCCC)CC1 1690113407 IVUJGPJPURVQRZ-QFIPXVFZSA-N 432.569 0.990 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690288074 GSGIJDSCHOBTBB-XHSDSOJGSA-N 438.554 0.244 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1690622270 LUHIEMZDECTAIC-MRXNPFEDSA-N 428.555 0.751 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1690904119 HBTJDNIPJWBONK-LJQANCHMSA-N 437.504 0.780 30 10 ICEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1697975336 GJIXMFSYGJZMGZ-PBHICJAKSA-N 430.506 0.480 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)CC1 1705639357 MFQJBDFEIFGCSU-MRXNPFEDSA-N 432.550 0.843 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705900852 RTFJIDJXIHYLFF-GOSISDBHSA-N 439.568 0.642 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1722296733 UQPZBKNBTQMDOH-NVXWUHKLSA-N 435.554 0.664 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1722703170 WQQIRDHNNLACME-QFIPXVFZSA-N 442.495 0.940 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1722730414 QWDDDCKVNZUPGN-MRXNPFEDSA-N 438.554 0.106 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1722854293 PMMIXKMWMCBDPX-QGZVFWFLSA-N 437.508 0.349 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)Cc1ccon1 1740635182 JXLNYPHTCREMOJ-UHFFFAOYSA-N 425.474 0.521 30 10 ICEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749218366 MUQCYBSJAJMIMI-HNNXBMFYSA-N 445.911 0.733 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1751845100 NIYMIBUVPUKGJP-IFXJQAMLSA-N 429.460 0.570 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)CC1 1760265079 NHAPJDLKITWPLQ-SFHVURJKSA-N 444.536 0.285 30 10 ICEE O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)ON1C(=O)c2ccccc2C1=O 1772790456 CPUKRYDDIBDADE-UHFFFAOYSA-N 443.437 0.846 30 10 ICEE Cn1nc(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 2255604295 DRLXOZYAPORZON-ITGUQSILSA-N 433.318 0.709 30 10 ICEE C=CCn1ncc(NC[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2358563715 KQQHALXPALBUEU-SCRDCRAPSA-N 445.314 0.945 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480930178 ICJVBADNMFYXMS-HNNXBMFYSA-N 447.513 0.094 30 10 ICEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 548247010 KAEOBFYAAXDXIB-LLVKDONJSA-N 426.394 0.839 30 10 ICEE CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 581203005 BBMWJYNFSDYYAT-UHFFFAOYSA-N 431.522 0.536 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 729330799 FFNWGPFCIFYLRX-HNNXBMFYSA-N 428.532 0.403 30 10 ICEE C#CCCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 743691751 AMKBRPBIOTYPCF-UHFFFAOYSA-N 427.548 0.828 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)C1 749792622 ZJOSBWVYAZKNRO-MRXNPFEDSA-N 426.539 0.200 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2C1=O 916416183 LEMZVUHWERFWKI-UHFFFAOYSA-N 437.412 0.073 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(CS(C)(=O)=O)COC2)c1 1136281510 HIEWVIULHVJCND-XDJHFCHBSA-N 429.520 0.499 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1 1175515312 WSSLYKMRZXZBJN-UHFFFAOYSA-N 448.574 0.588 30 10 ICEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCC[C@H]1C#N 1196831705 MXKQMAFETVDTAG-FUHWJXTLSA-N 448.545 0.915 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286880446 QDFZRDDFDYCATM-VGVBMJIYSA-N 443.508 0.715 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1288825382 DINZKIFYARLQDR-KSSFIOAISA-N 443.549 0.177 30 10 ICEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1300381526 GRLRWJYHTHNFDQ-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N1CCSCC1 1300595695 GPQPRRHUPYKTIL-UHFFFAOYSA-N 428.584 0.254 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301508410 KHXRQUQIAKOCLB-UHFFFAOYSA-N 443.552 0.240 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1301589632 VBGOAEVHSGNPQD-INIZCTEOSA-N 437.566 0.879 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 1310844133 KUIJCRGPVFYFQH-UHFFFAOYSA-N 445.448 0.047 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CC1 1311397612 VDPIEFBTMKRMEX-HXUWFJFHSA-N 433.578 0.618 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(CCO)nc1C1CCOCC1 1328524365 LYXIEZFLDHYKJX-OAHLLOKOSA-N 425.493 0.782 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358961109 RTNXPANOJLWQBL-QGZVFWFLSA-N 440.533 0.728 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359039526 MHOGTGCIBFABQB-MRXNPFEDSA-N 430.475 0.833 30 10 ICEE CO[C@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS(=O)(=O)C1 1439405454 HQZIWBSDXGHMHT-ACJLOTCBSA-N 425.894 0.884 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507633564 TUHUVWDEOSKOHO-NHAYFPRASA-N 438.550 0.686 30 10 ICEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1507657068 NOIDJKSWHFLNAL-UHFFFAOYSA-N 442.541 0.912 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccc(C)c2)CC1 1507725792 ARBBMZCPJIXQJP-UHFFFAOYSA-N 449.559 0.894 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1508037435 BWYDECMXNYQUJE-LBPRGKRZSA-N 439.460 0.498 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539619767 HXKJUDQXUVGRSU-MSOLQXFVSA-N 432.525 0.075 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540872892 FDTSDEBIVRUWIR-IBGZPJMESA-N 436.520 0.976 30 10 ICEE CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1554508703 BPYUBXGVUUCMKE-GOSISDBHSA-N 432.485 0.508 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)C1=O 1587334988 PPAGVVACAAWKIE-PMERELPUSA-N 435.462 0.317 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1587639487 MBEQWKGLNCSAEK-FUHWJXTLSA-N 438.598 0.943 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1588050913 XSBKIOLJRYMLDT-QGZVFWFLSA-N 433.534 0.938 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1595466238 HALWMDAJPSAYOT-UHFFFAOYSA-N 445.528 0.122 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(C)=O)C1 1595812408 SGWAJCZFOIYHJZ-SFHVURJKSA-N 432.550 0.970 30 10 ICEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 1616362116 CLCOEPRRQKIOHL-UHFFFAOYSA-N 447.293 0.352 30 10 ICEE C=CCOC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1634058480 FEPNDFCEYVZYDU-GJZGRUSLSA-N 427.498 0.753 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1648152448 DAHIRCPOVDYLQD-HIFRSBDPSA-N 442.563 0.277 30 10 ICEE C#CCCCn1c(CC2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1689935737 QQHRBLZCEBMLFV-UHFFFAOYSA-N 440.552 0.891 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690658910 DDIMVRZDQJRSLD-UHFFFAOYSA-N 443.556 0.164 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1690715127 DKANGKHJEPITAU-NSHDSACASA-N 427.499 0.335 30 10 ICEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1698028911 PJUVTZBUMVWTPE-RTBURBONSA-N 442.520 0.755 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)CC1 1705639794 WOEDVURSPHMGPU-RTBURBONSA-N 434.610 0.810 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1711273707 FQJWDIURAKQRIQ-UXHICEINSA-N 448.524 0.857 30 10 ICEE COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1711488272 ANOIMWBMDKISAU-OAHLLOKOSA-N 426.543 0.776 30 10 ICEE Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1724970338 GIJGSYYFBDGASE-CVEARBPZSA-N 436.542 0.555 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740581190 RRSKZBSXRYGVKS-UHFFFAOYSA-N 431.522 0.811 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1740631643 SXPHIEQSMIOYMD-OAHLLOKOSA-N 428.518 0.369 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740865767 VQWKUIVEGPYAPM-KRWDZBQOSA-N 438.598 0.747 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1740956330 OWXKTPIPYOWAGS-UHFFFAOYSA-N 442.520 0.987 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740965211 MUOATCVPHWUMML-IERDGZPVSA-N 447.540 0.177 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748717619 DVSUDVZTKPYGIT-CVEARBPZSA-N 428.580 0.997 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760190445 WLSSMUNLAMKXFD-PXNSSMCTSA-N 433.534 0.754 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1760206016 PCIDVPUPIGMCMP-KRWDZBQOSA-N 433.559 0.988 30 10 ICEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1760674756 HCKYXLSSVWPLDX-UHFFFAOYSA-N 439.524 0.536 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(CO)nn1 1767087704 FQZGMYBVBXHJBW-GOSISDBHSA-N 435.492 0.911 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255616803 RGAAZHPNRKPAHP-ZDUSSCGKSA-N 436.318 0.763 30 10 ICEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2255653768 NRKRNZICQBMIGP-TZMCWYRMSA-N 436.318 0.429 30 10 ICEE N#Cc1cc(NC[C@H]2CN3CCN2CC3)cc(NC[C@H]2CN3CCN2CC3)c1[N+](=O)[O-] 301793394 SCGXUVNWHLBQDX-OALUTQOASA-N 426.525 0.290 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 579177854 UOMGHMAPQYBIEE-UHFFFAOYSA-N 430.552 0.105 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604002226 ZTPARHJBZDAGLJ-HNNXBMFYSA-N 445.504 0.820 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732678943 OXDIRUJSRSCGNC-GOSISDBHSA-N 447.561 0.646 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)C1 760321780 KACYHGWLSSHHMO-KBPBESRZSA-N 434.522 0.962 30 10 ICEE Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1C 919587478 OBHSCQBMWUVMPR-UHFFFAOYSA-N 431.474 0.290 30 10 ICEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1116342541 PRFMRTCGDZHJIA-FOCLMDBBSA-N 426.882 0.847 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(c2ncc(Br)cn2)C1 1175117562 CEPOGHHOCGZDMJ-UHFFFAOYSA-N 436.291 0.904 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 1286758637 SSQXISFYTYXLOD-BBWFWOEESA-N 441.554 0.329 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286785858 KWXPEOXMPAHAFH-KRWDZBQOSA-N 437.504 0.494 30 10 ICEE Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290853018 UOXKHSMXZVIXQE-ISLYRVAYSA-N 428.497 0.451 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC)C1 1300874770 NWAFGPSFWHLCDS-VQHPVUNQSA-N 443.570 0.721 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301475747 XQYCGFTUXVRSMH-INIZCTEOSA-N 441.540 0.614 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1303837690 ZFRWBZVQJNPXFS-RLFYNMQTSA-N 444.533 0.773 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1312478810 BRHONJNTJBGJIT-UHFFFAOYSA-N 426.477 0.931 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1358941677 SPZDPFNRRMYFQF-QRWLVFNGSA-N 433.534 0.805 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1359010679 WIZUTRAPDKEBCI-GOSISDBHSA-N 438.598 0.947 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCSCC2)CC1 1359039990 DKBLXZRWVPWKSX-UHFFFAOYSA-N 447.609 0.431 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(C)(=O)=O)C1 1359323534 QYENCFGGGQPFBX-HNNXBMFYSA-N 426.568 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1468205739 QUHXBDOCANZYGI-SFHVURJKSA-N 449.533 0.099 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)o1 1473664146 REYJCASOHWFLJH-SFHVURJKSA-N 429.502 0.763 30 10 ICEE CS(=O)(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1505146770 NLXZUSVPLVIWEL-QGZVFWFLSA-N 434.522 0.568 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1 1507522190 UJONEOFNEVLRQL-ZDUSSCGKSA-N 429.510 0.225 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507634853 NSUITCDFIFDSJJ-PXNSSMCTSA-N 447.586 0.759 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539212825 YBCWWBVYHHLYMZ-QGZVFWFLSA-N 447.542 0.488 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539744545 PKIVHDHQTJOKIU-MRXNPFEDSA-N 440.570 0.730 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1540863186 QUUDHZXRRUDWNR-ZBFHGGJFSA-N 440.570 0.443 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540904350 MKTNSXUOCLXGET-DOTOQJQBSA-N 430.534 0.580 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1587988632 AFHZZVPJBVOISL-ZDUSSCGKSA-N 425.540 0.083 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1)C1CC1 1595058140 BOXKPNTXOKTAFT-QFBILLFUSA-N 441.554 0.571 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)s1 1631306367 WWXKNWOOJJTJPE-TZMCWYRMSA-N 444.531 0.708 30 10 ICEE CC(=O)NCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)C(=O)OC(C)(C)C 1654109315 FRBLPSJZMKIRGS-PKOBYXMFSA-N 437.585 0.847 30 10 ICEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1655164715 BXEVQRMJIWTVSZ-UHFFFAOYSA-N 435.546 0.694 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)OC 1671583147 YFFAINGNURWKEW-IXDOHACOSA-N 428.445 0.657 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689988182 KSDNARKPQNKKHW-KGLIPLIRSA-N 434.547 0.555 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1697017703 GJSFWDFFPYFJPW-CJNGLKHVSA-N 431.522 0.781 30 10 ICEE COc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1697522644 DNAMPFNGSAHCCO-ZZEZOPTASA-N 437.460 0.416 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCCC2)C1 1698312994 CYVNYBXPRQUYOS-IAGOWNOFSA-N 436.538 0.840 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1705930759 VFKMQGZWVIJOFD-CQSZACIVSA-N 447.521 0.241 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706625661 QIBVXMUMDZAKDW-ICFOKQHNSA-N 431.497 0.558 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1722295225 JPPVGAKTKQTAPE-AEFFLSMTSA-N 429.546 0.997 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1722681027 FQIRAGSEMORTEO-QGZVFWFLSA-N 441.598 0.930 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722706416 RILRPOMDAKSHLD-OAHLLOKOSA-N 449.533 0.791 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CCO1 1729680806 HWCUSLQKWLHNFV-SFHVURJKSA-N 449.471 0.677 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740572002 XOUUILUCLBJBJF-INIZCTEOSA-N 442.524 0.884 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1740625538 QVTQVYOVNBLRCO-RTBURBONSA-N 435.594 0.704 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740958784 UYDKJMGAWPZWRU-UHFFFAOYSA-N 429.569 0.982 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1748640177 QZEBUTHEEYLVFC-KBPBESRZSA-N 429.510 0.370 30 10 ICEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749809130 DBALNRMRZATCOW-VQIMIIECSA-N 438.529 0.881 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760191401 GSBHDPVUVPXUCF-SJORKVTESA-N 435.550 0.454 30 10 ICEE CCc1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763132676 XTEUCGJDJUQAPG-DVSFIDLUSA-N 429.525 0.668 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)[C@H](C)C2=O)CC1=O 1857095538 PNYQMVPQXPZNNG-ZBFHGGJFSA-N 437.493 0.749 30 10 ICEE Cn1cc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267500257 GBRWYEHPWXIZBE-GOSISDBHSA-N 439.369 0.923 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@H]3CCCN(C(=O)[C@@H](O)CO)C3)C3CC3)nc2)OC1(C)C 215694483 AJPAOYKZOMZSFC-YJBOKZPZSA-N 446.357 0.336 30 10 ICEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 442271757 OWXMNDAHPDSZLZ-SFHVURJKSA-N 428.489 0.539 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 480437346 KLBXDMWABSGMLG-DOTOQJQBSA-N 434.518 0.322 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 505009254 QGFKIRFZMQEYHL-UHFFFAOYSA-N 442.516 0.163 30 10 ICEE N#Cc1cc([N+](=O)[O-])c(N2CCN3CCOC[C@@H]3C2)cc1N1CCN2CCOC[C@H]2C1 553487537 ZDLNBIIIRMCYLE-MSOLQXFVSA-N 428.493 0.508 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749856562 UCCQIPJXAHYPST-HNNXBMFYSA-N 437.525 0.623 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 780205353 LVKJOJQIENIHKQ-LMMKCTJWSA-N 436.486 0.330 30 10 ICEE C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(S(N)(=O)=O)cc1 801552545 DVGFBSYXLWOJCB-HOTGVXAUSA-N 442.545 0.989 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)cn1 917798598 CPTSSGFAOMTGPR-UHFFFAOYSA-N 430.493 0.630 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 1213523076 VPGYQZYJUIGJSI-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286504109 OGBONCAJAYIITL-UHFFFAOYSA-N 437.595 0.905 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286607918 LZBHIUIZQKQAQL-HNAYVOBHSA-N 425.555 0.735 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CCO1 1286941448 NAGUUKKITDCPRE-LJQANCHMSA-N 428.493 0.557 30 10 ICEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1301003711 NVDHGKJFJCGFEZ-FGTMMUONSA-N 429.477 0.838 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1316356296 OYOCOPMLAYAJJL-UHFFFAOYSA-N 434.522 0.297 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1499162916 YMHUCZICBGWJEJ-UHFFFAOYSA-N 432.554 0.762 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1503264477 DTFLMOUODPQCQH-UHFFFAOYSA-N 445.549 0.767 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1504887878 FRGCAJMBPSPJPM-CQSZACIVSA-N 426.543 0.809 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508091371 KXOZDXMUIXKDSG-DLBZAZTESA-N 426.525 0.499 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1508144115 BFPURRZKCXLACG-QGZVFWFLSA-N 447.517 0.718 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1517628429 SOBOIVZPPQXALG-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCCCO)C1 1519561575 CFDCNUUZPLHKSI-MRXNPFEDSA-N 426.543 0.514 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1539415330 CQBXDFCEUJIGIC-BRWVUGGUSA-N 443.545 0.835 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1539473819 CIEMVCFRDMFFJC-XMMPIXPASA-N 447.543 0.849 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNS(=O)(=O)CC 1539538611 JWQKVFUUQSGRRC-WMLDXEAASA-N 446.599 0.210 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)CC1 1539891147 ZIPGJXOLVGWXCW-HZPDHXFCSA-N 431.534 0.998 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1540871401 KZUOBWHVKOYQQF-KKUMJFAQSA-N 426.543 0.148 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554405962 AIFIVJOSBOQNTJ-RPBSFSNWSA-N 427.509 0.719 30 10 ICEE CNS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1554511577 GAESRRASWPERFU-DLBZAZTESA-N 430.506 0.310 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)c1 1567797467 FYASKABJKWRZBL-UHFFFAOYSA-N 441.527 0.724 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)s1 1585603197 YQAKUNRGMFMFOV-UHFFFAOYSA-N 447.535 0.858 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1588140437 XKHXYCLUKVKKNG-WOJBJXKFSA-N 446.621 0.527 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1595516570 HHDKZELAJULLET-UHFFFAOYSA-N 447.517 0.989 30 10 ICEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H]2CCN(O)C2=O)C1=O 1628370029 IPVZPVAKMCCEBL-ZBEGNZNMSA-N 425.239 0.322 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1635696714 BDSUYPTZNSFKJN-SPLQCWDRSA-N 425.507 0.267 30 10 ICEE NS(=O)(=O)C[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1653069800 QKAQQTUPYABFQX-CQSZACIVSA-N 442.563 0.423 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)CC1 1663864519 XDINHQCPAZRDLL-UHFFFAOYSA-N 425.536 0.391 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1682790288 RKURPIZGMHHVHQ-UHFFFAOYSA-N 438.550 0.675 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689992773 OSTJKUKVSWRUKE-RXVVDRJESA-N 445.545 0.696 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690229328 SYQFBXBMZMNDEZ-OLZOCXBDSA-N 439.314 0.228 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690673119 OSTYOTWTZJNART-GOSISDBHSA-N 439.520 0.394 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1705571103 WQRZHQXRXNPDLE-QGZVFWFLSA-N 426.506 0.182 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1705598609 MKMNREOUBRAGOH-WOJBJXKFSA-N 446.621 0.669 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)C(C)C)CC1 1705633765 YASQNBUVHFBWPG-KRWDZBQOSA-N 425.603 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N(C)C)CC1 1705644462 RFOZHEPKDCTARE-UHFFFAOYSA-N 445.568 0.641 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705937697 BXCZGRMMBZDHFT-CVEARBPZSA-N 441.554 0.241 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1729680463 FEYHACRFTHESRS-DAESXHAQSA-N 426.477 0.308 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1740993652 GQBPHNUJVZZVGI-UHFFFAOYSA-N 437.497 0.875 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748820671 GTRQZKYCBPICOZ-QGZVFWFLSA-N 445.549 0.232 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCc2cnn(C)n2)CC1 1749017011 SRKBEDATAHUQRT-UHFFFAOYSA-N 447.547 0.991 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760189715 VUWHDMJVGZGWDQ-FUHIMQAGSA-N 438.550 0.952 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1760316052 LSDQEUGROUITCC-FMKPAKJESA-N 426.543 0.148 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1)C1CC1 1760476962 LRQRBXCAWCVFMJ-MRXNPFEDSA-N 441.554 0.307 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1761357453 CASXBYRPMRAXCG-CYBMUJFWSA-N 440.551 0.636 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC(=O)N1C 1763178644 KEYZTFDKHMMUED-MRXNPFEDSA-N 428.493 0.795 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)CC1 1889517150 ZCIXYENTLMEUFI-UHFFFAOYSA-N 426.517 0.853 30 10 ICEE Cn1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255825914 HPGVGNRJSQHYTF-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COS(=O)(=O)c1ccc(C)cc1 8626869 GHJVZRAILPFSAM-GVDBMIGSSA-N 438.458 0.778 30 10 ICEE CC[C@H](CO)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 464764792 IMNFMELEDLMODB-QGZVFWFLSA-N 442.520 0.843 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C)CC1 507928724 FKGOQSNXADMXOQ-UHFFFAOYSA-N 446.581 0.508 30 10 ICEE COCCOc1ccc(Br)cc1S(=O)(=O)NCCn1cnc(C#N)n1 511426775 FXUGFOXPIKXXBW-UHFFFAOYSA-N 430.284 0.916 30 10 ICEE CCOC(=O)C1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 524820872 PZCGOCYXTJUSOY-UHFFFAOYSA-N 449.529 0.876 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 559187522 VRRKOVREBIHOKD-ZWKOTPCHSA-N 434.541 0.359 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 603801079 XWUDORMUSVSZIN-KRWDZBQOSA-N 425.510 0.879 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 610898310 CPSXUMPIUROLAA-UHFFFAOYSA-N 430.555 0.559 30 10 ICEE CCOC[C@@H](C(=O)OC)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 610940970 BPJAJXQHZVVRDB-SFHVURJKSA-N 437.518 0.995 30 10 ICEE CC(=O)N[C@H](CC(C)C)C(=O)NC(=O)[C@@H](CC(C)C)N[C@@H](C=O)CCCNC(=N)N 725439048 JEQVYCMCKPVWJE-BRWVUGGUSA-N 426.562 0.015 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)cc3)c2=O)c1 763437144 RTAKWMWDXAHSMM-UHFFFAOYSA-N 438.484 0.738 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3C[C@H](O)c3ccco3)CC2)o1 763661008 BCXKDLQUPIMGRV-WMZOPIPTSA-N 429.477 0.921 30 10 ICEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 780204995 JMBRIYFNWXDMFK-OAQYLSRUSA-N 437.452 0.924 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NCC3(CC#N)CC3)C2)CC1 797564443 BLABRTQDLVIPHQ-UHFFFAOYSA-N 441.554 0.957 30 10 ICEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 816807481 ITAYWCYNDSXBAT-AWEZNQCLSA-N 427.548 0.931 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CC#N)CC1 819463520 HYNJMBRMCDFGFS-MRXNPFEDSA-N 431.518 0.724 30 10 ICEE CC(C)(C)OC(=O)N(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C[C@@H]1CCCO1 1159490715 UEZSXXTUPWTLIA-HNNXBMFYSA-N 433.465 0.620 30 10 ICEE C#CCOc1ccc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 1298076206 RQESPCHHSHBBHY-UHFFFAOYSA-N 429.498 0.995 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1299240683 DHXDAWHIGJDELI-UHFFFAOYSA-N 439.520 0.932 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1300631074 LAUIJQUQQJIWTO-DLBZAZTESA-N 437.566 0.887 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nnc(C)s2)CC1 1300706240 JLHWMEBDVKUNCA-UHFFFAOYSA-N 428.566 0.948 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)C1 1301556221 GIQRNZCIUCPFBT-BZUAXINKSA-N 447.533 0.377 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1 1302924060 IGFFURAPBMHCAW-UHFFFAOYSA-N 442.497 0.594 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)cc1 1313273143 INXBQOFCKNZMAW-UHFFFAOYSA-N 448.527 0.818 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCCO1 1323037867 DHGXAURIAABUKB-QGZVFWFLSA-N 449.536 0.932 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358957059 PBSBDBHLHSJMSY-QKLQHJQFSA-N 438.550 0.593 30 10 ICEE N#C[C@]12CN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1463165344 WGGZYRWXBADQBE-SUMWQHHRSA-N 443.572 0.933 30 10 ICEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1463866884 PIBSFSQWHJKDNH-KRWDZBQOSA-N 429.882 0.441 30 10 ICEE C#CCC1(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCOCC1 1470437588 FOMVSXQVNBKPSE-UHFFFAOYSA-N 435.502 0.702 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)N1CCOCC1 1505074404 SJHNWZWATFTSTB-DJPFJPOOSA-N 432.525 0.991 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1507728500 ZISVKNPUUUOQGA-WOJBJXKFSA-N 427.553 0.946 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2=CCCOC2)CC1 1507740098 IPIRFPCGHWXIQQ-UHFFFAOYSA-N 426.521 0.713 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)C[C@@H](C)O1 1540761016 UDLNFZLRQSXHMX-BJYXUANLSA-N 439.509 0.906 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1540874735 QDSIRWVCMLUDJC-UHFFFAOYSA-N 448.549 0.549 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 1558464832 OWQHJTXAAVODQA-RBUKOAKNSA-N 426.521 0.537 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1594784157 SJVGXPLEJVHIGH-CABCVRRESA-N 426.543 0.292 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 1637382440 KAXGEQVUCPTZRX-KBXCAEBGSA-N 431.518 0.979 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1637449226 FVGHTDLBCSMUCO-UHFFFAOYSA-N 430.534 0.322 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2nccn2C)C1 1650900386 NARXGWBGXIDHTJ-HNNXBMFYSA-N 431.518 0.603 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)c1=O 1651693767 ISSHKVUNOWFKAQ-UHFFFAOYSA-N 430.383 0.104 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccccc2OC2CCCC2)c(=O)n1CCO 1653036851 GLPQSMURJKEGRT-UHFFFAOYSA-N 426.473 0.820 30 10 ICEE C#CC1(O)CN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1660508059 OYRAYQIZUMCCFZ-LZYBPNLTSA-N 445.522 0.413 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1684615113 KNWNNTVCXRXXTB-GASCZTMLSA-N 429.543 0.085 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1705600385 XGJBALMMJJKXIX-UHFFFAOYSA-N 439.545 0.919 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1705627158 XIDVGYYLZRHGGV-UHFFFAOYSA-N 437.504 0.804 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1722275696 FXWNWVPJQISMHT-OWCLPIDISA-N 434.570 0.749 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722368497 RCRQFWDECLSCMY-MRXNPFEDSA-N 428.580 0.997 30 10 ICEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723708056 QIZCFUGECDPKIQ-DOTOQJQBSA-N 439.586 0.880 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)(F)F 1723960720 UTKMCHOAABJZBS-WDEREUQCSA-N 426.421 0.544 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1728681934 FLJXDBOIYCYBSQ-SFHVURJKSA-N 445.549 0.861 30 10 ICEE COCC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730652010 PNYGZTGNZGUZJH-KIJUOZEOSA-N 445.524 0.806 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1740645583 IGFYSRVYBZPQDH-KRWDZBQOSA-N 434.566 0.216 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740960848 DCBHLDCWHQDGHC-UHFFFAOYSA-N 437.479 0.967 30 10 ICEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1748295669 JDAITDHILMQNLA-UHFFFAOYSA-N 432.554 0.619 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1748814868 KIHDZDURYMTMFG-YOEHRIQHSA-N 446.533 0.763 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1748818341 AODFLNNFMKSIAM-KRWDZBQOSA-N 426.506 0.182 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749630201 OWJNOXFSVPPSQC-HOTGVXAUSA-N 425.555 0.928 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCOCC2)CC1 1760263418 ABBQYUSFLOPAKL-PMACEKPBSA-N 446.596 0.868 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760321739 JQCQOKYXLWUQIB-FXAWDEMLSA-N 443.556 0.793 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1760528623 IFHQTXXXPZSRCV-UTKZUKDTSA-N 445.524 0.544 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2=O)CC1=O 1853908445 QFMTYALZAZIFDW-ZDUSSCGKSA-N 441.456 0.500 30 10 ICEE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651399 RFDSKLQEUPRFIS-GFCCVEGCSA-N 430.442 0.949 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267518667 GGVSUNJLLRDWQQ-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE C=CC[C@H]1COC[C@@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310020 JDYXTERSBJQQFM-ULQDDVLXSA-N 426.491 0.965 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 27559995 APWDOACENREFRH-UHFFFAOYSA-N 431.493 0.416 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 560011769 SWCLKXVIZFECFM-UHFFFAOYSA-N 449.536 0.914 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CON=C2C(=O)Nc3cc4c(cc32)OCCO4)C1 749787743 XWCSBCZQGJLHGR-CQSZACIVSA-N 432.477 0.604 30 10 ICEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(OC)cc(C)n3)c2=O)c1 776755536 DKFMWNARDAFZOJ-UHFFFAOYSA-N 430.489 0.841 30 10 ICEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782830999 ASWAFTUCAPELQE-HNNXBMFYSA-N 430.538 0.718 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1=O 795671953 YFNUOKMYOMVZDD-AWEZNQCLSA-N 445.442 0.282 30 10 ICEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cccc([N+](=O)[O-])c4)n3)[nH]c2n(C)c1=O 1084564695 YONWHFVKKKPLAC-UHFFFAOYSA-N 442.421 0.584 30 10 ICEE C=CCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCS(=O)(=O)C1 1125953885 LHMJNWFZQKHAMB-GJZGRUSLSA-N 429.539 0.656 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1288869543 IHDAKXOEQINTIH-GOEBONIOSA-N 442.542 0.203 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)COc1cccc(Br)c1C#N 1288952537 HASCKAMSOUNUAL-UHFFFAOYSA-N 438.325 0.873 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1300464386 CJWTVJQDDQPGKT-CVEARBPZSA-N 433.538 0.140 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1300675138 LOCSQKZDRQCMFG-UHFFFAOYSA-N 426.525 0.853 30 10 ICEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099625 IOYXLFYFVVSUEY-NQCMUKECSA-N 434.474 0.365 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1C 1316138248 CDZYXIOLKXADHI-QGZVFWFLSA-N 441.536 0.974 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1358964911 JYDQXTFMYBQGEH-QGZVFWFLSA-N 443.508 0.926 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1358994694 UHIPKPPRJMHRDW-OAHLLOKOSA-N 449.562 0.282 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC(OCC)C1 1359240902 ZRZOYFXRWYTYOJ-CSLYMUCUSA-N 429.543 0.163 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1519205579 DJTFSOITBOLISO-UHFFFAOYSA-N 433.538 0.134 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539467528 TYWCQNIALCMXPU-QGZVFWFLSA-N 430.553 0.862 30 10 ICEE C[C@@H]1COCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1545121739 WJUKVSLQFMJELN-ORIGZDJFSA-N 429.481 0.152 30 10 ICEE N#Cc1cn(CC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)c(=O)nc1O 1558097448 JEEFEYPEDWUUKN-CYBMUJFWSA-N 432.234 0.653 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)C(=O)OCC 1587285802 LIJZRKHZRXOYGC-LLVKDONJSA-N 425.854 0.902 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1595544408 HRMGKHWDVSPPPN-MRXNPFEDSA-N 439.524 0.066 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(CS(C)(=O)=O)CC1 1612599192 CWHUHWFOHONCHQ-CQSZACIVSA-N 430.538 0.788 30 10 ICEE O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1cccc(C#CCO)c1 1624251478 ZKLALHWKNNIFHT-UHFFFAOYSA-N 428.466 0.605 30 10 ICEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1629280189 UCVNVMLEMSEORH-WDEREUQCSA-N 433.408 0.925 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1632966802 YYTATJPYCOJLJW-KBOKABMXSA-N 440.566 0.802 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)C2)C1 1635652413 MEFQYOIIAPGWOK-KWUTWHQWSA-N 427.523 0.439 30 10 ICEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1641574926 UEHJZDHBAKYTEC-AHIWAGSCSA-N 443.953 0.845 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C[C@@H](O)CC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1658215246 FVNRRURHEXGDBB-PMACEKPBSA-N 444.580 0.913 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC)c2OC(F)F)CC1 1680525039 MVSZCBOCQGEASD-UHFFFAOYSA-N 446.476 0.982 30 10 ICEE C#CCN(c1nnc(CC)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992058 GPTLGGHEQRYRMF-GOSISDBHSA-N 429.546 0.826 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1690020104 YTKZLTMBDANIRM-SFHVURJKSA-N 436.582 0.414 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1690061064 QGKQFGQHFQMQAT-OGLOHFSISA-N 428.493 0.916 30 10 ICEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698002275 XUTVZJVOURKMTC-ZDUSSCGKSA-N 432.506 0.752 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)CC1 1705639960 ZUMMONHZCKXPNZ-OALUTQOASA-N 434.610 0.810 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1708518930 SKPVTGPOVFNHKS-DCOQFNDQSA-N 430.513 0.779 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712877612 QGGOTELARPVXOK-ZGAGMJPPSA-N 442.455 0.369 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)CC1 1722437978 RLQUBIZXNZVLLH-LAUBAEHRSA-N 435.594 0.877 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740627360 PQEIBQJFBRJFOO-HZPDHXFCSA-N 444.579 0.234 30 10 ICEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1740680035 PUIKSQYQMLUCLE-UHFFFAOYSA-N 447.565 0.721 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O 1740774718 YWZZDJXHQLHOJA-HNNXBMFYSA-N 449.599 0.448 30 10 ICEE CC1=CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1742486358 LTLNTSLTMUNXJU-KIJUOZEOSA-N 446.533 0.863 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1748672059 PWYMVYFFCWGIII-OKZBNKHCSA-N 438.598 0.801 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1748825625 BBUYZRHXSRMYNG-HNNXBMFYSA-N 449.558 0.413 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1748928879 AGYOWPKMBLFKJN-GHTZIAJQSA-N 447.561 0.978 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1748960998 UGMCADGJSIEYGS-MRXNPFEDSA-N 430.509 0.813 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749734091 DZYWXLUFXPIKCO-ZWKOTPCHSA-N 439.582 0.684 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1760116675 IYCQTKREKPHGEW-UONOGXRCSA-N 437.526 0.257 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCS(C)(=O)=O)CC1 1760268989 UKKFWDPLGYNUSO-UHFFFAOYSA-N 433.538 0.079 30 10 ICEE O=C1CN(S(=O)(=O)c2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)CCN1 1772790326 MQTWXNIOPMXDMJ-UHFFFAOYSA-N 429.410 0.175 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(N(CC)CC)cc1 1865722369 PPYUYFZXHCCISL-MRXNPFEDSA-N 439.516 0.927 30 10 ICEE N#Cc1nccnc1OCC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1891460547 KVUFWPFUMSQHHG-UHFFFAOYSA-N 441.469 0.810 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2022805483 ASGGMYUYVBSORQ-OKYOBFRVSA-N 430.505 0.564 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620840 ZWPHKIJAVYMOAW-KGLIPLIRSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873550 QFLGCOFGMLWSKA-KGLIPLIRSA-N 448.329 0.733 30 10 ICEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 478740652 ABRLMQXAOQCLNT-NVXWUHKLSA-N 425.510 0.983 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 508494437 PMMPVJQTEMDOJS-ZDUSSCGKSA-N 438.476 0.481 30 10 ICEE C#CCN(C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 765896611 YZQRBBHRAPBQCL-KRWDZBQOSA-N 425.532 0.558 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1143354301 AYWIXOQELCALPW-BFUOFWGJSA-N 439.501 0.856 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)CC1 1157008911 GDYWEZRBXAPSIQ-UHFFFAOYSA-N 439.484 0.656 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1163652764 ZPZPWTUACRBFNE-PZJWPPBQSA-N 425.533 0.776 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1286377496 YHTBDHDKRVEGGB-GOSISDBHSA-N 433.534 0.875 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1300547876 RZIOKGCURNXOST-OAQYLSRUSA-N 444.513 0.488 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301588860 KVRCYVFFTXKAOC-DOTOQJQBSA-N 436.538 0.694 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1313496996 BVWKJUAXUHGXSI-INIZCTEOSA-N 425.493 0.957 30 10 ICEE Cc1nc(CN2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1 1323024190 VSNNJZHELOQFID-QGZVFWFLSA-N 436.476 0.534 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358954923 ATFHFZRFAVMHBI-GJZGRUSLSA-N 428.580 0.637 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358957058 PBSBDBHLHSJMSY-HLIPFELVSA-N 438.550 0.593 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1 1358997141 GIRLEXGCPBTKAH-HXUWFJFHSA-N 425.581 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359332758 GTCFJNQVYUHYPC-IAGOWNOFSA-N 425.555 0.735 30 10 ICEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1502337391 HLKCFKCXYNDZMD-ROUUACIJSA-N 432.573 0.419 30 10 ICEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1504490976 ADYVRGRPWMGNIQ-SJORKVTESA-N 431.541 0.847 30 10 ICEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507571158 RHOMZNNLBUIOAX-MRXNPFEDSA-N 440.479 0.947 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1507633572 HIRZGZLNOHXIDC-SFHVURJKSA-N 439.545 0.981 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1507710141 CGHMFCHCSXREDR-QFBILLFUSA-N 441.554 0.266 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)SC)CC1 1507736516 QPDJYQLOVFTDGB-KGLIPLIRSA-N 442.611 0.606 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1507800789 YEQLSAQYSQDMTQ-BBWFWOEESA-N 441.554 0.429 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1507800791 YEQLSAQYSQDMTQ-IKGGRYGDSA-N 441.554 0.429 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1513406398 AVYAILKDUYVUTA-QGZVFWFLSA-N 427.509 0.981 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)C1=O 1529265204 HZIQKNONWGIZPK-QZTJIDSGSA-N 428.489 0.617 30 10 ICEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1OCC(=O)NC(C)C 1536179962 OKOOULFDAQOADN-YWZLYKJASA-N 435.502 0.609 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539216702 WCOYDGPYJHWPSF-GFCCVEGCSA-N 444.439 0.578 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539220312 IHDXJHFIJOLHOY-LSDHHAIUSA-N 448.574 0.978 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1540864919 OZQDXBNYOHISFZ-UHFFFAOYSA-N 438.941 0.982 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1540982334 NQTNAARULMEHKS-KRWDZBQOSA-N 436.476 0.473 30 10 ICEE C=CC1(CC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 1542853027 WGXFWIKLLKYXQH-CQSZACIVSA-N 429.539 0.561 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1564690519 SZSXJLWFHPLXPC-FGTMMUONSA-N 429.477 0.408 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(OCCOC)CCOCC1 1588224046 NPFSYHAWVVQLAW-GOSISDBHSA-N 429.521 0.904 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1594732446 DDCCBXPGADHQBE-CABCVRRESA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1595570042 VFUNPUWPMDOTAB-MRXNPFEDSA-N 442.524 0.853 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)C1=O 1596793604 QKRVWOAGWWYARU-UHFFFAOYSA-N 442.501 0.963 30 10 ICEE CC(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603411702 YCUJFOVFWYWDAO-TWQPLMFFSA-N 427.509 0.718 30 10 ICEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CCO2)cc1 1641226558 DSJWVZVWHHGCKR-NRTINQSCSA-N 433.486 0.907 30 10 ICEE COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc(S(C)(=O)=O)ccc3=O)CC2)cc1 1652853139 DPGQZSWFGHDVTP-IBGZPJMESA-N 444.513 0.669 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1689988397 ODNVBMHEATVPAE-INIZCTEOSA-N 447.590 0.411 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2C2CC2)CC1 1690112479 YQRWNHAZJFZQGW-IEBWSBKVSA-N 449.625 0.660 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690669477 GIXKQDWVYLVTRA-HUUCEWRRSA-N 426.477 0.808 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705510494 QOTZJEXWVKSOKW-ZBFHGGJFSA-N 426.543 0.033 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1705612802 PFNSHVLJHJWBNE-QGZVFWFLSA-N 436.538 0.978 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1705736934 GSVUCACZJBGVGD-IAGOWNOFSA-N 443.570 0.676 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCN1S(C)(=O)=O 1712845793 FZQBWIHXDGSAEI-WMLDXEAASA-N 443.533 0.565 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362926 XBDRAGRIJZHUOC-ZWKOTPCHSA-N 431.566 0.646 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nnc(C)s2)CC1 1722437371 MBNIKAFRFDZBJP-MRXNPFEDSA-N 449.606 0.728 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740985414 HLVJKWMCMBYBTI-UHFFFAOYSA-N 438.598 0.747 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748751848 NIOZGPHDCPMNTI-GOSISDBHSA-N 448.593 0.338 30 10 ICEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1748922641 GSOQKGREDFYWKY-UHFFFAOYSA-N 429.506 0.993 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748993654 HDSCKCFIQNRVFW-LJQANCHMSA-N 443.577 0.443 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749039032 OKJLCPJMUXXXGV-SOUVJXGZSA-N 448.636 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)C1 1749738702 VJQIAFICIBOUTF-UHFFFAOYSA-N 433.534 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)CC1 1760260363 ZLYWDUIINCOCJS-KRWDZBQOSA-N 431.566 0.334 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1760555991 RWUSYZYEFSGEHS-QGZVFWFLSA-N 439.582 0.684 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1769491289 KFJALUDSMMAWAK-SFHVURJKSA-N 449.533 0.730 30 10 ICEE CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3cccc(C#N)c3)c2)CC1 1868131401 MUJPDRPTUZRQIC-UHFFFAOYSA-N 441.513 0.863 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255693921 KQIVMPUEVNCBRO-VXGBXAGGSA-N 437.306 0.136 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]c(CNC(=O)OC(C)(C)C)n1 2267217812 MIRQWGVNOCYCBA-UHFFFAOYSA-N 448.293 0.509 30 10 ICEE Cn1cc(NC(=O)c2cc(NC(=O)C[N+](C)(C)C)cn2C)cc1C(=O)NCCC(=N)N 28227737 CXFMXQJWQGUWAT-UHFFFAOYSA-O 431.521 0.316 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 435650032 BVTKEAXQZAULSU-UHFFFAOYSA-N 445.476 0.893 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508936020 QIFZNHRGZQNDQA-CVEARBPZSA-N 429.543 0.429 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 517660938 BEUSAAFEYJSEKY-LJQANCHMSA-N 426.521 0.315 30 10 ICEE C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 533059734 DAKPTTIFSQUCJM-RCBQFDQVSA-N 438.575 0.523 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 603796879 DEENUGIAFGIYRS-UHFFFAOYSA-N 442.516 0.163 30 10 ICEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cn1 768419222 ZCXRSBDVKYIZJK-CQSZACIVSA-N 446.537 0.418 30 10 ICEE C[C@@]1(C#N)CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 1134490631 UOYFHOGTRJUIJO-HXUWFJFHSA-N 448.501 0.910 30 10 ICEE COc1cc(NCCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ncn1 1142838657 WXJOMMWGZYXQKS-CYBMUJFWSA-N 432.506 0.921 30 10 ICEE N#Cc1cn(CCNC(=O)c2cnnn2-c2ccccc2Br)c(=O)nc1O 1148393436 ZYJLUKKCPOYYFK-UHFFFAOYSA-N 430.222 0.594 30 10 ICEE CS(=O)(=O)NC[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1175955410 LLXQLXWJPIUPEY-HZPDHXFCSA-N 425.580 0.328 30 10 ICEE Cn1c(O)nc(N2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O 1179243381 NHNCOQWUSOMMLL-MRXNPFEDSA-N 445.520 0.831 30 10 ICEE C[C@]1(C#N)CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1230868589 AFDXZKMWRUURKL-QGZVFWFLSA-N 444.535 0.736 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286486300 KVTQSOIMIOXFJE-QGZVFWFLSA-N 436.582 0.791 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1286816229 DDZFKDXWWNFSOO-QWHCGFSZSA-N 437.613 0.431 30 10 ICEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1301349617 MJTRYFDTXBJAQE-CYBMUJFWSA-N 449.516 0.792 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CCO1 1303003657 JGISKMYWSQZIPZ-VHSXEESVSA-N 440.270 0.897 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1359026547 BLHDSROQIYVWJJ-UHFFFAOYSA-N 425.555 0.700 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CC)CC1 1359047148 SUXYMFBYVDVZNG-IBGZPJMESA-N 441.580 0.851 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1359271815 DWSNRIVBAJWKSS-QFBILLFUSA-N 425.555 0.950 30 10 ICEE COCC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504529289 ZUMXDZFTJLXZFY-ISLYRVAYSA-N 445.524 0.397 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507750508 XGCAYKPPHHWRID-INIZCTEOSA-N 440.533 0.868 30 10 ICEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1)C1CC1 1507987823 DEHYBUZSPJCGDL-UHFFFAOYSA-N 443.537 0.922 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1513177094 ABTVTQYZYNQIQK-SUNYJGFJSA-N 426.518 0.927 30 10 ICEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)NC)CC1 1539453959 DTQKJDCSVBYQIZ-UHFFFAOYSA-N 430.578 0.758 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1554445160 WUMIOGXRYJPGDE-MSOLQXFVSA-N 426.477 0.573 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCOCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588030184 QCDFJAGTGDKFNI-OAHLLOKOSA-N 432.568 0.089 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588049101 ACMCDPOQKIVBBW-QGZVFWFLSA-N 440.533 0.728 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1 1588259120 RHRLDKCKXXNLQO-ZWOKBUDYSA-N 436.534 0.015 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1595788645 FHBGTQRTKHZXDU-MJBXVCDLSA-N 447.583 0.088 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595812207 PKIXRBUQSICTDD-GOSISDBHSA-N 428.580 0.846 30 10 ICEE C#CC[C@@]1(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CCCN1C(=O)OC(C)(C)C 1626166541 GGQJITIMARPPRB-KRWDZBQOSA-N 435.568 0.953 30 10 ICEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634918995 ROWKACXOVZUNGM-ROUUACIJSA-N 433.534 0.630 30 10 ICEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1644351694 VUDQPOVXZLHOHU-ZBEGNZNMSA-N 432.424 0.752 30 10 ICEE C#CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1645781191 FVUDRVBRPOJEFB-BPQIPLTHSA-N 439.578 0.870 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)n1CCO 1652167742 UDUSVWAFEHRJKP-UHFFFAOYSA-N 425.214 0.723 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 1658407857 ZSXWIBBWHSYHDK-UHFFFAOYSA-N 433.534 0.976 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689980485 SPNYWUQLQQPNMM-MNOVXSKESA-N 443.473 0.077 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(C)(=O)=O)CC1 1690146236 IUMQWGFKGXXXGN-INIZCTEOSA-N 438.554 0.035 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1690677300 UBHOCMHHKNJSTQ-JOCHJYFZSA-N 446.552 0.727 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690723067 GLVNKBCVYHFZJY-UHFFFAOYSA-N 431.584 0.617 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1696810923 VTKDZBXATUSWHW-MRXNPFEDSA-N 446.533 0.878 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NCCC)CC1 1705638587 PMFPWZMHHFXZRG-UHFFFAOYSA-N 427.509 0.677 30 10 ICEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705662494 ACUROXJPSIVCPF-UHFFFAOYSA-N 427.578 0.841 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1705837308 XBCARPKZHVMACK-UHFFFAOYSA-N 427.552 0.910 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1722689808 AEWJRRLYKKEJLU-RDTXWAMCSA-N 426.543 0.197 30 10 ICEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOC1 1729946707 GMBLYSDDCXHLGF-DENIHFKCSA-N 440.504 0.964 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760186520 OCZGTYOTBNKVHE-SJORKVTESA-N 442.607 0.928 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760189821 MCRWIVZXOAAZFD-INIZCTEOSA-N 440.591 0.825 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1760219843 PTUMOIUJNXLYNF-ROUUACIJSA-N 435.550 0.501 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1760522138 MJXDCIBCMLGNSF-GJZGRUSLSA-N 428.559 0.396 30 10 ICEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769695881 FCOCXEDCOSNTNL-IBGZPJMESA-N 444.584 0.659 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)c(C(=O)OCC)c1C 1860761486 VRVJBMWFSKWZCX-KOLCDFICSA-N 442.446 0.465 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624049 VMCYMQUDMQHKTO-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073176 HGMWQRIRGBCICK-DZGCQCFKSA-N 444.297 0.903 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccc(O)cc4)n3)n2C)n(C)c1=O 21078076 RYSXQRWZDNQKQY-QGMBQPNBSA-N 427.450 0.392 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)nc1 474363176 NJBOTGZQKIEFER-UHFFFAOYSA-N 426.542 0.674 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497580557 FTCWDAKROCBPIO-UHFFFAOYSA-N 449.517 0.589 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 505701746 ZHNLWYYLFHHAQC-HOTGVXAUSA-N 442.541 0.630 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 512718977 WTELEADNQKWFNW-UHFFFAOYSA-N 447.495 0.938 30 10 ICEE C[C@H](NC(=O)[C@H](C)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 533223922 AQWORHWFIFXBSZ-HOTGVXAUSA-N 442.545 0.989 30 10 ICEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(F)c1 546881820 HUNWDRRJTSTABU-UHFFFAOYSA-N 439.494 0.975 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)C[C@H](C)O1 610775968 AJHRYVSKSQONHX-KBPBESRZSA-N 442.451 0.785 30 10 ICEE N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910273 NZODHNQLIQJAHW-SJLPKXTDSA-N 449.504 0.573 30 10 ICEE C#CCCNC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 733356362 POMIVHYPNUKAQE-UHFFFAOYSA-N 442.925 0.964 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 772276335 CGJFZUPCEZPDKZ-INIZCTEOSA-N 427.530 0.661 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@@H]1CCS(=O)(=O)C1 776247869 XGOFCSHUFMKJEK-OAHLLOKOSA-N 443.522 0.698 30 10 ICEE Cc1nn(C)c(N2CCN(CN3C(=O)N[C@]4(CC(C)(C)OC4(C)C)C3=O)CC2)c1C#N 788046240 XMDBSDYMAJFHKR-OAQYLSRUSA-N 429.525 0.948 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1146351202 SHZRORWBRMIYCB-JTQLQIEISA-N 427.426 0.318 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 1227845590 NFYOIHZXXPWUII-HNNXBMFYSA-N 439.925 0.240 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286819774 VPCRRLDGAIZHMN-CVEARBPZSA-N 433.538 0.905 30 10 ICEE CCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1292979019 YTAKPWRTBMQISD-ISLYRVAYSA-N 428.497 0.361 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1298541639 KXLIAIDFZRBHBE-HYVNUMGLSA-N 425.507 0.430 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1=O 1298871898 LIFRJBOUECDMLZ-LJQANCHMSA-N 431.522 0.280 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300336605 LAYUGRDXJBNGJY-HNNXBMFYSA-N 427.513 0.752 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(O)CC2)CCO1 1303001464 AHKKEXMGNNAZTB-QGZVFWFLSA-N 440.508 0.501 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1359303917 FSMFZBAEPFTTCI-CYBMUJFWSA-N 432.506 0.571 30 10 ICEE C#CCN1CCC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1455706351 RWTSADQQUQXTOX-IBGZPJMESA-N 446.573 0.514 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 1492727716 DVXHNJIRKIEJBT-INIZCTEOSA-N 447.569 0.108 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1503781993 YFAZEIFCBBGMDP-TXCMAPRMSA-N 443.508 0.413 30 10 ICEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N2CCOCC2)CC1 1505321075 FWVPWLQATSRBCG-UHFFFAOYSA-N 443.533 0.868 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNS(C)(=O)=O)CC1 1507721182 PVMHZAZVJLQXMI-UHFFFAOYSA-N 447.521 0.548 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1508073349 VVQIDKCSKJRFLO-UHFFFAOYSA-N 447.584 0.611 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1516592786 SSEBEMWPCCVNEJ-NRFANRHFSA-N 426.525 0.474 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)CC1 1539847179 BAILHQIHUDNVEO-MRXNPFEDSA-N 438.554 0.294 30 10 ICEE CC(C)N1CCN(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1540647608 CCZREWDGNUQKKR-UHFFFAOYSA-N 433.578 0.807 30 10 ICEE CNS(=O)(=O)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1557943950 NYXUCLYAXHXWHV-UHFFFAOYSA-N 428.536 0.014 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)COCCO2)CC1 1588930115 NXBJWVQGLPCZRC-GCJKJVERSA-N 431.537 0.943 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595465972 BYJOTHGCOAZCHU-CYBMUJFWSA-N 431.463 0.791 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595466771 MZRJJLDYKAATDO-KRWDZBQOSA-N 443.556 0.843 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1nc(C#N)cs1 1598156253 VPYAOGHXGNCGCP-CQSZACIVSA-N 436.515 0.873 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)CC1 1620553541 NXINGHDHRPFCRC-KRWDZBQOSA-N 448.568 0.100 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(COC)CCCCN2C(=O)OC(C)(C)C)CC1 1635993249 KFJNPFWDTXAJOH-JOCHJYFZSA-N 436.553 0.686 30 10 ICEE C=C(C)Cn1c(SCC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)nnc1-c1ccco1 1639155801 WZNBWDBOOFANRU-CYBMUJFWSA-N 438.535 0.567 30 10 ICEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccnn1C 1654005962 PWPCXVLXNHAARX-UYAOXDASSA-N 428.468 0.772 30 10 ICEE C#CC1(O)CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1659571523 ZBVNURYDYRBGAX-UHFFFAOYSA-N 425.489 0.392 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)CC1 1674549374 CZBFPDUFSJSQGF-SFHVURJKSA-N 435.550 0.064 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 1682145917 MMWXXSUKAIATRC-HZPDHXFCSA-N 443.570 0.569 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689998216 FZQYSZRCEHTNGS-HZPDHXFCSA-N 437.566 0.919 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC)CC1 1690144270 RYOLWMLWAAFOHQ-UHFFFAOYSA-N 445.549 0.164 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(CO)nn1 1690206519 SXRLOFVJZMYFSJ-DNVCBOLYSA-N 433.538 0.346 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690256428 LWQNOGHMUWMSLJ-CABCVRRESA-N 448.615 0.572 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1690714962 ZOKSBISFDHJFCG-UHFFFAOYSA-N 440.570 0.466 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC1 1705649366 UZJBXXGZYPMJQW-UHFFFAOYSA-N 433.538 0.130 30 10 ICEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1729851863 WRWKZVVHULUNKC-GRYCIOLGSA-N 440.448 0.584 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740628067 VJOWCBLRURNMHK-JFBVMJNESA-N 438.550 0.339 30 10 ICEE C=CCCOCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1740888648 RALGMRMFMLLLRJ-HNNXBMFYSA-N 425.515 0.681 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@H]1C 1740959867 GHCCWAJJALQJRX-MRXNPFEDSA-N 426.525 0.979 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1741000914 IAMJRGORVUVGGW-JLTOFOAXSA-N 447.565 0.963 30 10 ICEE Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1742500940 HEPYIOOEMXIXBN-ZBFHGGJFSA-N 436.542 0.412 30 10 ICEE CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1748390693 ZLSKQUIVGAFLGR-DOTOQJQBSA-N 445.549 0.808 30 10 ICEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749616368 DBHOIQCNWBROKK-JLEJFLCFSA-N 448.568 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1749682946 DONZRVYERNDDIR-HOCLYGCPSA-N 434.497 0.383 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)NC(C)C 1761215233 DTANDLOBUVIMDV-UHFFFAOYSA-N 425.559 0.874 30 10 ICEE CS(=O)(=O)NCCCC(=O)Nc1nnc(CCC(=O)Nc2ccccc2C#N)c(O)n1 1860887847 GKOFVXPUULOSTF-UHFFFAOYSA-N 447.477 0.288 30 10 ICEE NCC#CC(=O)Nc1c(I)ncnc1I 1974848355 IXENQOZXBQVCDU-UHFFFAOYSA-N 427.971 0.586 30 10 ICEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267089619 GMIWFJIIINSNQG-UHFFFAOYSA-N 449.361 0.991 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@H]3CCCN3C(=O)[C@H](O)CO)C3CC3)nc2)OC1(C)C 204876273 RMPDYOFHJICZJZ-IAGOWNOFSA-N 432.330 0.089 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 442912399 DIHPZFJYMFYRFM-UHFFFAOYSA-N 445.339 0.157 30 10 ICEE C=CCN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 504589028 WGWYGTZKKSKSIJ-WGDDSDEBSA-N 447.289 0.621 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 682823000 ZQSCVJRMAIDESR-FQEVSTJZSA-N 433.528 0.828 30 10 ICEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1134274932 DVPZRZNMOFSMDV-AVYPCKFXSA-N 430.486 0.395 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1139176270 UIXDPQQJKZKIHP-LSDHHAIUSA-N 427.498 0.610 30 10 ICEE C=CC1(CC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1141374903 OZIUDEYVKGNBKS-HNNXBMFYSA-N 443.566 0.951 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)s1 1171394004 XGGSBAYNOPUJLK-HZPDHXFCSA-N 428.624 0.953 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1286416649 UCZIMGTWUOGTAT-QZQOTICOSA-N 432.488 0.739 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286784342 FGXFEGRWJOWEMJ-LJQANCHMSA-N 449.515 0.947 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1296327014 UWNVBAMUYSRONV-INIZCTEOSA-N 447.521 0.545 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300547875 RZIOKGCURNXOST-NRFANRHFSA-N 444.513 0.488 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300948834 CQQVDPDKVPHTQS-HOTGVXAUSA-N 440.570 0.682 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCOC)CC1 1301087028 RYYDDJMQTACWTD-QGZVFWFLSA-N 443.570 0.821 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1301586820 OOEAMPPGRNFZCI-UHFFFAOYSA-N 447.561 0.999 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1302233679 DBZMODXBXWNWDG-BPLDGKMQSA-N 427.548 0.976 30 10 ICEE C[C@H](O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1303889371 CYTQILDXPXDBTR-KEYYUXOJSA-N 434.522 0.719 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1304004959 AFEXTXACDLJWLU-INIZCTEOSA-N 441.492 0.964 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1314813017 FJTVZYLDRIJSHJ-INIZCTEOSA-N 434.522 0.751 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCC(=O)N1CCOCC1 1316283743 YQMGVADKULFZPV-HKUYNNGSSA-N 432.525 0.991 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(C(N)=O)c2)c1 1322392063 CQBFGJWNQHIFFC-UHFFFAOYSA-N 427.482 0.821 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1359008256 KHKKNBBOBRIJIG-CQSZACIVSA-N 426.568 0.067 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1359018946 HAEDJSLIPGDPIC-YLJYHZDGSA-N 440.566 0.841 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCN(C)C2)CC1 1359043942 OPTPSPQKEKTYPB-QHCPKHFHSA-N 437.548 0.681 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1436289826 KVOYYNRBPWTCMV-SJORKVTESA-N 430.486 0.799 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)s1 1446144080 WIPFNGOCUYWDDN-OCCSQVGLSA-N 435.593 0.589 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1508018578 GIUSGQKNLICEHQ-HOTGVXAUSA-N 427.527 0.205 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)C1=O 1533521604 YVGDPBRPNJSKLJ-UHFFFAOYSA-N 444.398 0.466 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539230503 NHBZHWKLESABKP-GOSISDBHSA-N 442.545 0.779 30 10 ICEE Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1539698790 KLYQIQYFROSJQR-UHFFFAOYSA-N 449.464 0.816 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1540074305 XMZSEIYWXHIKPQ-MRXNPFEDSA-N 449.537 0.635 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1540876227 LDCXPJKUAIZYOF-FIKGOQFSSA-N 435.525 0.617 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1595467766 YZJNFLHUZPWHTP-UHFFFAOYSA-N 439.520 0.880 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1595576889 ATASWPNAXCQEKR-UHFFFAOYSA-N 431.522 0.240 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCS(=O)(=O)N(C)C 1612884846 HLNWTCLENULVIR-AWEZNQCLSA-N 445.553 0.424 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)o1 1626948454 PZNIUNFWDJKKKM-IBGZPJMESA-N 439.490 0.998 30 10 ICEE C=CCOCCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1636987248 LTQZJJXJXNEEDX-UHFFFAOYSA-N 446.570 0.855 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2O)CC1 1640201347 BYPSJFKCDPLNOO-UHFFFAOYSA-N 427.242 0.504 30 10 ICEE C#C[C@](C)(CC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1640968556 LGZNYCIBYPMLRN-HSZRJFAPSA-N 437.500 0.973 30 10 ICEE C=C(Cl)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OCC 1643589404 KNTCMVKPSAXNKU-WFASDCNBSA-N 443.909 0.877 30 10 ICEE COCCOCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1654917161 FXCKWLFVDUQXAS-QFIPXVFZSA-N 447.555 0.815 30 10 ICEE N#C[C@@]12CN(C(=O)NCCS(=O)(=O)CCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1681983552 IOILAXUGBKAFCP-WMZOPIPTSA-N 425.532 0.224 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1689825958 GBWRQYPLDZDPGM-LSDHHAIUSA-N 428.522 0.975 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C)n1 1690108998 CDBJDGUOJWNCHS-UHFFFAOYSA-N 425.497 0.250 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1690174673 HYEUKGUYAICBII-OAHLLOKOSA-N 426.564 0.936 30 10 ICEE CN(C)C(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1696589393 BWRLEDDFAPSLPC-GOSISDBHSA-N 434.501 0.768 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)F)CC1 1705647349 COFLTGIYZQIBLF-OAHLLOKOSA-N 438.479 0.519 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1711251311 DSZHWUPTQYZDMC-JKSUJKDBSA-N 436.467 0.763 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)CC1 1722448111 RUGGBPORAGUICB-JQHMZKTJSA-N 444.536 0.125 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722542661 FSNOOKSKPCFUJC-PBHICJAKSA-N 432.978 0.942 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722702579 QCIBJLSWHWKIPU-CVEARBPZSA-N 437.570 0.700 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1740609966 QVNJODFPGUYTDJ-ZWKOTPCHSA-N 438.598 0.801 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC1 1740706472 YSEDWHSHIGWLOG-MRXNPFEDSA-N 437.566 0.307 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)C 1743234788 NKLCPWPGTLOHMW-HOTGVXAUSA-N 439.524 0.637 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749650281 QHEGZMIWRPYFJO-FQEVSTJZSA-N 430.513 0.204 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749650306 ROKQXNHTWDCEKX-QGZVFWFLSA-N 443.552 0.559 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1760137447 KAYHRXYMPOTBAZ-QGZVFWFLSA-N 433.538 0.841 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1760244313 QKURTQNEPJIZAF-UHFFFAOYSA-N 445.343 0.671 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760248274 GXICDMIPUZDGCC-HNNXBMFYSA-N 448.524 0.609 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC(C)C)CC1 1760389927 WYECHNPAIARSPH-HNNXBMFYSA-N 431.584 0.664 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1760684505 BPGRUQAIMNCLKR-QGZVFWFLSA-N 425.493 0.957 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763458407 MLJNBKXNXJDQIV-ZFDMEJTGSA-N 431.497 0.558 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2=O)CC1=O 1854018377 LCPZMSJELUYGOU-GFCCVEGCSA-N 427.429 0.359 30 10 ICEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN([C@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1854952133 SWXKNZRRAJBBFE-OALUTQOASA-N 430.530 0.033 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)CC1=O 1855740011 LLQRBRFZRYTGKB-SJORKVTESA-N 437.562 0.439 30 10 ICEE C#Cc1cnn(C2CN(S(=O)(=O)C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)C2)c1 2364953621 IGNGFRGZDXLGJE-QGZVFWFLSA-N 432.458 0.431 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 462611395 FPFIHGOOYPRIKP-ZFWWWQNUSA-N 426.564 0.985 30 10 ICEE C[C@@H]1OCC[C@H]1N(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483258890 AOHFNPOCDIKGID-DOTOQJQBSA-N 429.477 0.927 30 10 ICEE Cn1ccnc1CN1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486491131 IPCLWCQWHRUYKP-RBUKOAKNSA-N 449.515 0.883 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC=C)CC1 508845674 CONHUTQQBWUFSY-UHFFFAOYSA-N 434.508 0.531 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 781527473 AKUCRTKBWHJODO-UHFFFAOYSA-N 425.532 0.285 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286395919 STEGGBAFUAGKFT-HOTGVXAUSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286781334 QKTXDYCWJINIBN-CQSZACIVSA-N 426.543 0.122 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1296327035 UWNVBAMUYSRONV-MRXNPFEDSA-N 447.521 0.545 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300494105 YRMCKWVIMXQXFG-FUHWJXTLSA-N 443.529 0.913 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300621963 SQKVMIQCALRUTR-IXDOHACOSA-N 434.566 0.893 30 10 ICEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1300984259 ZNRQSOFYBJFBAF-UHFFFAOYSA-N 433.538 0.767 30 10 ICEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1302207164 VDVYRFRYBGNPHF-CVEARBPZSA-N 427.527 0.352 30 10 ICEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 1319283435 GENWFXIIUIUZRP-UNCPIFPISA-N 430.465 0.374 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1358912957 CAZXXSGHYYAGAR-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2)CC1 1359031598 IJOLOVBECXTRSU-UHFFFAOYSA-N 439.545 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nncn2C)CC1 1359041650 DOCCRAGFUGQNBC-NRFANRHFSA-N 442.524 0.073 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1494127801 HOGMLLNUNBCTQO-CYBMUJFWSA-N 447.446 0.777 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2COCCO2)CC1 1507885245 VQIONMLRJUNQEY-SJORKVTESA-N 441.554 0.573 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1509820720 XOUMGRXJWVKQQD-LVCYWYKZSA-N 434.541 0.768 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1517620554 IWWGGJGLMKTSRL-IRXDYDNUSA-N 446.533 0.857 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540872973 IETKXXOIVDIYPR-GOSISDBHSA-N 439.520 0.394 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1540898178 BVOZVOVFKPFGKT-AWEZNQCLSA-N 449.533 0.875 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1542482764 CCIPPHQJOAUYKY-SJORKVTESA-N 439.476 0.883 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588025101 SEKJGOWTRJIYSE-DNVCBOLYSA-N 425.555 0.450 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2=O)CC1 1588865561 XNDITGSCYNOSBY-UHFFFAOYSA-N 427.553 0.558 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1640675943 ZCOVSFPSWGBZHA-WMLDXEAASA-N 444.517 0.380 30 10 ICEE NS(=O)(=O)C[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1653069795 QKAQQTUPYABFQX-AWEZNQCLSA-N 442.563 0.423 30 10 ICEE N#Cc1cn(C2CN(C(=O)CC3(CC(=O)N4CCOCC4)CCCC3)C2)c(=O)nc1O 1653759610 DOJZHJKULUSABB-UHFFFAOYSA-N 429.477 0.403 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1690063480 FLWCNYINIAXUHA-UHFFFAOYSA-N 428.522 0.832 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690673031 LYQVGGFXTRVROQ-IBGZPJMESA-N 425.537 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690723600 WPFWCTFMDRCMJW-LJQANCHMSA-N 436.538 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690726888 PLUZCWDIPYIMBF-CVEARBPZSA-N 433.490 0.979 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1692661639 FKGJVVDPQFLFBR-WBVHZDCISA-N 433.538 0.987 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712883476 PXDNDXZFGPWTEN-CYBMUJFWSA-N 427.856 0.875 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722363954 IUPWBNAANHJBNS-FXAWDEMLSA-N 449.533 0.902 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1722383040 FNIFVCHLEJPQQJ-RTBURBONSA-N 448.593 0.416 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722436988 IBAZQICZHGJKIJ-DLBZAZTESA-N 442.486 0.800 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722528086 CVACBEGYPJUUBE-ULQDDVLXSA-N 443.570 0.865 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCN(C)C 1723940741 CVJAOPQNODHFSQ-QAPCUYQASA-N 427.575 0.597 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1729308289 PGZRTUNXLHSNLD-WMZOPIPTSA-N 437.504 0.922 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1740621306 LHPRIXZJOFFVBQ-IXDOHACOSA-N 433.534 0.450 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1740706302 VPOTVKFBHFBKSU-QUCCMNQESA-N 444.580 0.716 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740881092 XBBKUGXQUWXRNP-NRFANRHFSA-N 447.540 0.824 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1748972468 KISIZXMMWAULDS-IRXDYDNUSA-N 449.581 0.539 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1748993431 XFJFFYFEJKNORQ-IBGZPJMESA-N 435.532 0.921 30 10 ICEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749456807 AWYWCWLCWIXRAG-SFHVURJKSA-N 442.495 0.748 30 10 ICEE COCCN1C[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1=O 1749864612 CMPSNSMMYMCXJY-BMFAXAFESA-N 448.524 0.226 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760366050 PBZISORIKBLILJ-QEJZJMRPSA-N 432.978 0.798 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1760373759 BJVGHHNBJQHYQU-YOEHRIQHSA-N 447.945 0.359 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760523482 ZZJBUSNHRYVJEA-UHFFFAOYSA-N 434.508 0.816 30 10 ICEE CC1(C)COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1761566866 DSJHIJXNRLBKIG-HOTGVXAUSA-N 438.554 0.020 30 10 ICEE CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769574905 CEQQENYTUBFHFE-OLZOCXBDSA-N 432.506 0.750 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)[C@H](C)C2=O)CC1=O 1854924329 CACXSXLOQDHDBJ-NEPJUHHUSA-N 425.429 0.362 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255695360 ZWYNHXQRQADVNG-VXGBXAGGSA-N 433.318 0.709 30 10 ICEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 27560256 UDQBNIBUBBOGGT-OAHLLOKOSA-N 431.493 0.414 30 10 ICEE COCc1nc([C@H]2COCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 488260738 CMDDZVIAFQHYQV-IAGOWNOFSA-N 440.460 0.972 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 501495618 PITYCACECZYVMT-UHFFFAOYSA-N 443.596 0.477 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 604195909 XPGFBCRCFUALJV-OAQYLSRUSA-N 429.565 0.559 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 619852800 CDZKTJWYCUASGJ-JTDSTZFVSA-N 438.554 0.920 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 742174709 CNMMSTMFWHWBDT-UHFFFAOYSA-N 442.469 0.995 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 747353615 JHJURRFFGFTRPG-UHFFFAOYSA-N 443.548 0.387 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 747738181 WBJUZZJUXZXPSM-QGZVFWFLSA-N 436.534 0.680 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 917626358 FQZPUHHJDIFRSJ-UHFFFAOYSA-N 434.518 0.300 30 10 ICEE C=CCOC[C@@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 1155780190 ZBIYSRBCIHGQMD-QGZVFWFLSA-N 426.429 0.690 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C(C)C 1229532311 RJOHWWLJOGOYRG-INIZCTEOSA-N 428.536 0.008 30 10 ICEE C#CCN1CCC[C@H](NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1248619828 GOEXMPKUQYQHCM-IRXDYDNUSA-N 442.582 0.807 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286758681 UGGOJLXXJFXSHW-HOTGVXAUSA-N 443.595 0.640 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286829867 GMHVIRMFLCIQQL-KBPBESRZSA-N 428.584 0.619 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CCO1 1299137807 OVYIFXZFJVNNBC-KRWDZBQOSA-N 430.534 0.884 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CCO1 1299137808 OVYIFXZFJVNNBC-QGZVFWFLSA-N 430.534 0.884 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1300465028 JMMRQDXNXCYDDW-QZTJIDSGSA-N 438.598 0.801 30 10 ICEE Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 1317725599 AWTQUTOLYJZWSY-OAHLLOKOSA-N 447.590 0.975 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1358949304 YGVZVUNKWVDKFA-KRWDZBQOSA-N 437.497 0.876 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358960399 DFTSAYXNOSIPSU-MRXNPFEDSA-N 430.534 0.800 30 10 ICEE C#C[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1437871078 FZOIBKAHEGHSDH-SFHVURJKSA-N 436.530 0.803 30 10 ICEE CSc1cccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c1 1472370062 BJGCDPLHRQUUHU-GFCCVEGCSA-N 425.470 0.979 30 10 ICEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1507974267 WFKZRBZRQJGIOD-UHFFFAOYSA-N 429.510 0.579 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1516225042 KUBGUEAUHGELMF-OXJNMPFZSA-N 430.465 0.394 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1516838546 PDZLQXKXZVROCZ-ZIAGYGMSSA-N 432.572 0.248 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 1538749687 FDDPFLNSFKPVOC-HNNXBMFYSA-N 427.548 0.605 30 10 ICEE CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1539117593 AIVZHFWQQFMDTI-HLMBZOQJSA-N 439.559 0.290 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539202355 HGBIRBZPPAWIQP-IGQOVBAYSA-N 433.531 0.046 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539222194 UIULJYOWIILXNS-OAHLLOKOSA-N 429.568 0.112 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539430150 HJDAUMVJFXRMOS-QKLQHJQFSA-N 438.598 0.991 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540871627 PWFDGDDQGRTWCZ-GJZGRUSLSA-N 449.537 0.558 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1587640417 RDZQGFOJPPAACW-YJBOKZPZSA-N 447.565 0.578 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1596714066 PDLOECQXEAXFJA-KRWDZBQOSA-N 437.508 0.349 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1597699091 GOPRZJFJLLNLKG-DYVFJYSZSA-N 447.558 0.835 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1627136196 AXXDUOXNOFLSQW-QFBILLFUSA-N 437.543 0.872 30 10 ICEE C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1628849790 ORSRLOBXODAADO-IBGZPJMESA-N 449.573 0.924 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CSc1ccc(S(N)(=O)=O)cc1 1630585175 HXOJJMLCWKIDND-ZDUSSCGKSA-N 432.531 0.825 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1638317983 BWBUZMSRUQRERI-UHFFFAOYSA-N 435.488 0.217 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)CC1 1659502552 MFBMWZBXFIBEJU-UHFFFAOYSA-N 434.541 0.839 30 10 ICEE COCCOCCN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1679945340 WGQCWDFZLIVCDW-DLBZAZTESA-N 425.530 0.736 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1689831957 USENDGYHULNRSV-DNVCBOLYSA-N 426.539 0.328 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689988964 ZNKAYZOEZSAGMR-MRXNPFEDSA-N 430.534 0.959 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1690006244 LLQILQIIFYPJEG-UHFFFAOYSA-N 446.554 0.999 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1690030386 UEMRZUJJCJTOFM-QGZVFWFLSA-N 432.550 0.401 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690219600 HPDCULKZDQRNLT-QWRGUYRKSA-N 449.331 0.438 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690678443 WGIIBIAKUBJYDG-JPLJXNOCSA-N 448.568 0.461 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1697617490 CCKMHMWZAVPPIL-HRAATJIYSA-N 428.493 0.661 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1698317505 MIXDVDQIUBAQJF-SJORKVTESA-N 443.533 0.471 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705558608 CNPKLSQIMPBYBN-SFHVURJKSA-N 446.577 0.403 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705582972 NULZFECSSDNZND-RDGPPVDQSA-N 449.577 0.887 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1705628291 CCAPCEOMUDZPTF-SJORKVTESA-N 439.538 0.042 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCn2cc(CO)nn2)CC1 1705647160 BPVPWUWUJBDASJ-UHFFFAOYSA-N 426.525 0.686 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1705905914 LNAKMLIMLTYIOC-UHFFFAOYSA-N 431.566 0.491 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1705932498 VGEJHJJDCXJYFX-UHFFFAOYSA-N 437.526 0.558 30 10 ICEE CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)CCOC1 1710423754 PBGMNBSWBRIBJD-NRFANRHFSA-N 444.492 0.738 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712710282 APFMISOFJPLFBD-IRXDYDNUSA-N 437.570 0.636 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1722293101 BODNYIFLNOWWPB-ULQDDVLXSA-N 426.587 0.799 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCOCC2)CC1 1740706400 WSXJAIVUDWTTPT-IBGZPJMESA-N 430.553 0.470 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCOCC2)CC1 1740706401 WSXJAIVUDWTTPT-LJQANCHMSA-N 430.553 0.470 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740707819 RGDPTKZNIWSODW-KRWDZBQOSA-N 437.566 0.748 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740847773 SVRCBYCBFKCPMA-INIZCTEOSA-N 443.552 0.759 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748773302 WFFSENCMWKYRID-HOTGVXAUSA-N 447.565 0.626 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748803247 WUFYUPLWPPHUNA-HZPDHXFCSA-N 437.591 0.894 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1748929800 PSQMKQPTMDYATR-ULQDDVLXSA-N 425.555 0.886 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1749678119 WSHAVLKBKAMYRF-GOSISDBHSA-N 426.477 0.883 30 10 ICEE CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1750524097 GNKJLVLIIRXVRU-MRXNPFEDSA-N 440.508 0.765 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1751236516 HIELIQVEQDSIMQ-RHSMWYFYSA-N 446.533 0.863 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760520386 LVBDDEVXGQIBFN-NRFANRHFSA-N 440.508 0.400 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760527333 SQTCMTBFSGXZOD-GOSISDBHSA-N 428.541 0.747 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2CCOC2)C1 1771361797 PVXLCIKGRCMTRO-DLBZAZTESA-N 438.554 0.778 30 10 ICEE N#C[C@H]1CC12CCN([C@@H]1CCCCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1=O)CC2 1855394722 YSYKODXSHGYRQI-SJLPKXTDSA-N 434.562 0.944 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2255707450 WNIDSXCTISAHOK-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE Cn1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255826958 UBCINKBYUBWMHH-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CC[C@H](O)/C=C/[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@H]2O 85553143 GZAYJWNDYQINEI-NPKZLISGSA-N 431.441 0.003 30 10 ICEE Cc1nn(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c(=O)c(C#N)c1C 208642187 NWZJIDXTXNKEJE-JYRVWZFOSA-N 441.513 0.877 30 10 ICEE COc1ccnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 480638203 CTNKPAMBKWAFCA-AWEZNQCLSA-N 430.490 0.372 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 609279586 NSKKJYCQHODPKC-UHFFFAOYSA-N 433.490 0.113 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 642720667 KJSDUCRBCYQVIA-CQSZACIVSA-N 438.558 0.868 30 10 ICEE CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732706008 BCDQVOQWUZJFDZ-HXUWFJFHSA-N 438.532 0.140 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2[C@@H]3CCCO[C@H]32)CC1 780129908 FDSWFGDGQXURTA-KFKAGJAMSA-N 433.486 0.359 30 10 ICEE C#CCN(C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 798118255 LCJWQECZYLDUCV-OAHLLOKOSA-N 431.511 0.278 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1 1175515077 QVOAMRNJAXZMDO-UHFFFAOYSA-N 428.536 0.064 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]3C(=O)NCC(=O)OC)ccc2c1=O 1183720733 ODWJFILDHHVHDR-HNNXBMFYSA-N 430.486 0.765 30 10 ICEE C#CCCCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1223925642 OPTGUHWPJDOQDG-UHFFFAOYSA-N 435.550 0.738 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1286780699 HLTMHLXCBVGBIT-UHFFFAOYSA-N 427.465 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286823510 VQQIJXGBRNCFJE-INIZCTEOSA-N 439.563 0.488 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1292133167 FWWBETKRTGBJHR-HNNXBMFYSA-N 438.554 0.893 30 10 ICEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1300320859 FCYYMOAGDLCPLK-KRWDZBQOSA-N 441.492 0.584 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCCO 1301297363 PNILCDLYALHJSB-DLBZAZTESA-N 442.586 0.080 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301587520 QFUMOHBECBNLBI-MRXNPFEDSA-N 439.563 0.488 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 1302923779 DOJXKVWENWVJRH-UHFFFAOYSA-N 431.268 0.583 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358969546 RFZKSQHKHUJXFJ-BZSNNMDCSA-N 436.582 0.460 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359287471 FVWDYMGSZFSYCC-KBAYOESNSA-N 436.582 0.355 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359292123 IPBKHSABGVOVJF-YDHLFZDLSA-N 426.543 0.194 30 10 ICEE N#Cc1cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ncc1Br 1458234151 TYBHBXZHYHUKJE-LBPRGKRZSA-N 449.352 0.355 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 1471450535 DGEGIOBRXKQQDK-UHFFFAOYSA-N 446.283 0.165 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507634987 OVVZKUYEYPTPRP-KRWDZBQOSA-N 430.534 0.417 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1507638554 SBDCIIGTWKNUJF-FQEVSTJZSA-N 425.581 0.861 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508166547 AVRWBYURSVHPAE-OAHLLOKOSA-N 447.565 0.792 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1539178855 KWMKVTHQECKXQP-LJQANCHMSA-N 445.545 0.801 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539517156 JIOWGWARBGDVHV-DLBZAZTESA-N 432.594 0.938 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1541115777 FFJFNDLVPLLTJZ-HOTGVXAUSA-N 436.542 0.494 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1587707341 DSODHYUKZQMIPQ-DLBZAZTESA-N 437.518 0.698 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)n1 1626715397 ZJBCSVKNPVAPCV-UHFFFAOYSA-N 425.420 0.992 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)s1 1638416349 LYAITNSOEOLMKM-CYBMUJFWSA-N 429.520 0.035 30 10 ICEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCS(=O)(=O)c1ccc(C#N)cc1 1647787247 BWJOAOYILLUHAO-HXUWFJFHSA-N 439.534 0.920 30 10 ICEE CNC(=O)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccc(F)cc1C 1686885560 WMFYYORTSBPQQN-GQIGUUNPSA-N 436.509 0.619 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(CC)S(C)(=O)=O 1690077797 WWSPSCNFPGPOFV-HNNXBMFYSA-N 431.584 0.311 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1711304288 XMWLQPKPGYBNJB-SYLQMPFCSA-N 438.492 0.685 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1722384505 RFTVSTIIZFCYQE-MRXNPFEDSA-N 425.580 0.825 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1722385070 ZCNJQRHWATUUIB-IBGZPJMESA-N 443.529 0.224 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722713707 JDQPAMHDENHHMN-IRXDYDNUSA-N 440.566 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722726259 ZZRDZZNOLMDQFQ-UHFFFAOYSA-N 433.600 0.863 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1749053564 JFKKLIIFWLIFBK-RHSMWYFYSA-N 443.595 0.848 30 10 ICEE C[C@H]1CN(c2cc(N3CCN(CCO)[C@H](C)C3)cc(C#N)c2[N+](=O)[O-])CCN1CCO 490072636 BZTFJBUSNBOGTP-SJORKVTESA-N 432.525 0.472 30 10 ICEE COCCN1C[C@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)[C@@H]2C1 503718229 FFLZBDYBQPZSFO-RTBURBONSA-N 432.546 0.748 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 508489920 AALZWQZWOOTQDO-NVXWUHKLSA-N 435.554 0.915 30 10 ICEE CN(C)C(=O)CCN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508691405 NAYVZQVGVXRQFC-IBGZPJMESA-N 426.521 0.859 30 10 ICEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508840378 KXXAJHFHTISVLS-UHFFFAOYSA-N 432.492 0.958 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)n1 546876296 LFBPWAHWJYYUKL-UHFFFAOYSA-N 430.468 0.674 30 10 ICEE C#CCN(C(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 729334722 BRUAQFKYSZWZCJ-INIZCTEOSA-N 428.532 0.864 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 732152904 HCIIGIZPZVNBFC-IUXHBZJFSA-N 426.429 0.453 30 10 ICEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706509 ORPFTPIPKJYPSB-QGZVFWFLSA-N 431.518 0.607 30 10 ICEE C#CCN(C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 774040520 RWKOWCNPCULRQO-QGZVFWFLSA-N 425.532 0.576 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@H]2CCS(=O)(=O)C2)C1=O 790746008 GKEICCCHIJGAHM-UONOGXRCSA-N 444.604 0.935 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@](O)(CC#N)C3)CS(=O)(=O)[C@H]2C1 1163163208 QNXXEPRBDMEYGX-BKEDOTJMSA-N 427.523 0.534 30 10 ICEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1221637991 XNJRVMIGVLOXIY-GHTZIAJQSA-N 445.545 0.435 30 10 ICEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OC 1287778374 PDCNRKINDCTWPT-GOSISDBHSA-N 437.518 0.777 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300479288 KTXIXQKYXZYHGA-MSOLQXFVSA-N 448.593 0.625 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300479848 SUGZLWBZDIJXGD-IRXDYDNUSA-N 435.550 0.567 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300540726 CKAAZJCVLLNPEF-INIZCTEOSA-N 432.575 0.988 30 10 ICEE COCC1=CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315865788 UWPPKQPRGGLVQM-ZPHPHTNESA-N 443.508 0.726 30 10 ICEE Cc1onc(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C#N 1345487182 JDZNPWZVDFBLKB-HNNXBMFYSA-N 425.493 0.360 30 10 ICEE CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1359600898 HBPNMHDRSGYDRD-SUMWQHHRSA-N 430.506 0.214 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)CCOC)CC2)s1 1445978876 DYOHVMPQJKJUQF-UHFFFAOYSA-N 429.564 0.899 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCCN3CCO)CC2)cc1 1450022609 QVHHHZOXFASLLW-IBGZPJMESA-N 434.562 0.922 30 10 ICEE CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503407500 GZBNIVCIOISNIN-UHFFFAOYSA-N 431.522 0.972 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1537948948 WJDRZFFKVWNBGC-UHFFFAOYSA-N 431.518 0.957 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCn1cccn1 1539071902 GWPYCOZNUGPMBW-QGZVFWFLSA-N 435.554 0.747 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1543504812 BQLJNMSFYSJCMP-OAHLLOKOSA-N 425.493 0.874 30 10 ICEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C(=O)OC 1556971457 YSJZJKSMJIETMT-CQSZACIVSA-N 447.307 0.669 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1584536647 GTSHYEJYOKYELI-BMFZPTHFSA-N 437.518 0.929 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1587307670 WKSGUNVAYVKZEP-HOTGVXAUSA-N 428.555 0.905 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)Cc1ccon1 1587651069 IBHYRQRKCHEXGH-HNNXBMFYSA-N 429.506 0.829 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1587909354 JHQMMOFLVQLQHL-XHSDSOJGSA-N 426.587 0.846 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1588049194 BPJUUVPQBITTMD-HNNXBMFYSA-N 442.501 0.809 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588055043 RUUCTCLWLUVEQZ-OWCLPIDISA-N 437.566 0.917 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1589069762 NRGPYCOIUVXRIK-HUUCEWRRSA-N 429.568 0.203 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1611110575 AVDWWADBGJFZMO-SFHVURJKSA-N 426.516 0.794 30 10 ICEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1O 1620301919 IVEOKFKEIDBGOD-PBHICJAKSA-N 434.522 0.485 30 10 ICEE Cn1nc2c(c1C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CS(=O)(=O)CC2 1626695395 VIDSJWFAHPTHJW-KRWDZBQOSA-N 427.486 0.294 30 10 ICEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1627743133 DKTKXRBXXNRUMO-UHFFFAOYSA-N 429.502 0.833 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCC2CCN(CC#N)CC2)C1 1627910063 SFBZUYGUCDYCDJ-INIZCTEOSA-N 428.555 0.762 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C2)c(=O)nc1O 1640637124 SQJJSEJUPXEUJM-HOTGVXAUSA-N 443.460 0.186 30 10 ICEE C#CCN(c1nnc(C)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689982673 RXGCELJQIBJKNR-GOSISDBHSA-N 436.559 0.828 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1690039409 FCQWDIZCIMTGLF-JOCHJYFZSA-N 429.488 0.862 30 10 ICEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1690165598 DBROTLAUSOIFCC-QGZVFWFLSA-N 429.502 0.991 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1705698993 BCZGXRDNOLCOSB-PXNSSMCTSA-N 440.552 0.974 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)CC1 1722431448 LNLKPZCRSYQBEN-ZDUSSCGKSA-N 438.583 0.106 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 1722603776 NAVRVJAIMOFCKF-HNNXBMFYSA-N 447.583 0.202 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(OC)C1 1722699570 WCMFPAMLUGTGDY-UHFFFAOYSA-N 426.525 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1722728057 NNAFKWPJALDJFD-CYBMUJFWSA-N 445.592 0.874 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740622741 HWSDVGVMUKBGJX-BZSNNMDCSA-N 448.593 0.730 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1740693075 SQLDFIFBYSNCFY-FGZHOGPDSA-N 432.569 0.141 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCCOC)C1 1740959318 RSXURTNQICNMMI-CQSZACIVSA-N 432.481 0.550 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740991266 RTSXPDVTSZMPSJ-CQSZACIVSA-N 431.584 0.522 30 10 ICEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747363875 ZCBSMNBOLCXSLF-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1748962199 CCDSLUHLQYQLFQ-HOTGVXAUSA-N 444.579 0.234 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 1749353864 CDHVBTYRLMWAFM-KBPBESRZSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1749671049 YIRPLNOYHQHGBP-RHSMWYFYSA-N 428.493 0.911 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749713869 ZUQYBQHMXMCHLT-JKSUJKDBSA-N 426.539 0.503 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CCO1 1750388417 OTEJHQWQPJUVRF-GVDBMIGSSA-N 439.538 0.352 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C 1760173317 QTERWEPVIUABHK-KRWDZBQOSA-N 446.577 0.986 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1760188623 PPNMRYYPSBWUPL-QGZVFWFLSA-N 433.538 0.346 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOCC1(C)C 1761462859 BHXAPRWZMPMNBD-HUUCEWRRSA-N 427.575 0.737 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1770342422 CFDPQSISHJSSEP-UHFFFAOYSA-N 433.494 0.109 30 10 ICEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)CC2)c1 1770740467 HELUEPINBWNWCQ-QGZVFWFLSA-N 440.508 0.221 30 10 ICEE C=CCN1C[C@H](C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O 1852701557 ZJXWZSBTSJRWMH-MRXNPFEDSA-N 439.509 0.710 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2=O)CC1=O 1853671086 NITZEAUBIHRTSS-ZDUSSCGKSA-N 425.894 0.734 30 10 ICEE Cn1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255825913 HPGVGNRJSQHYTF-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE C=CC[C@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270534520 OYXYNXDPIUUQEV-APWZRJJASA-N 428.507 0.949 30 10 ICEE Cc1cc(=O)n2nc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)sc2n1 20962137 ZQCXOAGUJGPLEX-UHFFFAOYSA-N 430.515 0.838 30 10 ICEE CS(=O)(=O)O[C@@H]1[C@H](OCc2ccccc2)CN2C(=O)OC[C@@H]2[C@H]1OS(C)(=O)=O 381050155 GUNFRRUVPOHSNU-KBUPBQIOSA-N 435.476 0.096 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542727467 CJHCVQZYXBEPEZ-UHFFFAOYSA-N 442.497 0.945 30 10 ICEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@H](C)n2cnc(C#N)n2)c1 552737977 KGZDARAWWNNBNC-NSHDSACASA-N 441.311 0.876 30 10 ICEE C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 564050588 NBUKYOVOJXLVHB-IBGZPJMESA-N 428.426 0.923 30 10 ICEE C=CCOC[C@H](O)Cn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nc2c1c(O)nc(=O)n2C 606629534 AMOOERVNDHPYSK-UMXKZIAQSA-N 443.420 0.753 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 735069217 OUBUSRXORAZBHI-INIZCTEOSA-N 429.546 0.723 30 10 ICEE C#CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H]1CCS(=O)(=O)C1 746151456 IRSHOWXMVLBOEX-CRAIPNDOSA-N 444.513 0.185 30 10 ICEE C#CCOCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 755562574 KQYHOPNXAVERBF-UHFFFAOYSA-N 428.532 0.271 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802602381 RZAZEKDSXNKDST-DLBZAZTESA-N 435.554 0.364 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccccc1C#N 814249801 ANZAKNPIUSMIOQ-UHFFFAOYSA-N 440.435 0.481 30 10 ICEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1198336101 BUOFUVVNLDGORR-HTAPYJJXSA-N 444.557 0.586 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2cc[nH]n2)CC1 1286470288 WPFDFEGWEFBDNW-UHFFFAOYSA-N 441.540 0.105 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286769188 WMGUGNBTNDEHFZ-UONOGXRCSA-N 436.542 0.472 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286785230 BXCJLCDWWVBVFQ-QGZVFWFLSA-N 429.569 0.981 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286786874 KMFWZPMRWWFMIL-UHFFFAOYSA-N 447.565 0.859 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1287127892 XXMDURLYGXUMTL-GUYCJALGSA-N 429.522 0.493 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1296297471 JBIRZSKFXKQPGC-UHFFFAOYSA-N 439.520 0.512 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1297779048 VDZWZRAHQRUNFN-HXUWFJFHSA-N 443.533 0.615 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300885631 RIRCACMTFGGJME-DFEOGRTESA-N 432.525 0.552 30 10 ICEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)c1 1313164884 PXTYGBCXTOFDQK-LJQANCHMSA-N 438.488 0.596 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCCS1(=O)=O 1316170117 QVMLGUGQWSXPJQ-OAHLLOKOSA-N 426.543 0.778 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1358958401 NIFCOUBTRHRZLJ-SFHVURJKSA-N 440.529 0.922 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCOCC2)CC1 1359040472 WGPNSFUKSCUTOR-SFTDATJTSA-N 446.596 0.870 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1359222758 RFUDJAOLAODTNT-MRXNPFEDSA-N 443.570 0.867 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359302444 HQDGPUPMZCESLL-LBPRGKRZSA-N 426.568 0.805 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1 1359330980 JEXIZXHWUVGBEJ-UHFFFAOYSA-N 433.538 0.688 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccnn2CCc2ccccc2)CC1 1475011920 WCLGMTNYCUWSQI-UHFFFAOYSA-N 429.546 0.572 30 10 ICEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1494600886 AORJZVSRSALRPN-WMZOPIPTSA-N 439.520 0.761 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1503373792 FCRVLYUHFQLMBS-HNNXBMFYSA-N 425.449 0.458 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507635325 RWYGOIHCOSQLDT-MSOLQXFVSA-N 431.518 0.306 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508098479 PNADOLPBBPEBRP-NRFANRHFSA-N 434.541 0.713 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508142867 BSXTVTJALSNSAI-CVEARBPZSA-N 433.490 0.979 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1519435961 IDRAISXWRRKKGL-UVFQYZLESA-N 429.456 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1539473818 CIEMVCFRDMFFJC-DEOSSOPVSA-N 447.543 0.849 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540865060 UKRBHRKMAQTCMF-OAQYLSRUSA-N 428.493 0.966 30 10 ICEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1546516518 HTTXGKKJQIWJEE-NRFANRHFSA-N 444.561 0.978 30 10 ICEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1548275605 GOLPIFYIINHIJG-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(S(N)(=O)=O)CC3)CC2=O)cc1Cl 1557715680 QKDUOHGPQQENBN-GFCCVEGCSA-N 425.898 0.349 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)CC1 1588752004 PJLOMJRXZBEKSF-LEWJYISDSA-N 435.594 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595550231 ALNBAZMLHOHCHG-WMLDXEAASA-N 426.477 0.760 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1615133366 ATYXGADBBQDPMZ-QFIPXVFZSA-N 437.504 0.923 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1617619577 JNAWOGCFYYXGML-NRFANRHFSA-N 439.476 0.848 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 1620583884 AEGAAWUYHWDIFN-GOSISDBHSA-N 429.502 0.911 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1632965859 FJUVCYXUIPTCNU-INIZCTEOSA-N 428.555 0.635 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 1665179427 NVODURCEWKTXSQ-UHFFFAOYSA-N 427.426 0.185 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 1676223387 UWVRFICAEPEUGJ-UHFFFAOYSA-N 434.440 0.923 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689986418 PHNJBLMANDMQLX-XLIONFOSSA-N 431.518 0.772 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(C)(=O)=O 1690042977 KVQXTORIXHWXBO-UHFFFAOYSA-N 448.574 0.746 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1690672554 WASGUSFOXRPHAO-KRWDZBQOSA-N 449.533 0.964 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690731871 SEFXULCGWNOEJY-HNNXBMFYSA-N 442.611 0.951 30 10 ICEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1691367142 BJXVLMIADDPNKG-MRXNPFEDSA-N 445.549 0.544 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1697381219 HTGMETDPVDKKPB-QGZVFWFLSA-N 447.517 0.622 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1705559749 FPENGZOAPCEGAA-JKSUJKDBSA-N 443.595 0.310 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)nc2)CC1 1705632971 GEODLCRXLADIMB-CQSZACIVSA-N 437.957 0.740 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1706870742 HXDIDDGORSUPSW-DEYYWGMASA-N 436.517 0.789 30 10 ICEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1707909902 HXVZOZQSLBJXOO-LJQANCHMSA-N 434.497 0.474 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722358296 FVJXHMKUTLADSE-YESZJQIVSA-N 437.566 0.716 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371091 HBUFWOOLGCJMNW-QGZVFWFLSA-N 447.565 0.245 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722694750 GTAIPGQNAQSRBU-UHFFFAOYSA-N 448.531 0.520 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722700334 FOLBQPIOUFSXNS-MRXNPFEDSA-N 425.493 0.394 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722702685 PMJALSYJHPGSNW-BRWVUGGUSA-N 434.541 0.799 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1748690805 YENGFTYTMSJXHM-TZWCJPSOSA-N 428.493 0.986 30 10 ICEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749752120 IUGYDDLSOONWRS-OAHLLOKOSA-N 427.534 0.715 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749756265 VVFRKVLUDNJRQH-RRFJBIMHSA-N 425.580 0.814 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCC2)C1 1750211329 IVTOQDBEOYPUJU-ULQDDVLXSA-N 436.538 0.696 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCN(C)C1 1761472989 HVMXCHAHZKPJJC-KDOFPFPSSA-N 425.559 0.085 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1769286837 XYUIEOFJLSHMAC-HZPDHXFCSA-N 428.472 0.807 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2255875878 GEGCQVYQDUAKII-QWHCGFSZSA-N 433.318 0.948 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)O[C@H](CO)[C@H](O)[C@@H]1O 254289356 HKKSSKGBBKKMNU-ZNVRAEHUSA-N 427.453 0.905 30 10 ICEE CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481069712 KKXHCFQEXQPYAW-UHFFFAOYSA-N 433.527 0.900 30 10 ICEE CCn1cc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cn1 517934408 SUFAIIKTHZKNAO-QGZVFWFLSA-N 442.501 0.413 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 603797943 NTQHKOITFVYTTN-UHFFFAOYSA-N 442.516 0.186 30 10 ICEE COc1ccc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732652317 VOQUXNNXUWMSNF-SFHVURJKSA-N 448.545 0.457 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)[C@H](C)C1 737873417 VTAFLVHDOSRXAQ-HIFRSBDPSA-N 427.548 0.785 30 10 ICEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n(-c2ccccc2F)n1 768085139 DDIBPJIBZWUNAN-ZCXUNETKSA-N 426.408 0.901 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1 783058260 DHLFJHBGMZJBMD-WOQXAFNFSA-N 434.518 0.952 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 803698402 PCQLAHVVRMHYMO-UHFFFAOYSA-N 444.509 0.928 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1297739588 KGARKSFTAIAJIO-HZPDHXFCSA-N 426.543 0.572 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301458945 LJLJNOUEJGLKGD-CABCVRRESA-N 431.584 0.474 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301585262 JSWJAEITRYDHTJ-HOTGVXAUSA-N 433.538 0.007 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c(=O)n1C1CC1 1307383553 FMIHBDVKTLQDHP-UHFFFAOYSA-N 435.484 0.964 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1358937950 LYJDHHHOJBSPAH-HNNXBMFYSA-N 426.587 0.847 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359034902 GANFGQCRMMPOCE-RBUKOAKNSA-N 430.553 0.422 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359291645 YTNLYZDAYJICTL-KRWDZBQOSA-N 442.524 0.227 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359455810 CHGOYYDTNGECHD-IBGZPJMESA-N 425.493 0.684 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503734194 QNBNYRDRJUZNJM-YSMBZRJOSA-N 443.508 0.271 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1507616510 KJHCSIXTJSGKSZ-SFHVURJKSA-N 447.561 0.956 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507655931 QISLVVBVJZPQLG-FQEVSTJZSA-N 432.477 0.619 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1539225544 OOCMTKCLMAHKHJ-OAHLLOKOSA-N 431.547 0.734 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1541117006 YGQXJKCFDHKNRS-HUUCEWRRSA-N 431.584 0.991 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1547715522 LACAMMXMAFLRKF-NYAYQYMKSA-N 442.524 0.286 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1=O 1555584320 DJVMFZYVPNBGSD-KSFYIVLOSA-N 440.504 0.652 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588074947 UTHGWWSNDTUVKO-MSOLQXFVSA-N 437.566 0.700 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1588314316 ALTUFTGJMWZDBB-HNNXBMFYSA-N 428.493 0.960 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1589216739 WIXBMNKMUVVKSS-DNVCBOLYSA-N 448.553 0.272 30 10 ICEE C=C(C)COCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769313 MNVKPDHPJSIRSF-DYESRHJHSA-N 437.541 0.863 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595562088 NKSBMSYNPTVPTE-LJQANCHMSA-N 425.537 0.725 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1=O 1619938614 BOLYJCYYSKWFAR-GOSISDBHSA-N 428.493 0.773 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2)C1 1645991798 VNADHYLZEQZRKP-RQMAVPSVSA-N 426.539 0.910 30 10 ICEE COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1654572152 ICISPMXYLILSFZ-ZRGWGRIASA-N 430.505 0.964 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1 1683315666 YNYPAGKUFWGHAT-UHFFFAOYSA-N 426.449 0.958 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)CC1 1690112211 RKASXQWTFKZVEI-KRWDZBQOSA-N 445.593 0.758 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1696498719 UBLRMSFSRRVAPR-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705638189 BLWABSOYYFCNAN-QRVBRYPASA-N 429.569 0.484 30 10 ICEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705776761 OQDIBZRNIDCLEB-UXHICEINSA-N 440.566 0.882 30 10 ICEE CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709371532 STYGEBUFSXBCQV-FZFLATATSA-N 443.508 0.542 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711020561 WZQXVHGDNODQBL-DOTOQJQBSA-N 437.570 0.240 30 10 ICEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1711130724 KHRWBYPCNIKZJZ-KTAXROALSA-N 431.472 0.940 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1722364588 IHAKOUSZGDHZMX-GOSISDBHSA-N 430.534 0.417 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1722372265 SPLPISVABUBKBW-QGZVFWFLSA-N 449.577 0.844 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722695256 XZOFHQOFSPSUOM-HNNXBMFYSA-N 449.533 0.888 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1728681933 FLJXDBOIYCYBSQ-GOSISDBHSA-N 445.549 0.861 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731188747 IDYJDOQADMEEQS-OIISXLGYSA-N 441.467 0.441 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CCCO)CC1 1740699087 TYVRWTOIGZFSGJ-LJQANCHMSA-N 429.569 0.003 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1741929900 BXCDYODHBJUSBG-JTDSTZFVSA-N 439.586 0.739 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1748825901 HXNVDBMBNZGVHP-KRWDZBQOSA-N 442.545 0.700 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748846469 HDWDVJZTZVNREP-DBXWQHBBSA-N 432.546 0.981 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCOCC2)CC1 1749001541 VYEILWPOWPBDNG-PMACEKPBSA-N 432.569 0.480 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1760175439 JTBDHEUMKUYKCA-KRWDZBQOSA-N 438.598 0.802 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1760558828 BMPVCYCNKVREJV-OAHLLOKOSA-N 427.527 0.201 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1761290511 ARWYEVTVPDDUSK-CXAGYDPISA-N 446.430 0.726 30 10 ICEE CC(C)S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)C1 1855021743 MNTVGKYJCAMTDL-LJQANCHMSA-N 432.546 0.974 30 10 ICEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(=O)O 2284416074 TZYFXQHJVHKYQM-GMSGAONNSA-N 425.721 0.813 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 467667256 LDMFAVNJVXYOKM-TWMKSMIVSA-N 425.551 0.341 30 10 ICEE N#C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)CCN1C1CC1 732678969 PTDMCJNOIRPFJD-KDURUIRLSA-N 433.516 0.706 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1cnc(N2CCOCC2)c(F)c1)c1cc[nH]n1 772562654 XWYXUBKYIPRFKR-UHFFFAOYSA-N 434.428 0.381 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ncnn2C)C1 1153625401 PKNCSAVNKXVHMG-CQSZACIVSA-N 432.506 0.142 30 10 ICEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1157630168 AJQNKNWBDHJYPM-UHFFFAOYSA-N 431.474 0.046 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286389935 TVPCHYSGHPNKDH-IAGOWNOFSA-N 434.522 0.111 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286792009 JSKMORGIZGTHTF-QGZVFWFLSA-N 428.493 0.419 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300491340 HIEIVTVCNPHHEZ-AWEZNQCLSA-N 449.533 0.794 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300762242 HMGKEVDBJUQIDD-KBPBESRZSA-N 434.609 0.416 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1301506412 KWYPLOPPTXSXIF-UHFFFAOYSA-N 425.537 0.867 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2CCCN2C[C@@H]1CO 1303190392 POGKKLJBLIDXKX-DLBZAZTESA-N 434.562 0.953 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1358978367 KSGQRDNXWZJALW-MOPGFXCFSA-N 433.578 0.610 30 10 ICEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1441649727 KVOCCCBZMNOFCO-SJORKVTESA-N 442.559 0.823 30 10 ICEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1452864120 SHEWCCOMWGIKNU-GFCCVEGCSA-N 433.324 0.878 30 10 ICEE COC(=O)[C@@]1(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CCOC1 1453690745 NOCDROLFJDACRD-HTAPYJJXSA-N 426.473 0.387 30 10 ICEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1478981352 FYEUSOYSCSUXJM-HNNXBMFYSA-N 429.539 0.892 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1507544276 ZLERNEQYODECHS-INIZCTEOSA-N 430.534 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508139987 FNPQYTURKXYLER-UHFFFAOYSA-N 436.538 0.667 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1 1508141314 UZMHDZSCGHGUJL-UHFFFAOYSA-N 441.535 0.175 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)NCC(F)(F)F)CC1 1539431002 QMSOZDMKCLANNC-CQSZACIVSA-N 432.447 0.436 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnccc2OC)CC1 1539476928 HPVNGIYKSDJZPZ-KRWDZBQOSA-N 437.504 0.647 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)C 1539668778 FMTNSFUTVGTNMS-INIZCTEOSA-N 442.586 0.928 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1540853911 VWNBWPCYFCRFHB-ZDUSSCGKSA-N 437.526 0.770 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1 1561295996 AMGVQTFEWMUQNB-UHFFFAOYSA-N 442.582 0.042 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1588040877 RCDVAHKREVAMHU-QGZVFWFLSA-N 436.501 0.620 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588054656 PHZALTNCVJZZPZ-BRWVUGGUSA-N 437.566 0.714 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1589663742 PXUFVFDTFVMCOI-KXBFYZLASA-N 440.570 0.492 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)C1 1595723062 QOSWLFPNXPVZJA-CVEARBPZSA-N 425.555 0.876 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 1617866572 MLTJDJNMXCPUFT-KBPBESRZSA-N 447.916 0.929 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 1632960485 HOLCDFCFMPXGMQ-IBGZPJMESA-N 432.546 0.459 30 10 ICEE O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1634475868 RBADJDNHHHRNEM-UHFFFAOYSA-N 433.408 0.744 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1637119777 ODEZKLJERMNFFW-ZDUSSCGKSA-N 435.893 0.756 30 10 ICEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)O1 1649588247 DIZMNLMKVDPQRZ-JTOWHCCKSA-N 426.543 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1650846162 LZQYNUHCCYCKQY-HNNXBMFYSA-N 449.920 0.176 30 10 ICEE C=CCn1cc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)nn1 1664570986 PVUCSCOLUIAEQE-QZTJIDSGSA-N 435.506 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC1 1669205788 SWYRBRCZQCKBJO-INIZCTEOSA-N 429.493 0.362 30 10 ICEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CCCC1 1682366460 GMWOGIFUTDRZMJ-SFHVURJKSA-N 449.581 0.740 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 1686231349 KBCYQGBTLMOVAQ-IBGZPJMESA-N 447.561 0.015 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1690099571 CLSVVFOVZQPEJE-UHFFFAOYSA-N 443.533 0.721 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690170165 AREMZTTZRRPIKW-DOTOQJQBSA-N 445.593 0.385 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690298407 WURHUJAKGAGWJY-JOCHJYFZSA-N 446.552 0.777 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690714548 ORGYHNXBTOESDZ-DNVCBOLYSA-N 441.554 0.401 30 10 ICEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697956276 BFRBTPWNDXLBHY-KUOYXJDGSA-N 443.508 0.618 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1705909502 ZGTXSESXYXYVOG-DYVFJYSZSA-N 433.431 1.000 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1722350225 QFUAONRPSZASNC-UHFFFAOYSA-N 443.533 0.591 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(C)C)CC1 1722441949 XCHPFUCZRWOCBQ-UHFFFAOYSA-N 443.552 0.348 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722457825 OUDKOLBKJLCBTQ-UHFFFAOYSA-N 435.579 0.867 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1730956207 PYAKDEMQHGUWDH-QAETUUGQSA-N 439.538 0.556 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@]2(O)CCSC2)cc1 1731182141 HPJJBGQTNJIDSM-QRWLVFNGSA-N 428.518 0.908 30 10 ICEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1740884451 BEANXSPPQGZSQP-INIZCTEOSA-N 432.481 0.550 30 10 ICEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)c1 1742364504 QUXBDYUPOFSBIP-GOSISDBHSA-N 449.533 0.956 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748812392 VAEAWEYTJGPOCH-HBIPHATFSA-N 436.563 0.216 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1748817466 KYXRQLXPCIRUIG-HUUCEWRRSA-N 434.522 0.597 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)CC1 1748989827 QDIFPSOUDPLARH-SFHVURJKSA-N 429.546 0.992 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1749037503 DGCYMTVRPXZRCQ-JKSUJKDBSA-N 443.595 0.593 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1749825897 NPLMYSUKXQJQKE-CYBMUJFWSA-N 435.510 0.460 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750011980 FKLCWJLNQFVNLD-UHHPSXQGSA-N 431.497 0.269 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189201 SKOKORCTHBQPRS-WMZOPIPTSA-N 449.577 0.858 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760440796 QMHOFAFSLZWACA-HNAYVOBHSA-N 440.570 0.540 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C1=O 1854241138 JYQQHLCAEURINZ-IAGOWNOFSA-N 437.493 0.446 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)n1 2248582569 JBMJYSNZMRXFCB-UHFFFAOYSA-N 435.311 0.995 30 10 ICEE C#CCn1ncc(NC(CO)(CO)CNC(=O)OC(C)(C)C)c(Br)c1=O 2265810845 VEUYDVZTSXDTGT-UHFFFAOYSA-N 431.287 0.299 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506613981 KSPJHBZDBMQHJP-GCJKJVERSA-N 429.569 0.896 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 549689223 XWXPNFCZIOCRSR-DLBZAZTESA-N 443.570 0.817 30 10 ICEE CNC(=O)CCOC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 752745524 BEWYDWIJPJIXPB-UHFFFAOYSA-N 436.534 0.649 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)c1 813564734 IZMJZPLSDPOUTF-WMLDXEAASA-N 429.546 0.802 30 10 ICEE COc1cccc2c1CC[C@]2(CO)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1197324894 FXYWCPPQXKUMIP-JOCHJYFZSA-N 425.489 0.936 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1251775202 OBDDRKLIKKCPIP-CZIZESTLSA-N 432.502 0.730 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnnn2C)c1 1286309125 HHOLHRCWZZZRSE-QGZVFWFLSA-N 433.476 0.462 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286389339 IGDVEOGEMJWYOS-SFHVURJKSA-N 446.577 0.853 30 10 ICEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1286751613 JMHZSMXJSGOSGO-LJQANCHMSA-N 432.506 0.653 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1300312375 ZGZWKIKYWNMGEF-IHRRRGAJSA-N 433.481 0.493 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCOCCS(C)(=O)=O)CC1 1300698129 OCVTVHSVKDCLHS-UHFFFAOYSA-N 432.550 0.465 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)F)CC1 1300719619 IYPGUBSWIJJZEN-UHFFFAOYSA-N 433.463 0.631 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CC2)C1 1301568968 MITPWTFVPJIOSO-AWEZNQCLSA-N 431.584 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(CO)CC2)nnc1[C@]1(OCC)CCOC1 1301596020 FLDBCFFFUUGPLH-IBGZPJMESA-N 428.555 0.740 30 10 ICEE CN1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 1314925871 DAZXZGCCLRSLCS-MOPGFXCFSA-N 433.513 0.778 30 10 ICEE CN1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 1314925873 DAZXZGCCLRSLCS-RBUKOAKNSA-N 433.513 0.778 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCCCS2(=O)=O)c1 1350732903 BVHLVHURUSJKAH-MNDPQUGUSA-N 428.536 0.864 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1358978909 XUAGYUSYNVJYLS-SJORKVTESA-N 437.566 0.745 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1359292361 NXLCNMIREBDYMY-HNNXBMFYSA-N 427.575 0.111 30 10 ICEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1360563234 GSDFAWCVZLVOLA-RKVPGOIHSA-N 426.518 0.343 30 10 ICEE CSc1ccc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1C#N 1471334991 AAOGQMJPZFIESW-UHFFFAOYSA-N 429.506 0.452 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1499306924 BVQRZQVXTGVGQG-LVHCJKAXSA-N 438.492 0.525 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1507517950 JQQSNCRNEBAHNJ-OXQOHEQNSA-N 440.566 0.716 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)Cc1ccon1 1507677003 SUKOOXSTVVWORB-QGZVFWFLSA-N 432.506 0.700 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507731309 FNFXAKGEHNSYGH-JLUOLNIDSA-N 439.520 0.454 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508078454 AVRWUOCVRURZLV-LJQANCHMSA-N 437.548 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508140776 QQGLAJZJAFKKFW-IAGOWNOFSA-N 436.538 0.664 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1519594382 QWLYMDFTYXHOAD-KRWDZBQOSA-N 443.533 0.567 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1539202782 LEBCTXRQEXIKCC-HUUCEWRRSA-N 431.584 0.705 30 10 ICEE CN(C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)S(C)(=O)=O 1568888627 SSPFOBRWIUAAEW-ZDUSSCGKSA-N 431.511 0.867 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCCN1CCCCC1 1569055399 SORQAZDVZGGTDU-UHFFFAOYSA-N 435.550 0.224 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1588049210 CBWWIIDCEILDEG-KRWDZBQOSA-N 431.566 0.790 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595603063 WVNKCJIKVCCLFB-GOSISDBHSA-N 445.568 0.566 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3ncc(Br)n3C2)c1 1641920284 CVQJVCXNVDHBFQ-GFCCVEGCSA-N 438.307 0.927 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 1679186414 NMKNFUZQRABQSM-UHFFFAOYSA-N 443.570 0.617 30 10 ICEE C#CCN(c1nnc(C)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689980079 LIADINNHOQWOKH-GJZGRUSLSA-N 435.472 0.476 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689989987 KLPVLNNXJHFSNJ-ZNMIVQPWSA-N 446.620 0.558 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1689997027 ULGRRBJHFBASFO-KRWDZBQOSA-N 433.534 0.497 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690655061 FWXDKESCKYKMEK-OAHLLOKOSA-N 447.540 0.920 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696499991 KAUUBCAGMBRHEU-DLBZAZTESA-N 437.570 0.636 30 10 ICEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705519272 FOJCFPBDPQJKBG-UHFFFAOYSA-N 428.537 0.542 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705565288 GJOGNWPNHQUINE-GJZGRUSLSA-N 448.574 0.945 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(N)=O)c2)CC1 1705638014 USAKNKXSFNMPBI-UHFFFAOYSA-N 433.516 0.951 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCOCC2)CC1 1705641834 VTKZIXRHSUQPFK-LJQANCHMSA-N 429.569 0.124 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1705644487 RUOYEGJYKCZBAR-QGZVFWFLSA-N 445.568 0.103 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1705805980 UFSSMDYUUPVHBN-OAHLLOKOSA-N 431.584 0.536 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705907525 PFUILSATYGDYOY-HXUWFJFHSA-N 443.533 0.431 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1712711467 NOOBICSKRXLFQA-QGZVFWFLSA-N 441.521 0.799 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1712712113 JUNGNCRHIWKIPO-CYBMUJFWSA-N 440.476 0.815 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1748129692 UHCBXBJRBRSEQZ-AFOCRCJBSA-N 431.497 0.474 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748960385 JNEGABXOFZGPJG-CABCVRRESA-N 444.458 0.578 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCN(C(C)=O)CC2)CC1 1749004855 OKWXWJIVMFCBMS-UHFFFAOYSA-N 429.569 0.531 30 10 ICEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749324238 SSIVDXCIXOKLPU-UHFFFAOYSA-N 425.555 0.758 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760137166 PFZSLEKAFMMAEK-HUUCEWRRSA-N 425.497 0.565 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCOC2)CC1 1760266021 OGUFXCNUKMPIIU-FGZHOGPDSA-N 447.536 0.047 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770336894 JWYYOUODBYEYJV-CYBMUJFWSA-N 432.506 0.752 30 10 ICEE C=CCN1CCN(C(=O)c2nc(S(C)(=O)=O)ncc2Br)C(=O)C1(C)C 1856392055 HSHSVHTVVWFYLY-UHFFFAOYSA-N 431.312 0.892 30 10 ICEE C#CCCN1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286040570 RJDTZFVWAAJGAP-SFHVURJKSA-N 437.518 0.773 30 10 ICEE CC1(C)OB(c2cnc(N(C3CC3)[C@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204873626 CSTZEOJPWUWKKL-DLBZAZTESA-N 432.330 0.089 30 10 ICEE CC(C)N(C[C@H]1CCN(C(=O)[C@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208091316 RDTSHUQSOUZTAU-DOTOQJQBSA-N 434.346 0.192 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)C1=O 427564481 PVDZSSPAHQVDGJ-CYBMUJFWSA-N 427.379 0.949 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 538497765 NLBBPVHUZXWCGU-UHFFFAOYSA-N 444.557 0.934 30 10 ICEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 562193230 HJZIJUALNFWVNV-UHFFFAOYSA-N 445.501 0.598 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOCC)C1 580966024 XQJPOVVCNPMWNM-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)OCC[C@H]3C2)CC1 764436315 DXDPFOCMFXIGNY-HNNXBMFYSA-N 440.460 0.981 30 10 ICEE C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)C1=O 799129669 SHCHFFNENFJHKT-QGZVFWFLSA-N 441.575 0.492 30 10 ICEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 856697314 FEZITIFSGJCHBS-IBGZPJMESA-N 433.490 0.267 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1286420592 RVXHTVJUUQOQET-MRXNPFEDSA-N 434.566 0.800 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1286469548 IRWQGCBYNSKTCT-HSZRJFAPSA-N 441.580 0.963 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1286599942 FLJPXVUCXDOXQC-YJBOKZPZSA-N 429.543 0.477 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1286608955 WDSJBSPUMKUIAF-KRWDZBQOSA-N 425.555 0.832 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286787830 KCYLRLQBWGCXJN-HNNXBMFYSA-N 428.497 0.061 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300488022 ACLSPULEZFRORG-MRXNPFEDSA-N 437.547 0.121 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300491027 DHGATRIMUFELER-CVEARBPZSA-N 437.566 0.919 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](COC)OC)CC1 1300726238 JHYQFKDZVYHXNV-LJQANCHMSA-N 426.521 0.891 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300762246 HMGKEVDBJUQIDD-UONOGXRCSA-N 434.609 0.416 30 10 ICEE COC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OC(C)(C)C)C1 1305591349 XHEDWGUMFMZGLB-FQEVSTJZSA-N 433.465 0.477 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358933641 ZZWBPDHLGNDWFF-LJQANCHMSA-N 441.580 0.947 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358965425 VAZFLSUVFYMWEI-QZTJIDSGSA-N 431.518 0.306 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNC(=O)C(C)C)CC1 1359030792 FYWQTRGWLNCEIJ-JOCHJYFZSA-N 432.569 0.848 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC)CC1 1359044350 DDANJBIFXCLVLG-KRWDZBQOSA-N 437.566 0.920 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1359301018 PFPDIRXIUQKUDB-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE C#CCN(C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1464383228 OFKKQMODPODEBG-IFXJQAMLSA-N 425.507 0.791 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1505001027 SMCBSMOXWHOFGF-ZWKOTPCHSA-N 436.557 0.966 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1507670857 DHFIJGAIGHDNQN-GOSISDBHSA-N 442.501 0.587 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508086961 ACZOFJYOQHJSJD-QGZVFWFLSA-N 447.540 0.049 30 10 ICEE CC(C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509005511 YYGSXGCUOZPZEN-ZZEZOPTASA-N 444.540 0.138 30 10 ICEE CCCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1514551999 OVGHDEPNNIUDJI-CVEARBPZSA-N 442.542 0.156 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588065012 RDQWHSBICLLVAK-QGZVFWFLSA-N 435.550 0.106 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1618846896 BBLQNIJPUVDEPR-OAHLLOKOSA-N 448.505 0.277 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(OC)CCS(=O)(=O)C2)cc1 1622886386 DBXBTKXPMMDUIB-QGZVFWFLSA-N 431.536 0.818 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1659967113 GWRJHIWACQVTEW-MRXNPFEDSA-N 426.477 0.399 30 10 ICEE CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1cccc(Br)c1C#N 1665503282 GPUYKXWTFHCHCS-UHFFFAOYSA-N 425.268 0.476 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CC1 1673454702 UWLJBCYKXXCFBH-ROUUACIJSA-N 449.577 0.913 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1690011723 ANILUNAZIARKIY-OAQYLSRUSA-N 425.562 0.959 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1690729383 NSMOGDJWHDISRN-UHFFFAOYSA-N 447.565 0.552 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691181617 WXFCAVQCGXNTSA-IAFNSTAXSA-N 442.524 0.607 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1705551011 DWFSKUDKXLFLGC-KRWDZBQOSA-N 430.534 0.530 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705899988 MNDHBACHCSNXIE-INIZCTEOSA-N 447.565 0.750 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722368465 RYZUKUFTXFTCTP-HOTGVXAUSA-N 438.531 0.448 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722380122 DWFWCZMBNITKRR-GOSISDBHSA-N 445.527 0.986 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1722413905 SIFBSJAGXJHIJR-MRXNPFEDSA-N 426.587 0.658 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1722695711 NICOGZKDUPUFFM-AWEZNQCLSA-N 438.496 0.041 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1729372366 BSZMRSFABNBDRK-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749669699 JLPNAEXUHYXPOV-CABCVRRESA-N 431.497 0.295 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760190843 VAMHGYSQYYPIHN-HZPDHXFCSA-N 433.559 0.836 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1760522649 YHGCVHFOIQGXDT-PBHICJAKSA-N 426.477 0.795 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1771352010 GPLDTNLUGVWHCC-MRXNPFEDSA-N 428.518 0.953 30 10 ICEE COCCN(CC(=O)N1CCCC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)S(C)(=O)=O 1855407475 KTVVBNMLYXOHFL-DLBZAZTESA-N 440.566 0.428 30 10 ICEE Cc1cccc(O[C@H](C)C(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856918402 DCXKZWHNWVXKEM-IAGOWNOFSA-N 434.518 0.361 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255863168 LPVVAKWJTBHVSU-UHFFFAOYSA-N 434.302 0.519 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286039751 JXGMKBBTKNKUTF-SJORKVTESA-N 436.490 0.368 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440379843 NBZZJZVAQCEJEU-INIZCTEOSA-N 426.498 0.829 30 10 ICEE N#C[C@@H]1COCCN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464797832 HBQCMBJTTGKWPR-CYBMUJFWSA-N 430.280 0.553 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)o1 480936080 RGTWRCPKUMWDKC-INIZCTEOSA-N 443.525 0.954 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC)CC1 549104105 LJUBEQKZJXTJDQ-UHFFFAOYSA-N 446.581 0.682 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 612196974 VIHGBVQRMQVCAX-UHFFFAOYSA-N 426.542 0.755 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 685549480 UJJLPKORVBONGK-SFHVURJKSA-N 448.549 0.829 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)n1 790428430 HXCAEYQCVPHHPN-UHFFFAOYSA-N 447.538 0.230 30 10 ICEE COc1ccc(CN2CCCN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 798744189 IAYCVHMCSYYFFY-MRXNPFEDSA-N 426.477 0.997 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1161952901 IAZYSHAXNPOHTK-AWEZNQCLSA-N 425.532 0.795 30 10 ICEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ncc1Br 1162145833 CQGPXIMRNLFCEU-UHFFFAOYSA-N 440.279 0.919 30 10 ICEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)NC(C)C 1289201549 PDUPWLWSGZSXDN-KSSFIOAISA-N 441.531 0.392 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300559505 RDHDJCUATZRETR-NQIIRXRSSA-N 449.577 0.817 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1300579817 ZZSQPJIDMNQXIZ-OALUTQOASA-N 448.593 0.416 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)c2)CC1 1300683799 SZYIYFWRTWUNKU-MRXNPFEDSA-N 434.570 0.010 30 10 ICEE CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1353687251 POGJRDWLSIRUMT-CQSZACIVSA-N 425.507 0.789 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358956836 LIPKSAWHXCNFPW-HLIPFELVSA-N 440.566 0.839 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1359327280 XHIZPJQVOJKWBD-UHFFFAOYSA-N 434.522 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359327663 HNZSKFALPFGFJO-OAHLLOKOSA-N 429.543 0.917 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1467891114 KNRFCOJTTWAVGN-HNNXBMFYSA-N 445.545 0.676 30 10 ICEE C=CCn1c(SCC(=O)N2CC(NS(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1470761101 BZKCQLLBAHWFKR-UHFFFAOYSA-N 442.954 0.881 30 10 ICEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503276918 GUXKXQAGLDPMFJ-UHFFFAOYSA-N 449.585 0.581 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1507601399 PTFRRTMCGDZART-LLVKDONJSA-N 430.332 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1508139032 CIADWICQRIPBMZ-UHFFFAOYSA-N 446.533 0.875 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517304311 MDNQIVUVXGTCTH-FBMGVBCBSA-N 436.538 0.943 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1539612270 KBXOZAPMSRDZTN-ULQDDVLXSA-N 432.525 0.447 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1541116832 VXDXQPLKEPPGGV-CABCVRRESA-N 437.526 0.876 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049806 LMAYPVBQERVYBM-HNNXBMFYSA-N 445.549 0.524 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1594963870 YSKKZGLPOCCBEE-CQSZACIVSA-N 444.558 0.758 30 10 ICEE Cn1ccn2c(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2c1=O 1598009286 MBBYZWWULQLPTA-CYBMUJFWSA-N 439.863 0.665 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1621673128 CILQPWMAZAPOOP-CQSZACIVSA-N 426.516 0.182 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1=O 1626247370 WPCBVPVHQDELBU-CQSZACIVSA-N 427.548 0.752 30 10 ICEE C[C@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)N1CCS(=O)(=O)CC1 1628035714 AGQJKOULYGYRRN-NSHDSACASA-N 444.307 0.461 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCOC)C1=O 1647749561 GSDMDQZLHQHUDC-AWEZNQCLSA-N 438.481 0.448 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1653357332 IQQYYQKZELFKOM-YOEHMKRZSA-N 434.250 0.740 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1690047666 WONWSXHFJGNZQT-MRXNPFEDSA-N 429.502 0.553 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(COC)cc2)CC1 1690112199 RFUIYTKNMOMWHM-QGZVFWFLSA-N 446.577 0.838 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705581347 ZETJRUVCSWGICI-BZSNNMDCSA-N 438.511 0.648 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1705621663 KHOMFVRTZNCFQW-HNAYVOBHSA-N 427.571 0.916 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1722316284 GQCBMGANCWAHKD-KRWDZBQOSA-N 438.554 0.083 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722363970 DGPBDAFNSJRLIR-MSOLQXFVSA-N 433.534 0.552 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1722368570 SBNDPMOLYXTORH-GJZGRUSLSA-N 425.580 0.999 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1722394167 OPGOFKSHJXVSFI-QHCPKHFHSA-N 432.484 0.806 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722703044 UHAUIDZMGXHWFT-GOSISDBHSA-N 428.541 0.878 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1740554210 XJHHTFGSGAUBDX-GVDBMIGSSA-N 447.565 0.528 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740623428 SYSHHEWFPVCYHG-OAHLLOKOSA-N 426.564 0.750 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1748818042 UWQAEUCTSGKXEQ-DLBZAZTESA-N 431.518 0.861 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749019625 BGPRBPGFXUEEQN-QGZVFWFLSA-N 429.550 0.982 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1749158972 NPFDFXULMCUXBW-HNNXBMFYSA-N 428.559 0.492 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760180370 CTEKSZWLNKQEPI-BBWFWOEESA-N 426.539 0.665 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1760281347 MNNYOXZEZUAAIQ-HNNXBMFYSA-N 425.580 0.605 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1 1760532269 QQZWZQMWGIFWTK-AWEZNQCLSA-N 434.522 0.438 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1760557799 WOEQTEZZNDUSHV-SFHVURJKSA-N 449.581 0.261 30 10 ICEE CS(=O)(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1770357278 BCEJSXKAZDUVJS-KRWDZBQOSA-N 443.533 0.949 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1771188094 TVXBTTNDQYKPHV-HNAYVOBHSA-N 441.554 0.682 30 10 ICEE N#Cc1ccccc1NC(=O)COc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1865838247 WESQNVWNUJAYBX-OAHLLOKOSA-N 432.392 0.977 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255647369 XUOZTOJEWQHSIN-KBPBESRZSA-N 434.302 0.486 30 10 ICEE Cn1nnc(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 2312856559 ZXAOZCXKNGDPGN-UPJWGTAASA-N 433.318 0.852 30 10 ICEE C=CCOC[C@@H](O)Cn1c(NN=Cc2ccc(O)c(OC)c2)nc2c1c(O)nc(=O)n2C 2328609052 WWSQFLBNKHWCBR-ZDUSSCGKSA-N 444.448 0.559 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=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 428002381 WYMCBNCGPPJSBY-NHWUILKBSA-N 427.526 0.850 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1 439898751 GMGUPIIOMQZEKU-QAETUUGQSA-N 436.486 0.716 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 446959265 UNFSZPKHGCPAAP-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE COc1cc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)ncn1 461178254 DVVPIPDZRVXINE-QGZVFWFLSA-N 449.471 0.911 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1 461319014 UNABSCBNBWJGEW-UHFFFAOYSA-N 430.552 0.105 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)n1 546904522 VNHITCMVCVTUEW-UHFFFAOYSA-N 427.486 0.611 30 10 ICEE CN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)CC1 585472534 ORQDSSDDDOHLPQ-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE N#Cc1cccc(C(=O)NCCNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)c1 586409167 UDCPNEXHAUKLFW-UHFFFAOYSA-N 431.543 0.642 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 729330708 IAOBTLVUWFXLNR-MRXNPFEDSA-N 440.543 0.278 30 10 ICEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(CCN3CCOCC3)c1=O)OCO2 758951855 RJWVEWKFHYTCPR-UHFFFAOYSA-N 440.481 0.006 30 10 ICEE N#CC1(CS(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCCCC1 760401023 HWGKFVNYJGZYLY-UHFFFAOYSA-N 444.513 0.978 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCOC[C@H]1C1CC1 766056303 KFDPUOGYONDRPO-INIZCTEOSA-N 435.502 0.686 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856611455 KQNRIEGCUQIZTP-FHLIZLRMSA-N 441.513 0.602 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)[C@H]1c1nccn1C 1131128121 CLCOQVYNIRIURW-ROUUACIJSA-N 428.518 0.990 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 1140627309 RUFZFRTVYINVQU-UHFFFAOYSA-N 441.531 0.751 30 10 ICEE CCN1CCN(C(=O)Cc2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1148884619 GBBZPHRVXGAQRC-UHFFFAOYSA-N 438.488 0.556 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286398766 ORAXOHZHGXJQTC-ZWKOTPCHSA-N 437.566 0.479 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1286523579 ZOZMXDVTYWGVNE-JTDSTZFVSA-N 439.538 0.019 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286786671 WMADOAKJMRSZLR-KRWDZBQOSA-N 425.493 0.564 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(O)cc2)C1 1302483276 GOIQBEOVDIJRLQ-IAGOWNOFSA-N 448.505 0.094 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1316264670 QJPXRBRSZKGRPD-UHFFFAOYSA-N 448.549 0.951 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1318132476 QRXSLSLTRIUNQB-OAQYLSRUSA-N 440.481 0.583 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1359069972 CCAMPADRCNUQAB-VQIMIIECSA-N 434.522 0.948 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1503781991 YFAZEIFCBBGMDP-SBCIHWNMSA-N 443.508 0.413 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1507536044 AAVPXGKEZNBSME-INIZCTEOSA-N 442.545 0.914 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1508091873 PLJDCVLDZQAPBD-CVEARBPZSA-N 444.540 0.913 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1539326300 UOECFKOPKPTZQB-SFHVURJKSA-N 429.502 0.803 30 10 ICEE CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CC1 1541006981 IEXIJGAJUHMXRW-UHFFFAOYSA-N 442.568 0.695 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1554502298 HWGGTLIIWRJWHW-INIZCTEOSA-N 436.494 0.240 30 10 ICEE CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1613422515 CZQFKJOAPIMAJH-CABCVRRESA-N 426.481 0.959 30 10 ICEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1618787942 AMEXCKUOVPESKW-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE C=CCOC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1626205081 VWEIDBPHLFYLSH-HNNXBMFYSA-N 427.475 0.872 30 10 ICEE CN(C)S(=O)(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1634914365 GIIJGYUQFSNAMB-UHFFFAOYSA-N 428.536 0.046 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1640675045 KLTSQWIYIRJASN-QGZVFWFLSA-N 444.517 0.565 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1655172919 SBTYSWMOOCNWRV-UHFFFAOYSA-N 425.938 0.633 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1689826541 PVHHUACDRVZWQT-KBPBESRZSA-N 431.584 0.704 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690143905 GGRUSJCRGZQBFR-GOSISDBHSA-N 448.593 0.935 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705569557 HTXOIAVIUBYNLM-UTKZUKDTSA-N 442.545 0.369 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705704127 ZDNKBOLGTHUIEJ-BEFAXECRSA-N 444.540 0.288 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705934283 HWLPBQUNNLXFJI-DOXZYTNZSA-N 439.538 0.214 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(OC)c2)CC1 1722437263 BQFKGKWJDJUNOX-UHFFFAOYSA-N 448.531 0.872 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741198690 HMQAYYUFRUESGY-ZBBYCGENSA-N 443.552 0.914 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCN(C)C 1741924187 ZYYSIFMTKMJHGE-OAHLLOKOSA-N 427.575 0.597 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1748260460 LKNMINXPCXRIHM-DXQAYGFFSA-N 431.497 0.618 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1748818436 ZPTCWVNISZOYRO-SJORKVTESA-N 435.550 0.325 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)CC1 1749014053 DAZGYGFMDBSWPY-SJLPKXTDSA-N 449.577 0.573 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNS(C)(=O)=O 1749067364 RHQBOHWYSYEOOS-RHSMWYFYSA-N 429.568 0.112 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1760097198 BKDXJJXVRURQRZ-GJZGRUSLSA-N 434.570 0.907 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760515193 QUJLHFZPHNHPTA-UHFFFAOYSA-N 427.513 0.144 30 10 ICEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1761779208 CIAKLBDSWSFLEB-FZKQIMNGSA-N 437.501 0.386 30 10 ICEE CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1768153155 DBQNFEICGMLPPJ-MAUKXSAKSA-N 426.543 0.778 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1772887308 RDTJEFWGJVDFEU-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE COc1ccc(Cl)cc1C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856848963 AWOKYSCQEUEGGO-AWEZNQCLSA-N 440.909 0.561 30 10 ICEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCC#CCN4CCOCC4)C3)sc2c1 1889337963 MOEMYFRJXHILKQ-UHFFFAOYSA-N 448.570 0.588 30 10 ICEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 1890602382 PKTSQBPHFBXFIT-LJQANCHMSA-N 425.595 0.458 30 10 ICEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)C1 2244274754 IYJQQAKWHBEGBE-UHFFFAOYSA-N 429.514 0.964 30 10 ICEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843595 IZFHLXBSAZBBBZ-UHFFFAOYSA-N 436.318 0.735 30 10 ICEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 20837561 LOHTWIQQASAGLF-UBKPWBPPSA-N 435.495 0.362 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 460807079 YRDLQNHKGTXKIE-ZBFHGGJFSA-N 426.543 0.244 30 10 ICEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 511139672 IBLKROGCSHDGNW-DLBZAZTESA-N 439.607 0.813 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 604175999 QXSGRHUYLVNCPH-UHFFFAOYSA-N 447.536 0.292 30 10 ICEE CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CCN2C1=O 610657961 DUSZXGQYXPYKSE-ZDUSSCGKSA-N 427.280 0.978 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 728857620 PRPDQADMDNAYCP-UHFFFAOYSA-N 444.351 0.913 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 737305010 DSZQZZFLKATZDR-JGWKNBOWSA-N 446.435 0.965 30 10 ICEE CCn1nc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c2ccccc21 769887356 STTQJCOTKDPYTQ-UHFFFAOYSA-N 434.525 0.638 30 10 ICEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 782250333 UBZHZFYUSIAMCT-UHFFFAOYSA-N 436.489 0.967 30 10 ICEE Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(=O)n(C)c1=O 918536017 OPBUDMORIXREPO-GQCTYLIASA-N 442.375 0.493 30 10 ICEE Cc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)s1 1084654646 SOKZFBBJFMKZMD-UHFFFAOYSA-N 436.527 0.947 30 10 ICEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1CCOc1ccc(F)cc1 1134056001 JOSVINZPWKINJC-LIRRHRJNSA-N 433.465 0.815 30 10 ICEE C[S@](=O)C1(C(=O)N2CCN(C(=O)CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1137371139 HBAKDVVIWNAOOI-LJAQVGFWSA-N 426.539 0.719 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1154958637 HRKZNTKKHKOMME-PKOBYXMFSA-N 434.562 0.430 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286389328 IAXABXLXXQZKIL-QZWWFDLISA-N 437.566 0.917 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)CC1 1286483529 OTOHBVQCNNFPFL-LJQANCHMSA-N 430.553 0.599 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1291193684 HFMUKRCUDCECPI-ZYSHUDEJSA-N 440.504 0.936 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1300496427 RFMOPJQOXXMPSX-MSOLQXFVSA-N 439.582 0.725 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)OC)CC1 1300711806 HQJSOOMOFUSMDG-GDBMZVCRSA-N 440.570 0.279 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1301257955 HUPPTDDUCZVKOQ-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCOCC1 1358941313 FEOZFVCTRXXDGJ-QGZVFWFLSA-N 446.577 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)CC1 1359041628 CVQGKFRMTROHGI-UHFFFAOYSA-N 439.476 0.907 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1462874484 OMEJZTBIVAERED-HNNXBMFYSA-N 426.516 0.155 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CC)C2CC2)CC1 1507734339 VQDYESSBHFYWDU-UHFFFAOYSA-N 429.569 0.866 30 10 ICEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1508095362 WUCOMCYHGYWFJV-KXBFYZLASA-N 441.554 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1508142722 GCXMDYRAUNVETI-UHFFFAOYSA-N 444.517 0.608 30 10 ICEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1517600384 YXOUAQQQVCAQDW-UHFFFAOYSA-N 431.504 0.993 30 10 ICEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1529540121 MTXIUGTUWUFVGL-UHFFFAOYSA-N 447.517 0.952 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1539225542 OOCMTKCLMAHKHJ-HNNXBMFYSA-N 431.547 0.734 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCS2(=O)=O)CC1 1539446419 YJYQZERTOMIPLP-UHFFFAOYSA-N 429.550 0.439 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539514485 QPGPFCPYMJWYMR-XOBRGWDASA-N 445.549 0.410 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540902208 CQCLEADGCHVUEY-KRWDZBQOSA-N 437.566 0.974 30 10 ICEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OC 1588127160 IXHZOOWHUBRCNR-MRXNPFEDSA-N 426.491 0.954 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2ccco2)CC1 1588732479 BGRIEGJVIHGJTL-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1594732918 JLEWAMOOZCNSAR-CVEARBPZSA-N 440.570 0.669 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](C)C1 1595760877 UNDFUPBVGSWJGQ-KKUMJFAQSA-N 433.600 0.971 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c(=O)n1C1CC1 1614827154 FKOZHECEQFTQCC-GFCCVEGCSA-N 427.436 0.658 30 10 ICEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 1636660680 MKQMFELAJLICCL-UHFFFAOYSA-N 438.546 0.961 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)CC1 1640201743 NUTCODYKHQBWCS-UHFFFAOYSA-N 441.532 0.882 30 10 ICEE CNC(=O)CN1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1648374425 BHTAVFWRNYCZBF-HXUWFJFHSA-N 430.528 0.288 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 1650846239 OMUVYZBOFXGCKL-UHFFFAOYSA-N 432.344 0.626 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 1679791284 PTGCFFFTPUBPNN-UHFFFAOYSA-N 448.399 0.809 30 10 ICEE C#CCN(C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1682263490 PXSWNQIYKRJANU-HZPDHXFCSA-N 439.509 0.571 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690111775 JTYWOPIQLNTWTM-IAGOWNOFSA-N 446.577 0.745 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186125 LQGOORBJDSYSLJ-OXJNMPFZSA-N 434.566 0.899 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1)C1CC1 1690545610 VENVCRFJPHOILE-HZPDHXFCSA-N 427.527 0.181 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1722355010 OFBUVOSXZBROSH-KRWDZBQOSA-N 432.502 0.800 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722492454 SOLSEVREOGEOAV-WMZOPIPTSA-N 429.529 0.718 30 10 ICEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1724743997 FKHCHDNDFXUGAS-QZTJIDSGSA-N 446.533 0.697 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1726694874 ZBUGKOWUDLTXLZ-IVCWUWDKSA-N 443.508 0.713 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1740626049 RQAAQUBMBYHTNP-MRXNPFEDSA-N 443.508 0.812 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C)CCOC)CC1 1740694468 KIVSMYNHQBXTAK-UHFFFAOYSA-N 443.552 0.729 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC(C)(C)C2)CC1 1740701175 XDKYTRSQNGGDPC-PMACEKPBSA-N 446.596 0.868 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)c1 1748691955 AIKYEZLFQSXVDL-QGZVFWFLSA-N 447.503 0.955 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748814406 FMBWXKNFKXINBG-GJZGRUSLSA-N 430.552 0.191 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1748847224 PMLRQAKICRDEKB-LJQANCHMSA-N 439.541 0.960 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCOC2)CC1 1749015290 BQGLNGVFIVUVCF-QGZVFWFLSA-N 428.537 0.793 30 10 ICEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1760160810 PELKIQULTGTIRR-UHFFFAOYSA-N 430.896 0.790 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760174113 DPYJHHFTVSGTAP-HZPDHXFCSA-N 433.509 0.733 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1760188622 PPNMRYYPSBWUPL-KRWDZBQOSA-N 433.538 0.346 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1760192865 OQGRFETYTDOHRN-QGZVFWFLSA-N 434.491 0.943 30 10 ICEE CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1760695355 GDTXPSJRUSFGGG-CVEARBPZSA-N 427.575 0.547 30 10 ICEE Cc1nn(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(C)c1S(=O)(=O)N(C)C 1851095881 KLUNMOHHBBJEGB-UHFFFAOYSA-N 430.534 0.971 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 1858310046 PFXKWVDIOPHAQS-KGLIPLIRSA-N 444.435 0.991 30 10 ICEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)CC1(C)OCCO1 2282344637 WOIWWLQVRWSRFL-ZDUSSCGKSA-N 429.348 0.787 30 10 ICEE C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1cccc([N+](=O)[O-])c1 63287169 WZKSVASWEKRACJ-LJQANCHMSA-N 436.534 0.914 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481980262 KMFQLRAIQGVRDE-AWEZNQCLSA-N 426.523 0.804 30 10 ICEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)CC#N)CC1 503624816 AWUPPRDCNMAQTI-HNNXBMFYSA-N 442.538 0.810 30 10 ICEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 547324295 ZFWPCVVMIKSRFE-CQSZACIVSA-N 425.532 0.604 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 557345393 COWLSGCHLZJKDT-CJNGLKHVSA-N 428.536 0.107 30 10 ICEE C#CC[C@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1=O 606445088 REWGHOIZHYUXEH-CRPZLVSXSA-N 430.486 0.075 30 10 ICEE N#C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCN1C1CC1 736405681 LOGOPUXOEXOMRE-QGZVFWFLSA-N 425.555 0.341 30 10 ICEE N#C[C@@H]1CN(C(=O)c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccn2)CCN1C1CC1 746247855 PIPGHOSEDPCVOY-VQTJNVASSA-N 433.516 0.706 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758094131 BVWIOMLAHQKFOE-KRWDZBQOSA-N 441.557 0.867 30 10 ICEE CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 802632623 LPTSDHFSVSLQPE-QJIFYWSCSA-N 435.506 0.175 30 10 ICEE C#CCNc1nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1 804523666 YIUIFLCUJSMOGS-ZDGDKENJSA-N 438.536 0.759 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 1140132245 AJXJZAJXKKXPOX-MRXNPFEDSA-N 444.536 0.750 30 10 ICEE C[C@H](CC(=O)N1CCN(c2cc(F)ncn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1141254821 GYYGXOSHNMYTEJ-CYBMUJFWSA-N 432.481 0.782 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286823841 QQQFHPKQPUORAI-KBPBESRZSA-N 430.600 0.865 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301458844 GGYXBCIYUGTQOQ-HNNXBMFYSA-N 430.538 0.606 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CC2)C1 1301568969 MITPWTFVPJIOSO-CQSZACIVSA-N 431.584 0.870 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1302438507 HYOSUXDDUMEYAY-AWEZNQCLSA-N 438.460 0.821 30 10 ICEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1303173338 GMCWCURMSREYIE-GFCCVEGCSA-N 425.836 0.954 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1314558518 CWUZFSCIEDOYOJ-GRDNDAEWSA-N 430.506 0.383 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359306174 YEJKJENFUUUZPF-NHCUHLMSSA-N 434.541 0.583 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359331830 IYAHFLJWEYWKFJ-HOTGVXAUSA-N 438.554 0.135 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1493168816 HXNZTKLICIQHJG-INIZCTEOSA-N 437.504 0.733 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1508057445 BJWIDVNCKFKCLN-CYBMUJFWSA-N 437.551 0.691 30 10 ICEE CCN1CCN(C2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)C1=O 1515925909 HFGLPDWTMCJWDC-HNENSFHCSA-N 442.524 0.839 30 10 ICEE CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1539117596 AIVZHFWQQFMDTI-WCHVHBCKSA-N 439.559 0.290 30 10 ICEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584122608 QBKQZADMZQNNLA-ZFWWWQNUSA-N 428.308 0.685 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588024389 AWWNEJAATMGLPS-OXJNMPFZSA-N 435.550 0.302 30 10 ICEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N[C@@H](C#N)CO)c1=O 1624091038 OPXQVLOTNLIVDA-NSHDSACASA-N 429.271 0.750 30 10 ICEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCC#CCN(C)C)CC1 1639129633 HMIPHSPTTFDSEY-UHFFFAOYSA-N 440.522 0.264 30 10 ICEE O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1640908200 VKNLZDHUGRPKIQ-UHFFFAOYSA-N 427.482 0.946 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC1CC1 1690013098 BAUHAJWGQBBLNP-UHFFFAOYSA-N 439.545 0.837 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690508407 IGADRLRAQKRQON-IXDOHACOSA-N 443.570 0.411 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1690523774 OHZFCJRRSURGIL-UHFFFAOYSA-N 431.522 0.706 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690644370 HLAPPFGFSLQSTI-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705560599 IOETXYYBARWTOZ-CVEARBPZSA-N 431.509 0.569 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705663831 DPPIKVZKCPSLRW-UHFFFAOYSA-N 442.549 0.354 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1705699468 HKBHLBMXCJXQLX-BBWFWOEESA-N 443.570 0.675 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1705936151 KTDCIIHNHUTZCC-QAPCUYQASA-N 446.595 0.786 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722362860 WROXMWMBTKEABL-GOSISDBHSA-N 442.549 0.672 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1722414319 ZHUOZWYNJNJCDT-QGZVFWFLSA-N 448.549 0.126 30 10 ICEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722455221 QNKLNBYLQRKOSO-MRXNPFEDSA-N 440.529 0.467 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1722726954 DDHBSAXBWWCRLQ-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1740565577 XGBXRNCZZLNRPY-UHFFFAOYSA-N 436.524 0.984 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1740655395 AORVSEQTPLSOAB-IRXDYDNUSA-N 437.591 0.827 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1740664538 UNOWNYIZWUBVLT-UHFFFAOYSA-N 428.522 0.832 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC1 1740706611 XZICVRCDHXYONZ-JGVYIQDASA-N 432.550 0.106 30 10 ICEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747606564 GSEFUWAAXRFITI-UHFFFAOYSA-N 430.538 0.640 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(CC)S(C)(=O)=O 1748670738 BGFCCFWPUDFXKX-GJZGRUSLSA-N 431.584 0.310 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1748751198 DARRRJUYYUFWID-JKSUJKDBSA-N 428.580 0.997 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760272245 DJEZCWOJCBQSHJ-QGZVFWFLSA-N 447.609 0.526 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1760688941 QDCMXJZVJHOSJG-LZQZEXGQSA-N 441.554 0.464 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1761357454 CASXBYRPMRAXCG-ZDUSSCGKSA-N 440.551 0.636 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1761359883 BSTPZRHZYCRJCW-CYBMUJFWSA-N 435.510 0.780 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C(=O)C2)C1 1856842053 HUKGNVHKJQCZTR-SJORKVTESA-N 440.541 0.893 30 10 ICEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)C(F)(F)F 2267606449 XVPZOLRDCFBOJM-GHMZBOCLSA-N 445.251 0.643 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 541085156 AEKBEXWXQHVNNJ-UHFFFAOYSA-N 437.294 0.840 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 603801081 XWUDORMUSVSZIN-QGZVFWFLSA-N 425.510 0.879 30 10 ICEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771298778 XSQBFFZGZCQEDD-BTYIYWSLSA-N 449.529 0.972 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C1CC1 793470459 ZEWZPJZHUJJKLJ-UHFFFAOYSA-N 433.493 0.959 30 10 ICEE C[C@@H](CC(=O)N1CCN(CC(F)(F)F)C(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 803599067 AKXVBLGAJRKFRR-NSHDSACASA-N 432.424 0.737 30 10 ICEE Cc1c(Br)c(C)n(N=Cc2nccn2S(=O)(=O)N(C)C)c(=O)c1C#N 814919585 NFDVWZBOXOOHSP-UHFFFAOYSA-N 427.284 0.833 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1286325504 YNZFTJRGUAPJNB-IRXDYDNUSA-N 441.554 0.266 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1286377626 ZSQAZPDXJJJQNT-MRXNPFEDSA-N 447.521 0.219 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286388161 YXBAYXVTXLTNRQ-OXJNMPFZSA-N 433.534 0.754 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1286790995 RGBOKRVUTNVENM-UHFFFAOYSA-N 445.568 0.251 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCN(CC#N)CC3)CS(=O)(=O)[C@@H]2C1 1293712417 CFQKXNIUHDMCLT-BZUAXINKSA-N 426.539 0.324 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1300732303 AJAHXVPYLPVQFD-MPGHIAIKSA-N 443.595 0.639 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1301475020 KDUJHJGZTAMEEZ-UHFFFAOYSA-N 439.524 0.687 30 10 ICEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1)[C@@H]1CCS(=O)(=O)C1 1311059027 HTWMUZCHCSIWIL-OAHLLOKOSA-N 429.520 0.266 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358949080 SGCBVZQMJCWZSI-GJZGRUSLSA-N 449.499 0.903 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1358955312 JOEZXNSBUXKXHM-SJORKVTESA-N 433.534 0.486 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1359010191 JLCCDWUEOUYDGD-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CN(C)C)CC1 1359044753 NSIPVISXHBYVFU-KRWDZBQOSA-N 429.569 0.783 30 10 ICEE CS(=O)(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1505146769 NLXZUSVPLVIWEL-KRWDZBQOSA-N 434.522 0.568 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627664 FPKQXLZYRQKLRC-INIZCTEOSA-N 430.534 0.739 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nncn2CC)CC1 1507740829 ZMMCGMOXUVLHNL-UHFFFAOYSA-N 433.520 0.889 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508092648 QPMPEPFIOFLPKF-LAUBAEHRSA-N 429.525 0.826 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCO1 1510219799 RBAMCQXLQDZDCD-USXIJHARSA-N 437.570 0.634 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1539405762 KYFCQSRPJHHYMX-UHFFFAOYSA-N 447.517 0.795 30 10 ICEE Cc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542753837 QGGALRGCKALEQI-QURGRASLSA-N 449.515 0.982 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1587932123 LXAWPZUCHIHXFL-DLBZAZTESA-N 433.534 0.805 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1588233999 YCGCBLCUVLEFBA-MRXNPFEDSA-N 437.591 0.970 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1595477403 UMDIGWUWSTUKTI-KBPBESRZSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1595506562 DUWIGEWKIDCZAO-CQSZACIVSA-N 428.493 0.966 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595569367 FYTQEEUFGQIDEL-ZWKOTPCHSA-N 445.568 0.250 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1596750715 CTOXHVQDROPZPY-PKOBYXMFSA-N 437.504 0.970 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OC)c(OC)c2OC)CC1 1630975928 VZFDNPBLJCSDML-UHFFFAOYSA-N 440.522 0.050 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCOCC1 1637129185 YPSSIAFWUFUVSA-SFHVURJKSA-N 449.529 0.902 30 10 ICEE C=CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)nn1 1639557791 ZCDQSTXKMXGGDV-MRXNPFEDSA-N 439.925 0.967 30 10 ICEE CC(=O)N[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(Br)c1 1648790713 RKBZUBZZEYBZDM-OAHLLOKOSA-N 446.261 0.844 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1666400767 YNANDWJQMDSEFV-UHFFFAOYSA-N 428.436 0.852 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOC)C1 1689930150 LLGWTQCZDKMNQR-IRXDYDNUSA-N 441.554 0.266 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1690723863 CEBKTBRYLZVSBT-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE CC(C)(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1691313333 HXYRGICSTCSZBD-LSDHHAIUSA-N 442.542 0.155 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696899539 PTGQYSWRONVHOV-SZMVWBNQSA-N 445.568 0.951 30 10 ICEE C#CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1705539017 HHXJIJYAVKUECB-IERDGZPVSA-N 442.524 0.876 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705566941 RYDKCRGMVLMMIE-ULQDDVLXSA-N 435.550 0.815 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705569912 LFPHAELTHMFCAI-GOSISDBHSA-N 444.561 0.807 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705639918 ZDJPGBYCJGJJTD-ROUUACIJSA-N 438.523 0.893 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705887168 QWVSKLHPCJJEDL-KBPBESRZSA-N 434.588 0.182 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCN(C)C2)C1 1705924129 BGGLNAVPCBALKF-GPMSIDNRSA-N 425.555 0.028 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(CCOC)C1 1722475895 IXVIRWBXWYZANJ-VGOFRKELSA-N 428.537 0.888 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1722523336 OAWBUVFVNNQIRE-MRXNPFEDSA-N 434.522 0.850 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1722697659 OFYHWCRNULQBAU-FQEVSTJZSA-N 429.481 0.270 30 10 ICEE CC(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723151124 WDGRGTGAQQRIFI-FBMGVBCBSA-N 436.538 0.941 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCN(CC)CC2)CC1 1740688630 HGSIWOAHKGQLTQ-UHFFFAOYSA-N 444.628 0.589 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740950972 OIGXKCDVQQHMGW-UHFFFAOYSA-N 444.540 0.646 30 10 ICEE CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1741304112 FGNDDGFMYNTQKQ-VQIMIIECSA-N 440.570 0.758 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1760206096 QWFJRALVBFHTHA-ZWKOTPCHSA-N 442.545 0.654 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1760451021 YEJAFSCJUYLVDS-INIZCTEOSA-N 425.555 0.865 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1770342768 DUEKCKWMPLVFMZ-MSOLQXFVSA-N 441.517 0.970 30 10 ICEE C=CCN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)[C@@H]1CCN(C)C1=O 1849009653 VEUNWLZTQGHJRY-CYBMUJFWSA-N 426.461 0.340 30 10 ICEE C[C@@](CCn1ccc(-c2ccc(-n3nccn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O 84603933 QSXIGYJNQBFDCD-LJQANCHMSA-N 431.474 0.795 30 10 ICEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774147931 YGJGRIXNMFTKPW-AZUAARDMSA-N 435.546 0.900 30 10 ICEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 811093324 ZNGUGJGPTBBKGB-APHBMKBZSA-N 449.489 0.425 30 10 ICEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1S(=O)(=O)NC(C)C 1134429132 PDUPWLWSGZSXDN-KBXCAEBGSA-N 441.531 0.392 30 10 ICEE C=CC[C@H]1CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1184414615 CWYNETVUWITMIA-HNNXBMFYSA-N 427.548 0.912 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286349437 JDFRBGRZNRSDMA-SJORKVTESA-N 435.550 0.421 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)C1 1286799743 ZMPXDIIUMUTTEC-INIZCTEOSA-N 425.493 0.838 30 10 ICEE CN(CCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1298641833 VRPWUCPERUKEEB-KIJUOZEOSA-N 448.549 0.943 30 10 ICEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CCOC1 1299800266 ARGGEXBZKZCVJX-IBGZPJMESA-N 434.522 0.608 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1300545564 RWYKEVLCXVYECY-UHFFFAOYSA-N 443.559 0.892 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1300732541 BRHZZJWOYKPYLE-OAHLLOKOSA-N 443.595 0.641 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301253171 WCZRPSFDETUVSD-GJZGRUSLSA-N 431.497 0.295 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1359300838 KZWMWGINNXBFBM-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359306173 YEJKJENFUUUZPF-LEWJYISDSA-N 434.541 0.583 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)CC1 1471450905 LMGGXAHUKVQNPO-KRWDZBQOSA-N 428.461 0.144 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C(=O)CC#N)CC3)CC2)cc1C 1473483418 JABCRTAIHYEROQ-UHFFFAOYSA-N 447.561 0.194 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1507678724 BVRIUZOGOFWRJV-MRXNPFEDSA-N 425.603 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)CC1 1507722146 QDQCVRRTKZLZEZ-HNNXBMFYSA-N 449.606 0.809 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1540904529 NLBFJAGUXLXMSR-INIZCTEOSA-N 425.555 0.687 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCC2)C1 1555812301 CTRCWFOVDZYPCP-QAPCUYQASA-N 441.533 0.149 30 10 ICEE COC(=O)C1(C#N)CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 1559840418 GZNZAMKQFLYFBT-OAQYLSRUSA-N 441.488 0.740 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1611110574 AVDWWADBGJFZMO-GOSISDBHSA-N 426.516 0.794 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1632095478 QJSZBZVIARIJGX-CVEARBPZSA-N 426.539 0.609 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 1632944128 PYWDBASRGKWAQB-OAHLLOKOSA-N 425.474 0.045 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1651805324 GUGCMZRFQOIDIJ-GOSISDBHSA-N 434.562 0.661 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)C2)c(=O)nc1O 1685928308 HKKLHDMAGMAGQC-LLVKDONJSA-N 430.371 0.471 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1690045011 DIMDTKDLZGQRAE-SFHVURJKSA-N 440.529 0.649 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cnn(CCOC)c2)CC1 1690144337 VMFFTRAIVWQTSS-UHFFFAOYSA-N 449.519 0.592 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690678442 WGIIBIAKUBJYDG-GNBUJSLZSA-N 448.568 0.461 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1692554627 ILWDBUFUUXTBTG-CZIZESTLSA-N 438.492 0.827 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)CC 1722466130 JMRDNYSDJYGLEJ-LJQANCHMSA-N 431.522 0.857 30 10 ICEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1730763155 CYWCJXBEOAYYKG-INIZCTEOSA-N 438.554 0.592 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1740550154 HUCOFISJCKTFNF-HOCLYGCPSA-N 426.506 0.662 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740757067 MXDBTZAVACERTO-PXNSSMCTSA-N 442.568 0.870 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 1741982966 CDZKTJWYCUASGJ-GJYPPUQNSA-N 438.554 0.920 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCC)c1 1748693120 YKICQSQFZHGTJT-KRWDZBQOSA-N 437.504 0.812 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748719203 WKXNGNBITKMVLL-CVEARBPZSA-N 448.549 0.456 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1750153630 QXBDICIXPASQRB-OBJOEFQTSA-N 432.403 0.409 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760201553 FFMYTFQTJNJPNS-ZWKOTPCHSA-N 425.537 0.245 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1760528984 SNGNHHWTIONFPV-QFIPXVFZSA-N 448.568 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760554133 SHBBOZUKWVZJLJ-QGZVFWFLSA-N 447.565 0.871 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1=O 1769056304 QZEVTBIUSDLLGC-OXJNMPFZSA-N 428.518 0.918 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(F)(F)CC2)C(=O)C1 1853953451 ZZIAUABLGRQRBK-UHFFFAOYSA-N 426.445 0.649 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCC(S(C)(=O)=O)CC3)C2=O)CC1=O 1857262378 KYIJYMIEGGWZFZ-NVXWUHKLSA-N 425.551 0.438 30 10 ICEE CC#CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286049109 RXLQYDRRBNTQAW-SFHVURJKSA-N 437.518 0.425 30 10 ICEE COc1ccccc1/C=N/Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1 105379465 XTBCFPAYSHXKCK-QGMBQPNBSA-N 427.450 0.684 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 436215609 DOGFBJXSTPZEEL-JQHMZKTJSA-N 431.537 0.599 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 544031167 RCODHICEDJVCOW-WMLDXEAASA-N 444.517 0.266 30 10 ICEE Cc1nc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n[nH]1 611431234 CJLJIUHSPNHTHI-KRWDZBQOSA-N 428.566 0.701 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 1167434238 SYGIFHAMWGAXDG-GOSISDBHSA-N 435.546 0.919 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286380835 DOZHHQXRKPNVHU-MRXNPFEDSA-N 431.518 0.669 30 10 ICEE CN1CCN(C(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1292105615 GBVJPOHMFPAITQ-UHFFFAOYSA-N 441.513 0.863 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1300495064 CIQXNALIWHXNCI-HOTGVXAUSA-N 426.564 0.607 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301036859 MUBQQLPEIQBVKV-RRQGHBQHSA-N 435.960 0.971 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1301296481 HUKVXXFTBNNPJL-INIZCTEOSA-N 440.570 0.636 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301491614 UQBHXBSNDHLOIY-IBGZPJMESA-N 441.584 0.586 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301509660 KFAXMBVZNLUGBL-MRXNPFEDSA-N 428.497 0.014 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1301618427 SCEZLWNADZTRKG-UHFFFAOYSA-N 435.598 0.530 30 10 ICEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302438560 GKJUHDDWWNIYDG-RAJOGRCSSA-N 448.549 0.770 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1359294593 YLEBYKVJAQAFCR-HNNXBMFYSA-N 430.490 0.380 30 10 ICEE Cc1ccc(CN2CCCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1473850372 LQHKZQLZNAXVBN-RBBKRZOGSA-N 430.574 0.900 30 10 ICEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539142472 QQHLRCKBSUPUDU-BRWVUGGUSA-N 428.537 0.757 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1539643691 AKQBXBQBXVVBFZ-OYSTVDSJSA-N 449.552 0.935 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1540871971 YWMAFPGJHABWQF-AWEZNQCLSA-N 433.538 0.385 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540901383 BLQKWCZZUOXUCT-QGZVFWFLSA-N 447.565 0.494 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1565963598 SVAHGQJQNMKLNH-LJQANCHMSA-N 448.564 0.686 30 10 ICEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)CC1 1588806582 VXFCDTQQMSTDAO-UHFFFAOYSA-N 427.534 0.731 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1595824170 XVNBFIVDHNDKRA-DLBZAZTESA-N 438.598 0.920 30 10 ICEE C#CCNC(=O)CCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618538717 HWRPIWUEVOMCTK-ZWKOTPCHSA-N 433.553 0.994 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1632960384 GEFUFSYLGGEMKV-JKSUJKDBSA-N 428.555 0.682 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)ccc1F 1644709235 GJNSBJJNSUTEKT-UHFFFAOYSA-N 434.453 0.304 30 10 ICEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1648155820 OXNSVSQYVKVEPQ-QFBILLFUSA-N 439.559 0.759 30 10 ICEE N#Cc1ncn(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)n1 1648205361 KABNYNWQQFBSIG-AWEZNQCLSA-N 436.213 0.454 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)CC1 1650849155 WDOYWCUUFNYTQE-HOTGVXAUSA-N 429.539 0.125 30 10 ICEE C=C(C)C[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1650974980 XGFSWFLNGLZHIT-MRXNPFEDSA-N 427.498 0.735 30 10 ICEE N#C[C@]12CN(CC(=O)Nc3cccc(C(=O)N4CCSCC4)c3)C[C@H]1CS(=O)(=O)C2 1655770639 LIILCZVCMFEXFU-OXJNMPFZSA-N 448.570 0.684 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 1685180694 UQZPESKSTGPZSZ-INIZCTEOSA-N 425.942 0.714 30 10 ICEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1689949178 STZQALGCRJGKNJ-MRXNPFEDSA-N 442.339 0.665 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1CC 1689965818 DPJNFCDDZUHNCR-SFHVURJKSA-N 449.581 0.587 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689985908 FENRBMCCJOZFNT-INIZCTEOSA-N 432.550 0.779 30 10 ICEE C=CCCOCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1690512459 YKMWLNZHJBQYPU-UHFFFAOYSA-N 446.556 0.635 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1690715286 HIZPGXJRQBIXJJ-ZIAGYGMSSA-N 449.599 0.350 30 10 ICEE COCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1698109276 ZQXVMBBGFCBBFC-KRWDZBQOSA-N 441.492 0.721 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1705552161 WCKCWAPXKBJXCZ-WIYYLYMNSA-N 445.545 0.514 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705567703 ZQGGTIRTLYFGQM-UONOGXRCSA-N 445.492 0.528 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1705628841 QQAHJQCKMAJMCY-VQIMIIECSA-N 443.570 0.104 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@H]2C)CC1 1705643671 OLCVPWTVDSMZPH-AABGKKOBSA-N 432.569 0.478 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705659012 IWRPXQHYYDLUND-AWEZNQCLSA-N 426.568 0.114 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1722396205 GQAGLGFMHNYSQJ-QYZOEREBSA-N 449.577 0.889 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722620130 JHNJASGBHUVDDA-UHFFFAOYSA-N 433.557 0.317 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1731006889 DCZQQLVZMVCLFN-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncc(CC)s2)CC1 1740690106 GTCBDCRSNTUDIP-CQSZACIVSA-N 437.595 0.711 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740694865 WGSKTMKOIQZOHB-OALUTQOASA-N 428.585 0.010 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1748823799 BPEINFSMYKGVMO-GOSISDBHSA-N 445.545 0.849 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOCC(F)F)CC1 1749000861 BXQGIVCMXVMPQU-UHFFFAOYSA-N 426.468 0.664 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760526165 GMFPVTRVCVTFNL-KRWDZBQOSA-N 441.540 0.482 30 10 ICEE CCc1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763017417 NUCIXGPBRMEALK-JJCXBQPYSA-N 434.522 0.382 30 10 ICEE CCOCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1766614066 OLUCLTJWCXWBNV-CZIZESTLSA-N 429.525 0.840 30 10 ICEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766931433 BCFJLNJCZLFZNK-SFHVURJKSA-N 430.557 0.269 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1771155415 SAEKDMRBEXSTFA-UHFFFAOYSA-N 449.519 0.973 30 10 ICEE C=CCN1C[C@@H](C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)CC1=O 1850960116 YGVSGDXOLJOQRN-AWEZNQCLSA-N 430.486 0.777 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1C 1855051646 GURQWIWAGXUTNT-INIZCTEOSA-N 434.518 0.741 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)CC1=O 1855740009 LLQRBRFZRYTGKB-IAGOWNOFSA-N 437.562 0.439 30 10 ICEE CC(C)S(=O)(=O)N1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856806223 YUVNXNVQZNKOAS-IBGZPJMESA-N 432.546 0.832 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCC)c(OC)c1 1865721750 ATIZHYSKJHOAEA-HNNXBMFYSA-N 442.472 0.488 30 10 ICEE Cc1c(S(=O)(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c(=O)n(C)c(=O)n1C 1892136419 IFDATSDVEKYBJG-OAHLLOKOSA-N 433.490 0.139 30 10 ICEE Cn1nc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)cc1B1OC(C)(C)C(C)(C)O1 2255609477 HNLBQAJUNGCGTK-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2320449846 NPALXMNAUIMNSQ-INIZCTEOSA-N 430.314 0.812 30 10 ICEE C#CCOC[C@H](O)CN(CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207187 JZQFUVPHSLLLHT-CQSZACIVSA-N 437.518 0.929 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCO1 409481562 BOTRLZIFHMLPCE-QGZVFWFLSA-N 428.536 0.171 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481493187 OWXJTWJLWZQFCH-CYBMUJFWSA-N 448.526 0.722 30 10 ICEE CN(C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 488120832 RFNWDYFHUOQPDB-SFHVURJKSA-N 449.536 0.988 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 501996767 YEBBORCKFKXPJY-MRXNPFEDSA-N 427.530 0.384 30 10 ICEE COc1cc(N2C[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)cc(OC)c1OC 503643865 OJSPOAGLDZLHIF-AWEZNQCLSA-N 430.461 0.650 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)CC1 512710701 YBNSEPQDPHZNGN-UHFFFAOYSA-N 432.521 0.659 30 10 ICEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586859562 BEIBQYQBLKDWTM-MRXNPFEDSA-N 429.496 0.859 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 731350612 AXKNCHRJNWEDPS-UHFFFAOYSA-N 446.573 0.614 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1[C@]1(C)NC(=O)NC1=O 732668831 AFPQPPQFWLCHNS-YJYMSZOUSA-N 433.490 0.111 30 10 ICEE C[C@H](CC(=O)Nc1ccc(=O)n(CCN(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 756065570 HCYVFDPRDPAYIF-CQSZACIVSA-N 431.518 0.866 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)n1 788609154 CBILPISLLJLTSD-UHFFFAOYSA-N 429.481 0.252 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 795972003 VJIQZRSFJKIJGS-UHFFFAOYSA-N 430.442 0.770 30 10 ICEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2nccs2)n1N 1084336485 HEQQTULQSNPAMJ-UHFFFAOYSA-N 436.527 0.431 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 1115948735 VFVLHYYVKWDKJX-NRFANRHFSA-N 440.481 0.583 30 10 ICEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cn2)cc1 1132576363 QQRRARRPBDAURS-KRWDZBQOSA-N 440.485 0.907 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 1136985923 AZQRAUWPLJKUTE-OAQYLSRUSA-N 428.514 0.590 30 10 ICEE C#CCN1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1147283749 QZJRIEAHGDSZQG-WMZOPIPTSA-N 425.938 0.631 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286387376 QHWDISNCEFIXOI-SHPPYHEDSA-N 433.534 0.830 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286462894 ZSIPAXGKTRZGKI-QHCPKHFHSA-N 449.515 0.756 30 10 ICEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1286479998 RANVCKCIWZDDDP-UHFFFAOYSA-N 435.532 0.564 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)CC1 1286486488 MVZUFTYGRLDOKT-GOEBONIOSA-N 438.554 0.033 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286774840 KYAYUPBADCLXIM-HUUCEWRRSA-N 429.568 0.371 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 1286824073 TVOAWJSCRQXJHZ-ZDUSSCGKSA-N 431.588 0.269 30 10 ICEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300944388 WSZSUSXNLKAUOV-INIZCTEOSA-N 433.538 0.942 30 10 ICEE C#CCCN1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1307653808 LDBKJOBOBPBSNN-UHFFFAOYSA-N 448.589 0.912 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1359292624 UCOYERYDHIEUNI-CQSZACIVSA-N 445.911 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1359329466 JPMIGYWAPZLBFI-UHFFFAOYSA-N 440.547 0.789 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]([C@H]2CCCO2)C1 1458022360 IXHHEUKZQMFXAT-KBAYOESNSA-N 435.502 0.796 30 10 ICEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1F 1463165646 XKQHXMROCQFTJY-SCLBCKFNSA-N 443.522 0.913 30 10 ICEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1464320653 QKHQAKUWXOMMKX-AWEZNQCLSA-N 447.485 0.311 30 10 ICEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc(C#N)n1 1469920525 IWKKFGBPXDCSEN-GWCFXTLKSA-N 430.387 0.530 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1502475010 QJTXXEXFCRKXAU-MRXNPFEDSA-N 430.494 0.710 30 10 ICEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1504822229 NTHIUAXRVJCKEX-UHFFFAOYSA-N 437.504 0.780 30 10 ICEE C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1505283556 BLCBTYUCJSMJTJ-ZDUSSCGKSA-N 428.478 0.718 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507637744 MTGXEDQMMFNZGG-JKSUJKDBSA-N 444.579 0.409 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1539211934 QECFTKLXLBAVDE-JXFKEZNVSA-N 430.534 0.033 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1OC 1588083815 KDAALTGFHDUANC-CQSZACIVSA-N 433.538 0.314 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C1CC1 1588140413 WYVAKXABMYEYOS-GOSISDBHSA-N 434.566 0.168 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595766639 VHAYFMICYTVXMX-INIZCTEOSA-N 446.533 0.768 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1609509118 MRYMAJRZRZIPCY-HFUDNHEJSA-N 445.524 0.946 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC(O)C3)CC2)c1C#N 1616430765 MSLLHAPFEAIIHB-UHFFFAOYSA-N 432.525 0.915 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1620450924 JTVZFPJGGXCFFB-UHFFFAOYSA-N 427.473 0.258 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1623669533 RVNHSZUVIWSKFD-ICSRJNTNSA-N 437.475 0.945 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1636665079 WUUYMWLCXFOGGG-GOSISDBHSA-N 435.546 0.593 30 10 ICEE CNC(=O)CN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1652307069 UEMBAVOHQHQOKR-KRWDZBQOSA-N 426.477 0.044 30 10 ICEE Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)s1 1679215721 JMBAFNKQQWUZEE-XJKSGUPXSA-N 446.576 0.223 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988023 HODHLKRQBZMRMB-BBWFWOEESA-N 436.582 0.586 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)O)CC1 1690115286 ZUYCNKRZEDQBRZ-UHFFFAOYSA-N 446.577 0.722 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690677466 XLQIKNZLEWACJA-OAHLLOKOSA-N 425.497 0.494 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1705806020 UWTZYJCPUPVSBH-HZPDHXFCSA-N 440.570 0.669 30 10 ICEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749231539 UTHALGDRHKVOGR-UHFFFAOYSA-N 448.568 0.577 30 10 ICEE CCOCc1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1767858755 QWHOLDWURYGLID-HNENSFHCSA-N 443.508 0.448 30 10 ICEE C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)[C@@H]1CCN(C)C1=O 1849240501 XJGQRHGIENLDEW-GOSISDBHSA-N 449.511 0.946 30 10 ICEE N#Cc1cc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)c4ccc(F)cc4)C3)C2=O)ccn1 1856469774 CFLOLDUCVCHZCE-SFHVURJKSA-N 428.445 0.992 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cc(F)cc(Cl)c3)C(=O)C2)C1 1856919443 OEUYGMSAWNPPGU-HNNXBMFYSA-N 428.873 0.691 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)[C@@H](C)C2=O)CC1=O 1857078927 VBGCQJSPQKVZFT-HOCLYGCPSA-N 437.493 0.749 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(Br)c1 1865722221 MRMWIHGKJRWCNR-LBPRGKRZSA-N 447.289 0.843 30 10 ICEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2255826503 QANREHANNBATDW-WDEREUQCSA-N 428.220 0.707 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)n1C 2315521142 AIHFHRZCBZJXIP-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 476164922 UBFHFCGIDZHQCH-MRXNPFEDSA-N 425.510 0.903 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 555243786 JWPVUWPBPDSDKV-WBVHZDCISA-N 435.554 0.915 30 10 ICEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 558858473 BOVDUYPNNQPUJW-UHFFFAOYSA-N 439.520 0.729 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)CN1CCOCC1 565795441 NJWXGLNQTUDVGD-CQSZACIVSA-N 442.310 0.908 30 10 ICEE CCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)n1 609940032 HAQKNDRTEUPQKY-UHFFFAOYSA-N 430.490 0.326 30 10 ICEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCN1C1CC1 732652097 NCSMQQQIELXBAB-IRXDYDNUSA-N 444.513 0.822 30 10 ICEE N#C[C@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)CCN1C1CC1 732678970 PTDMCJNOIRPFJD-OALUTQOASA-N 433.516 0.706 30 10 ICEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1C1CC1 732914168 MJMVRIXIBRJAQQ-IEBWSBKVSA-N 440.552 0.664 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)c1 856700588 UUZFHOGSBLQLQD-FQEVSTJZSA-N 432.502 0.753 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 916179776 XYTRPHBCCPGQNJ-UHFFFAOYSA-N 449.510 0.839 30 10 ICEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)s1 1152565463 MEIYBSMZDHDMSM-MRXNPFEDSA-N 432.527 0.818 30 10 ICEE COC(=O)[C@]1(OC)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1279832927 OGBMYFFMQYQPTQ-FQEVSTJZSA-N 435.502 0.749 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1286411078 YOLVTGAUFNBHON-MJGOQNOKSA-N 446.577 0.168 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286471789 QVQJJJZHVRJUBK-UHFFFAOYSA-N 436.582 0.483 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286504288 PNDRWMBWPGXRTQ-HNNXBMFYSA-N 437.595 0.811 30 10 ICEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1286618651 DVQJDTRYHGWWSD-UHFFFAOYSA-N 430.904 0.933 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1286791259 WWJXFNDPTDDGIU-UHFFFAOYSA-N 442.568 0.743 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1298101408 ADCCVHQDNOGHFT-AWEZNQCLSA-N 434.478 0.294 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301045755 WVZYLQFOBZTUOY-OLZOCXBDSA-N 442.929 0.405 30 10 ICEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1309994799 HFWUDWBOQMHELO-QGZVFWFLSA-N 449.577 0.729 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1358984793 HJTSKTUKUNHWOJ-KRWDZBQOSA-N 434.566 0.754 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCOCC2)CC1 1359028003 CVVLNBOUMYRPRO-SFHVURJKSA-N 438.536 0.401 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359035761 DCATYRRHKRHBBR-SFHVURJKSA-N 444.561 0.516 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1507634113 WTTGMTUMJBQZBC-RTBURBONSA-N 430.530 0.949 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1507660139 MXNDFJVACWKAIJ-OAHLLOKOSA-N 434.497 0.964 30 10 ICEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1538431257 GFMBSFXRTNTXOK-OAHLLOKOSA-N 439.559 0.995 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N(C)C)CC1 1539476506 ZCKOWXSXRVNJCZ-UHFFFAOYSA-N 445.549 0.197 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)CC1 1539891148 ZIPGJXOLVGWXCW-JKSUJKDBSA-N 431.534 0.998 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1541096325 UWTKWWUCGNBOQE-HNNXBMFYSA-N 425.493 0.922 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1557879260 DEJYWPMQLNTOBR-BPLDGKMQSA-N 427.548 0.832 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C 1588672967 JGLQTEYMJVLKEH-QRWLVFNGSA-N 433.534 0.896 30 10 ICEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC=C)CC1 1588811312 GBNCRWFRTYPBDC-UHFFFAOYSA-N 449.563 0.510 30 10 ICEE N#Cc1cn(CC(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(=O)nc1O 1626732637 IDPMOYZVUOEAEX-UHFFFAOYSA-N 433.424 0.666 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 1630438161 GSUIHAISWOQGDO-HXUWFJFHSA-N 433.578 0.693 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)n1 1684836509 MDXMVQSCXDZVKR-HXUWFJFHSA-N 432.569 0.471 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689929997 IYCMSZWTQXCXHY-CVEARBPZSA-N 448.549 0.360 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCOCC1 1689960121 ZMKSWQHGTZSMGU-UHFFFAOYSA-N 445.549 0.557 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689979532 CSJLGQFBRSQGBT-CABCVRRESA-N 443.595 0.705 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1690236046 HUQFRGYEIXOTSN-MAUKXSAKSA-N 434.541 0.868 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1690485051 KIBQVZQYKGMMQZ-HUUCEWRRSA-N 426.543 0.279 30 10 ICEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705517341 UANXCSUUIDPCBJ-SFHVURJKSA-N 444.536 0.093 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1705534961 XCAZPVDZKKGNFG-QGZVFWFLSA-N 425.555 0.887 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1705885250 MGRGZALBJSHKPX-AWEZNQCLSA-N 442.567 0.755 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCCOC)C1 1705890868 NMMURTMGZRNVPR-HOTGVXAUSA-N 429.543 0.286 30 10 ICEE C#CCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722341566 ZTVZYGAMKFCAFC-LJQANCHMSA-N 425.555 0.814 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1722588353 QWLBQMXEMRVGRD-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740554467 ZOLJNFOFVNIMBG-DOTOQJQBSA-N 448.549 0.299 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740626203 KHYBRMGRVMQPAJ-HOTGVXAUSA-N 437.566 0.571 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)CC1 1748990492 XSUVCRCQWDRBKR-OXQOHEQNSA-N 433.534 0.436 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H]2COCCO2)CC1 1749010587 SWZRJAASPZCLKR-MOPGFXCFSA-N 431.537 0.943 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749039514 VXRBGIIROVNJIG-KGLIPLIRSA-N 432.593 0.170 30 10 ICEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749220337 FVERYLSJENNIOZ-INIZCTEOSA-N 440.504 0.693 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1749230559 ZGMKXJDRNSTUKN-INIZCTEOSA-N 441.554 0.068 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749650195 NBVMVZXSWCDUOM-KBPBESRZSA-N 449.537 0.485 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760181815 BUEBLHXVHWRTGF-ZBFHGGJFSA-N 425.555 0.858 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760555416 FOMGIAWLKYABJG-OAHLLOKOSA-N 445.611 0.912 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1762301725 HAAHRBPGBKXMKS-HNNXBMFYSA-N 438.554 0.750 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603675 HEIGCFAZMLWYMG-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2267468521 KQLPJHFUTSPDAY-LBPRGKRZSA-N 430.357 0.967 30 10 ICEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 429461203 HTRWMULHKONDJX-OIISXLGYSA-N 431.518 0.583 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1=O 440252492 GEYAYQZQRZIDOX-FUHWJXTLSA-N 449.529 0.823 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 460808905 KIRNEHMDMJWRPM-LSDHHAIUSA-N 449.599 0.447 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 475391483 QYXOSPRTBLYGCY-UHFFFAOYSA-N 425.511 0.518 30 10 ICEE CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(CC(N)=O)c3=O)ccc2O1 517154699 ZGCKKZYCOHAGFB-UHFFFAOYSA-N 437.521 0.981 30 10 ICEE COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OCC(N)=O 545463152 RDXYJKLRLSCXGF-UHFFFAOYSA-N 425.445 0.797 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 732152905 HCIIGIZPZVNBFC-MPRRQWPQSA-N 426.429 0.453 30 10 ICEE C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808655176 COPHNMFSPQIYTE-OAHLLOKOSA-N 437.518 0.316 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCCN3CCOCC3)C2)C1 1143974792 ZDBCPTZZYXZELY-PSCUFVCCSA-N 449.552 0.338 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 1152974278 RCQWSTIHHJJGHN-NRFANRHFSA-N 432.546 0.541 30 10 ICEE C=CC1(CC(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1155691493 ZAKLWSFADSFUKI-OAHLLOKOSA-N 439.509 0.706 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286390119 XJBHCZGQVUUXQN-LSDHHAIUSA-N 448.549 0.583 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1286582220 UJEMKYQZAKJWEA-MRXNPFEDSA-N 443.570 0.555 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286600078 JDQLICRKDFZDLU-KDOFPFPSSA-N 426.543 0.340 30 10 ICEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286674523 GFWZBTQVRGGRPZ-OAHLLOKOSA-N 429.525 0.150 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1286780639 PPTJLZUYGHWTIJ-KGLIPLIRSA-N 430.600 0.768 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286785655 IDKBOBXSIJGTGG-DOTOQJQBSA-N 432.525 0.553 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286820293 IWMBZXXCLOHVDL-FGTMMUONSA-N 441.598 0.928 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301040084 BVWCISKSIIKIJS-OLZOCXBDSA-N 437.975 0.451 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301585212 INUIYEICRGDHLL-UHFFFAOYSA-N 431.584 0.617 30 10 ICEE N#C[C@]12CN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)C[C@H]1CS(=O)(=O)C2 1304272290 QMJUOBXHTGPKHF-CNNODRBYSA-N 438.509 0.819 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358965944 DYPMNINKLPTYEC-GOSISDBHSA-N 448.593 0.512 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1359301492 ZXRQHAVMNMXEEB-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC)c2ccccc2Br)CC1 1471451477 UAPDQGRFKHWKPA-HNNXBMFYSA-N 430.324 0.748 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1507791289 KGVRGXXZHMFMGR-PKOBYXMFSA-N 446.552 0.790 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539454059 VNPLMJVZNWXLKJ-UHFFFAOYSA-N 428.562 0.986 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539744376 KAMQUSYJTGYAGG-DLBZAZTESA-N 432.525 0.650 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540864610 GAVCJFCQTWDXOY-UHFFFAOYSA-N 448.549 0.728 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876088 HCGWZWYHSYRVTP-AVRDEDQJSA-N 448.568 0.926 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1584999883 CWTJCEHMAZRFBG-HTAPYJJXSA-N 436.553 0.685 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588223991 MBDLDWAXGAOHJQ-HZPDHXFCSA-N 438.454 0.955 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCN(C)C2)CC1 1588955516 ZMTVGXNOJBGLES-QHCPKHFHSA-N 437.548 0.296 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593741707 VUSZNCPKVKNALP-KRWDZBQOSA-N 433.557 0.469 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1620176040 IDMAQGVVWMWGTF-LJQANCHMSA-N 446.512 0.898 30 10 ICEE C=CCn1cc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)nn1 1664570990 PVUCSCOLUIAEQE-ZWKOTPCHSA-N 435.506 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)CS(=O)(=O)c2ccccc2)CC1 1670808009 LPNNHRAINLADIT-INIZCTEOSA-N 442.563 0.034 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1689831956 USENDGYHULNRSV-BEFAXECRSA-N 426.539 0.328 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1690101417 ZQOQWDLHWOQWCH-JOCHJYFZSA-N 437.504 0.747 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690229327 SYQFBXBMZMNDEZ-CHWSQXEVSA-N 439.314 0.228 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC 1705489617 SDTYSMDIESWRMV-ZDUSSCGKSA-N 439.567 0.245 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1705576823 QWBZPGNLSRHGLB-UHFFFAOYSA-N 432.488 0.924 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1722738404 ITGLAQPVZOXGNS-CABCVRRESA-N 431.584 0.755 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740628452 QKNMULCYADSROW-BBWFWOEESA-N 426.539 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1740991175 QBCIPJLXSRRGPV-GJZGRUSLSA-N 434.526 0.263 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748801946 KKCXQBABQIBHJO-MRXNPFEDSA-N 433.538 0.248 30 10 ICEE 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 1748824857 KVLQHUXDZKWAAV-XLAORIBOSA-N 434.500 0.296 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1748824980 MXMDJSZQJGHVDU-UHFFFAOYSA-N 426.502 0.823 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1749157944 AZVCMQRKEVXTGL-KRWDZBQOSA-N 437.570 0.990 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(OC)CCOC2)CC1 1760252849 XFEIGAOTDGGLOG-OAQYLSRUSA-N 425.493 0.486 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CC1 1760620008 FCWVOPGNEJDRKE-UHFFFAOYSA-N 436.520 0.307 30 10 ICEE C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791674 WZLVUGJJZBFYRY-LBPRGKRZSA-N 445.453 0.810 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1C 1889537636 NMDNKMGGMUXQCA-UHFFFAOYSA-N 437.610 0.928 30 10 ICEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676081 FLIBAPXOEJICMX-NXEZZACHSA-N 428.320 0.472 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)n1 2255654240 ULVUEFPBFGOBHJ-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE Cc1nc(S(=O)(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255800297 RJSLVOADVYTGMI-UHFFFAOYSA-N 448.354 0.622 30 10 ICEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3nc(=N)[nH][nH]3)C(=O)[C@]12C 2297596181 VGUAKSIQOXPFLO-OAQYLSRUSA-N 439.428 0.889 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 18039225 BSBGIHVKVGBULZ-UHFFFAOYSA-N 429.483 0.774 30 10 ICEE CC(C)N(CC1CCN(C(=O)[C@H](O)CO)CC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208091787 OSQSSEJOHFLVKA-GOSISDBHSA-N 448.373 0.582 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)n1 479377235 BKWFXDIHHPOBEX-MRXNPFEDSA-N 440.525 0.618 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 499271599 JJZABHIEURFRIN-NRFANRHFSA-N 435.528 0.869 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCOC)C1 508827588 MQVLFCUDCGPDOT-CVEARBPZSA-N 429.543 0.429 30 10 ICEE COc1cc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1C#N 517445829 SRUGDWBRHDPRNN-UHFFFAOYSA-N 430.486 0.863 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 542432916 OCMRXPRSPCDWSC-KSSFIOAISA-N 427.486 0.932 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccn(CCC#N)n1 570821879 AQBCARLLQREKAY-UHFFFAOYSA-N 446.533 1.384 30 10 ICEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cn2)CC1 619684395 PTFRRSYAWYXMOF-UHFFFAOYSA-N 448.549 0.548 30 10 ICEE COc1cccc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 732465482 GKQVNFOAGUZLMI-VHEBQXMUSA-N 427.461 0.689 30 10 ICEE C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1 806506616 BRZIENMALLUMPN-UHFFFAOYSA-N 447.538 0.922 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 1136632843 OVRMGAHSGHUDMN-UHFFFAOYSA-N 430.505 0.087 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152043250 WBTJBOOLAFROCW-FUHWJXTLSA-N 444.575 0.651 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286383576 XZRPCBKFKBODSS-KRWDZBQOSA-N 430.534 0.681 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1286409231 IZZGXOJRDRSSJA-QGZVFWFLSA-N 441.561 0.814 30 10 ICEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)CCC2 1290288152 XUZPWQVPUBJMEL-HRCADAONSA-N 448.553 0.700 30 10 ICEE CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1295219017 QKQYVSRZVINQIM-DOXHGZAWSA-N 434.522 0.695 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1300537916 LMYINEBGLUSZTA-ACBHZAAOSA-N 449.577 0.889 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1300885780 SKRNBWCIROMMNO-QOKNQOGYSA-N 432.525 0.681 30 10 ICEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1309862312 CFPWYKOUXPFUGG-QGZVFWFLSA-N 446.547 0.884 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1358930304 SCYVRMBUHUDGFR-BSDSXHPESA-N 437.566 0.743 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965963 FLBDAWTUQOCRLV-LJQANCHMSA-N 445.593 0.862 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCOCC1 1358999081 CJOLPOWTBYSEPP-ICSRJNTNSA-N 429.521 0.714 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1359038747 IVNVDJKMJIMAQL-UHFFFAOYSA-N 442.545 0.919 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CC)CC1 1359040005 DYOZRLKCXRERDO-GOSISDBHSA-N 429.569 0.866 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359296209 APZGWICDSNHMPJ-QGZVFWFLSA-N 443.533 0.637 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359326511 BUMUTKXWGGWNSU-OAHLLOKOSA-N 439.538 0.504 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359326941 NPYPONQAEGJXSC-CVEARBPZSA-N 425.555 0.976 30 10 ICEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370421 HNZPUXLZYKUEQO-SMDDNHRTSA-N 433.465 0.964 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 1472410783 GHZNFARDRZIERL-INIZCTEOSA-N 437.518 0.652 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 1476177277 RTEUWAAPNWCKTA-UHFFFAOYSA-N 433.534 0.815 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1 1478953372 HOETZDIUMKDLRP-INIZCTEOSA-N 439.969 0.961 30 10 ICEE CN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1503421241 ANYVRQLNRLUBCL-MRXNPFEDSA-N 447.521 0.602 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508083742 BQWQENRFOGDJEX-UHFFFAOYSA-N 438.492 0.087 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1517620550 IWWGGJGLMKTSRL-DLBZAZTESA-N 446.533 0.857 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540020295 SOUSZMKUYVRRCI-QGZVFWFLSA-N 434.541 0.837 30 10 ICEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1540477254 BZLNKQDMOMKXMO-UHFFFAOYSA-N 430.504 0.877 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540861814 HPZCZOQIONZXFN-UHFFFAOYSA-N 448.597 0.722 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540873603 DELGNZGLEVWTEL-UHFFFAOYSA-N 439.564 0.576 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1545920846 AZEUZOFDTOCZCU-VGOFRKELSA-N 442.568 0.851 30 10 ICEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3nc4n(c3C#N)CCOC4)CC2)c1 1586253660 BJOCQKLRIDRLNA-UHFFFAOYSA-N 444.517 0.684 30 10 ICEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1617278978 INGYHFPBLPTRTK-VDMFXUGISA-N 436.538 0.941 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1632721955 QEFWYVICVYMJGG-SJCJKPOMSA-N 430.479 0.589 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)C2)c(=O)nc1O 1637513784 OXXYPWARLRZEAA-CQSZACIVSA-N 425.420 0.895 30 10 ICEE C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCN(C(=O)CC#N)CC1 1645713382 JVJPJOFWRWWWIS-ZDUSSCGKSA-N 441.941 0.975 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1690019367 GVCVWRIQZOWIGN-IBGZPJMESA-N 439.541 0.912 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC2(C)C)CC1 1690136418 DXRUIHULRPWKOC-HOCLYGCPSA-N 436.582 0.900 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1690527571 PZLGOBOHBIAECM-DLBZAZTESA-N 426.587 0.965 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705565290 GJOGNWPNHQUINE-LSDHHAIUSA-N 448.574 0.945 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1705566269 MRRXVRXYCATIBB-ZWKOTPCHSA-N 443.529 0.397 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1705662366 XHCBMWMEWCMLGR-CABCVRRESA-N 429.568 0.203 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1705674781 QWOLDHIGVUPMIR-QFBILLFUSA-N 440.591 0.997 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1707951882 GEJGKKPBELHLAW-JLTOFOAXSA-N 444.517 0.033 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722369676 DMTSETIQBLCWQK-RHFKOARHSA-N 426.564 0.667 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722380123 DWFWCZMBNITKRR-SFHVURJKSA-N 445.527 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1740704129 KWTQGFDXEBRPMN-UHFFFAOYSA-N 444.561 0.802 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCO[C@H]2CCOC2)CC1 1740705456 HIAKVXHLWBGUKC-OALUTQOASA-N 431.537 0.943 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)CC)CC1 1740840422 YLPRJSHYEUCALL-WVDZOPJMSA-N 445.611 0.782 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1748863607 AWTCXKMGZOAUCU-OAHLLOKOSA-N 441.579 0.176 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749664554 RLKVSRJZQQRVOL-ZDUSSCGKSA-N 443.895 0.048 30 10 ICEE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977265 LVCFDQOHVSSKAI-ZDUSSCGKSA-N 444.469 0.992 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)O[C@@H]3CCS(=O)(=O)C3)CC2)CC1 1890073908 DXZYOKHHGFVDJE-LJQANCHMSA-N 427.567 0.432 30 10 ICEE Cn1nnc(Br)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914901260 LRRSORFHOJIFCI-CYBMUJFWSA-N 425.312 0.976 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)n1 2255606699 UCTDATABKKAFLN-UHFFFAOYSA-N 437.306 0.138 30 10 ICEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccccn2)n1N 59914411 ZDHGDWFTEGSKFG-AWQFTUOYSA-N 430.498 0.369 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508886490 BCHDQZHLQSQIQN-CVEARBPZSA-N 440.570 0.538 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 509012664 QWUXQFIXMQASBS-BXWFABGCSA-N 441.554 0.571 30 10 ICEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 533215613 AAEQRZPJFITMHZ-CQSZACIVSA-N 445.545 0.438 30 10 ICEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 610596434 BYKPPVPLACEWCF-SPLOXXLWSA-N 441.492 0.976 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H]1CCS(=O)(=O)C1 729332473 YQMGITDXAGWBFN-CQSZACIVSA-N 444.506 0.109 30 10 ICEE N#C[C@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCN1C1CC1 732663618 ASKWGSNDCBLJES-INIZCTEOSA-N 434.518 0.715 30 10 ICEE CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 776438349 AZBXBKRHCDHEPU-CQSZACIVSA-N 425.507 0.978 30 10 ICEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 781654649 VFQZCDOCIDPNNY-UHFFFAOYSA-N 444.582 0.961 30 10 ICEE C#CCCS(=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 810785907 TYNSYQQHECXELP-JPDRSCFKSA-N 438.505 0.935 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 1215232873 XRQWEQFRELKWRN-QGZVFWFLSA-N 435.550 0.697 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1286509562 TWRNMKSSBVHECS-HNNXBMFYSA-N 425.580 0.652 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1300509523 OBZVPGYYVDMFMJ-OAHLLOKOSA-N 429.502 0.781 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1358955815 UNHIURKNXADUDY-CQSZACIVSA-N 425.580 0.939 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1359025297 JMYULUDGESWOSK-QGZVFWFLSA-N 441.554 0.124 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359327181 UUMUNTXGCYKLRR-XYPWUTKMSA-N 425.555 0.614 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359330602 XGJZOLXZYOUWSD-KRWDZBQOSA-N 433.534 0.806 30 10 ICEE C#CC1(F)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1455275160 NYBZCEWJEKRJGM-UHFFFAOYSA-N 425.457 0.623 30 10 ICEE Cn1c(=O)[nH]c(N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)c(C#N)c1=O 1458701175 NGUOKDULQPVQSS-LJQANCHMSA-N 448.321 0.737 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1507689456 KJRZMSFLBOECKB-SFHVURJKSA-N 449.581 0.974 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC 1507690345 RFENXVACLRJONU-OAHLLOKOSA-N 431.584 0.311 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1507723436 IPIUFGPXMFZCQT-UHFFFAOYSA-N 449.515 0.918 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1508081267 WFJROPJOKGYTJE-HXUWFJFHSA-N 448.531 0.924 30 10 ICEE C#CC[C@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1530736744 XPLBULCXNADVDA-MRXNPFEDSA-N 448.545 0.681 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn(C2COC2)nn1 1539299916 PRWRBRXYOSWUNY-OAQYLSRUSA-N 425.493 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC2CC2)CC1 1539482916 YFRXRLBYBQFUAP-SFHVURJKSA-N 428.537 0.664 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539517157 JIOWGWARBGDVHV-IAGOWNOFSA-N 432.594 0.938 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1541803225 DYAQASZKDWAGSR-QLFBSQMISA-N 429.568 0.886 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 1543572395 FQUNATUXNAOZIR-ROUUACIJSA-N 439.472 0.659 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1587892218 BLTUXURTAJCMEW-MWDDYTRKSA-N 431.445 0.660 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1588388245 ZJFXAYITNUHBPS-LSDHHAIUSA-N 429.568 0.064 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595785375 YOGZUJMWDVYWOR-OAHLLOKOSA-N 439.563 0.954 30 10 ICEE CCCC/N=C1/NC2=CC(=NCCC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)NCC2)N1 1615703735 BFRIRHGGZWFPMV-RDTXWAMCSA-N 433.557 0.173 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1=O 1618487880 GUACIBKAYDUAMH-SFHVURJKSA-N 426.477 0.813 30 10 ICEE N#Cc1ccc(OCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1Br 1625750968 HQNXSALPTRNASS-LLVKDONJSA-N 431.312 0.731 30 10 ICEE COC(=O)c1cc(Br)c2c(c1)CN(c1[nH]c(=O)n(C)c(=O)c1C#N)CCO2 1640539688 KARYOFYMWNGLLO-UHFFFAOYSA-N 435.234 0.893 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CC1 1683133947 YTAJHYCYNWOSSK-UHFFFAOYSA-N 443.529 0.191 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1690102258 GWISSHSBFNSPFB-SFHVURJKSA-N 430.553 0.960 30 10 ICEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705826282 TZRRHLXWJWWGOC-SFHVURJKSA-N 435.488 0.556 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1712454384 DPLYVZFQDRSQRS-OAHLLOKOSA-N 438.554 0.953 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2=CCCOC2)C1 1712706266 JDPHCVZUPQZOGK-MAUKXSAKSA-N 440.501 0.400 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722368556 RXSKVDQSTANBDT-GJZGRUSLSA-N 447.521 0.180 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729374491 UXHJFPROFJLTMY-ZZEZOPTASA-N 443.508 0.367 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1740626882 NSXWDAOACOJRIN-JKSUJKDBSA-N 426.564 0.773 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1740691749 CEPVDGULMREEDM-UHFFFAOYSA-N 433.516 0.854 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1744090873 KRIWVDNIQKFZGD-NVXWUHKLSA-N 428.541 0.652 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749020110 LRDRNEIWBQOFCQ-UHFFFAOYSA-N 445.549 0.401 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749655103 CTATZQZUBLNWOP-QGZVFWFLSA-N 444.492 0.216 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760269775 OMJXQNLORSFMGD-AEFFLSMTSA-N 449.577 0.573 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1770728629 RUACWNGQNUTYIA-IRXDYDNUSA-N 440.888 0.985 30 10 ICEE CS(=O)(=O)CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)C1CC1 1771355387 JFZGVQDNRIPHAU-UHFFFAOYSA-N 432.506 0.927 30 10 ICEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1 1852144255 NQXZEXMALHCVHL-IBGZPJMESA-N 449.529 0.605 30 10 ICEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCO)cc1=O 1870561545 RMJULVOAQKDNAA-UHFFFAOYSA-N 433.530 0.565 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255601052 DJOXNOUWWQSGQJ-ODXCJYRJSA-N 433.318 0.854 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2311709720 ACDMJVXKPLTAOK-GTDBDLECSA-N 438.330 0.878 30 10 ICEE OC[C@@H]1O[C@H](n2c(NN=Cc3c[nH]c4ccccc34)nc3c(O)ncnc32)[C@@H](O)[C@H]1O 254606845 PQLLPXFBPVTMJG-OWCBBSPXSA-N 425.405 0.071 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 512738039 JYCMTQAGNLQNQI-UHFFFAOYSA-N 429.546 0.187 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513788259 NTLXNROTBDFUCA-UHFFFAOYSA-N 438.531 0.943 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 582862396 RWCHHADJDKZJJD-UHFFFAOYSA-N 448.467 0.430 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1-n1nnnc1C1CC1 754189095 CLTNIZIZJULCTN-INIZCTEOSA-N 436.476 0.686 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CCN1C1CC1 754194138 SRGLHNRESIKXTO-IBGZPJMESA-N 425.489 0.733 30 10 ICEE C#CCN(C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 806738003 XTAHAQAIUFPWQK-CQSZACIVSA-N 444.531 0.770 30 10 ICEE C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808654361 NPYKNIMJKDVHDN-UHFFFAOYSA-N 425.507 0.480 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 1175515052 PSDZAHTYRNHYCG-XLIONFOSSA-N 446.573 0.598 30 10 ICEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 1234608951 SDQOTOWAUOMROU-BPZDKFOGSA-N 429.477 0.570 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286394162 VBLLUXDTJVQMMX-CSODHUTKSA-N 449.577 0.578 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286410058 WALRBRBNNIZJLC-QHCPKHFHSA-N 431.500 0.331 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C 1286582265 VDWQRIUDHPQPAB-HNNXBMFYSA-N 433.600 0.910 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286611637 MNXSHRMYVAHCPQ-JKSUJKDBSA-N 430.513 0.907 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286787577 HGDGZIYVAGOIKC-MRXNPFEDSA-N 439.524 0.324 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(NS(C)(=O)=O)nc2)c1 1357767323 PBEBXBVMTOWXSJ-UHFFFAOYSA-N 442.497 0.940 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)CC1 1359179245 PIHGKWRUTNEUSC-OAHLLOKOSA-N 431.584 0.522 30 10 ICEE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1473850446 OCKJMBZJWHGNCZ-HFSMHLIXSA-N 434.562 0.048 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507562887 AZAYVVIWPVTVSL-IXDOHACOSA-N 441.554 0.265 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507630895 JLVLEHIFRLBZDI-FUHWJXTLSA-N 431.566 0.647 30 10 ICEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1507633409 DJHNMZWQENBHLM-KRWDZBQOSA-N 428.518 0.790 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1507653361 NEFQQYCCPGSFBY-RTBURBONSA-N 448.593 0.416 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507658490 CAIDCRRLIORCLV-BZSNNMDCSA-N 435.550 0.356 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507956958 APLKBBTXHMGXDE-RRFJBIMHSA-N 426.543 0.196 30 10 ICEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507965222 QEAQNWVAEWLHER-QGZVFWFLSA-N 442.495 0.748 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539145249 HLLNGJSELJUFEZ-KRWDZBQOSA-N 438.536 0.938 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1539324506 VFEXWRCJGOBMDR-QGZVFWFLSA-N 446.533 0.743 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539417431 HHZFUMHVVPOLLA-NRFANRHFSA-N 432.546 0.813 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1539517966 UPHMCVMBPAWOHG-HNNXBMFYSA-N 425.580 0.638 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1540864652 HGSIGDQJQXMIKE-INIZCTEOSA-N 448.549 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1540897401 IGQSQKRJJWHRTO-HNNXBMFYSA-N 426.543 0.122 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1542895005 WQKRLVXRESUSGG-JOCHJYFZSA-N 447.536 0.426 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1595759425 FGRHVPJULXNABD-MJBXVCDLSA-N 435.572 0.103 30 10 ICEE N#C[C@]12CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1598568210 RLANGJQBRNWCDI-MEDUHNTESA-N 433.458 0.030 30 10 ICEE CCOC1CC(O)(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1616581079 KIIAVHRYFHJXDS-BWGXQHLSSA-N 435.525 0.977 30 10 ICEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1630587627 WVDMKYQUGXJFLD-GOSISDBHSA-N 440.543 0.363 30 10 ICEE CN1CCN(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1632820684 ZUWYQLZXXLIUMD-UHFFFAOYSA-N 437.497 0.248 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1689852700 JIRKZDHZFDSTEA-XJKSGUPXSA-N 438.510 0.252 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1691003211 DUQIYQGDUXPRHJ-DLBZAZTESA-N 437.614 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)cc2)CC1 1705638435 LAGQZLAVKXNNBI-IBGZPJMESA-N 435.532 0.723 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705819237 HKSVXYXXQUHGEM-GJZGRUSLSA-N 431.584 0.617 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1705908133 JGFFSAQNACNCGZ-KRWDZBQOSA-N 444.492 0.119 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1706074852 FYIUUBCQDGRDJW-HOTGVXAUSA-N 441.602 0.795 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712891875 OZGQFQXJFMURTK-HZDTVXMRSA-N 439.451 0.922 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)C)CC1 1722452453 GUXAEDXPVZMZNS-WDSOQIARSA-N 432.569 0.918 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740623388 SMGVDLDFHHWVFJ-JKSUJKDBSA-N 431.522 0.121 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CC1 1740691320 ZFMNIZZMSFVIKQ-QGZVFWFLSA-N 439.582 0.725 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1740950731 FOSSSIHEQMOVFQ-UHFFFAOYSA-N 447.569 0.459 30 10 ICEE CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747211827 DUKNLWVTKUEJRI-HLAUDOPJSA-N 429.481 0.152 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760201551 FFMYTFQTJNJPNS-ROUUACIJSA-N 425.537 0.245 30 10 ICEE N#CC1(c2ccccc2)CCN([C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C2=O)CC1 1857317199 WLWLAZZCXKBMHK-SFHVURJKSA-N 430.530 0.707 30 10 ICEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870355152 JVHPPEWBQMXTBZ-UHFFFAOYSA-N 436.509 0.186 30 10 ICEE Cn1nnc(Br)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1970897583 VOUKFOBJOABAOT-SECBINFHSA-N 435.304 0.711 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)n1 2255647931 FZWJWPZKLZKKFZ-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169376 XYIWDRSIHYEIOU-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE C=CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCNCC1 2270516008 SJADJKWGYBSLHO-INIZCTEOSA-N 425.507 0.984 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2317677186 VABLVEWAEISEGZ-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CC(C)C 447283300 RDAMFGOJJWZVCO-UHFFFAOYSA-N 446.479 0.981 30 10 ICEE C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483258892 AOHFNPOCDIKGID-RDJZCZTQSA-N 429.477 0.927 30 10 ICEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508944850 HLLYGQAEEASQHT-UHFFFAOYSA-N 428.541 0.307 30 10 ICEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)n1 551501307 GXKRJMRGYVOWTJ-GOSISDBHSA-N 448.487 1.514 30 10 ICEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 739089663 SFTCSMALFWVSSI-OAHLLOKOSA-N 449.533 0.473 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)cn1 772284287 RAPIMPBKCXVPGJ-UHFFFAOYSA-N 447.520 0.866 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)c1 794578867 GCQNUFABWSFZAW-DLBZAZTESA-N 427.526 0.926 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)C1 807109561 JPLVZTZTSQTNAC-SOUVJXGZSA-N 429.543 0.859 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)c3cc(I)nn3C)CC2)c1C#N 1128031255 VBYQJYGNPMJWFB-UHFFFAOYSA-N 439.261 0.901 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1152127895 CAHQYFVITIRLOE-HNNXBMFYSA-N 443.909 0.788 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2n[nH]c3ccc(Br)cc23)CC1 1152973705 MDDSDLPRXFPXGN-UHFFFAOYSA-N 426.296 0.551 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286462893 ZSIPAXGKTRZGKI-HSZRJFAPSA-N 449.515 0.756 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1286628500 CILOXUIECQPAOI-KBPBESRZSA-N 446.961 0.326 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286778662 IQCZONPNMBVRTE-UHFFFAOYSA-N 448.549 0.758 30 10 ICEE CN(CCN1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298738885 QNIMQZICMZYGLW-HNNXBMFYSA-N 434.522 0.462 30 10 ICEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1300320860 FCYYMOAGDLCPLK-QGZVFWFLSA-N 441.492 0.584 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1300487076 FSFCTHCHQYQOOM-XLIONFOSSA-N 431.518 0.772 30 10 ICEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300755040 ZHPOTCVSQZELKE-UHFFFAOYSA-N 441.561 0.880 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1305786289 FPZJFIRAFYLVLW-UHFFFAOYSA-N 449.537 0.791 30 10 ICEE CN1CCN(C(=O)CC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1318857747 VQGJCEQEMVPQGR-FMQUCBEESA-N 432.525 0.099 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cc(CO)nn1 1358878237 SVIPASAWFUYXHP-OAHLLOKOSA-N 443.533 0.981 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1502207916 YDBWSIVSKRFKOI-NXVVXOECSA-N 438.554 0.973 30 10 ICEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503180372 CUSMWMSSVGTQRI-KRWDZBQOSA-N 441.540 0.896 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1)C1CC1 1507992970 LXPQTHBNVLPUKP-QGZVFWFLSA-N 435.554 0.742 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1509948609 AZYOYVLUFVHEIC-LSDHHAIUSA-N 426.543 0.654 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539210118 AUBMIJZTMDUCBD-QZTJIDSGSA-N 446.577 0.631 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 1539429927 FYOCATYHWCQJKP-ZDUSSCGKSA-N 438.476 0.570 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539512880 GTNVILQISFRXJD-HNNXBMFYSA-N 440.595 0.456 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539613575 ZGMVNXKTRKSQQA-BVIKNXMNSA-N 435.525 0.758 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C1 1540892784 RIMFCJWFPKGQKX-WFXMFSGNSA-N 426.539 0.501 30 10 ICEE C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1542438666 PMBUQGRITUADHY-KRWDZBQOSA-N 437.541 0.529 30 10 ICEE C=CCn1cc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)nn1 1563510501 UXXNVXWUGVIXDD-UHFFFAOYSA-N 434.522 0.626 30 10 ICEE C#C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1563878209 BKZOEXAWCMAENX-MRXNPFEDSA-N 443.367 1.000 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 1564816983 ZSXNBIPFCQQTCU-GOSISDBHSA-N 439.607 0.806 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588129104 XABMNTBIBJNDBY-OAHLLOKOSA-N 444.517 0.360 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)nn2C)CC1 1594097310 QMTYNQPHPDSBLB-QGZVFWFLSA-N 435.554 0.858 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1)C1CC1 1595058138 BOXKPNTXOKTAFT-APWZRJJASA-N 441.554 0.571 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)s1 1630275287 PHOARWQPXZOBJI-WFASDCNBSA-N 437.547 0.799 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CC1 1633298244 NDFQBTUQFWPJFC-UHFFFAOYSA-N 428.555 0.682 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 1634494771 DDENANJRUFBAKV-AWEZNQCLSA-N 430.523 0.920 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc23)CC1 1663955592 XUIFQEHDFKBJHZ-UHFFFAOYSA-N 429.498 0.682 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689936796 DQNDEFZGVHCGEW-UYAOXDASSA-N 441.580 0.803 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1690077631 SRZCVOJOUKSCHJ-MRXNPFEDSA-N 441.554 0.002 30 10 ICEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690106220 ODRLTFZHUDHTDY-OAQYLSRUSA-N 448.545 0.801 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690670595 FMONCUKJACLKQQ-IRXDYDNUSA-N 426.525 0.979 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1691003196 DODUWERSFAZGMP-LSDHHAIUSA-N 426.543 0.512 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1691503138 DJQYVBUGQVJWBW-CQSZACIVSA-N 434.522 0.902 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1698310874 CYAHKQOXHMBOAQ-MPGHIAIKSA-N 426.518 0.896 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705730367 IRQFYARGDZSCAN-HUUCEWRRSA-N 449.599 0.494 30 10 ICEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C 1705838524 RUPUZOGXKCBPGX-UHFFFAOYSA-N 431.526 0.871 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705900128 QXWPDWJWNXNOFH-UHFFFAOYSA-N 435.554 0.351 30 10 ICEE COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1712030850 FPHHLFHTATWOGV-GDBMZVCRSA-N 449.537 0.801 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1722297090 XFIYONIXDQUJMJ-SJORKVTESA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1722368572 SBNDPMOLYXTORH-LSDHHAIUSA-N 425.580 0.999 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722704683 WNHYSIRQXTUZJR-JLHGSKIFSA-N 446.552 0.583 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740623411 SUGYQXMRGJZMKL-HNNXBMFYSA-N 446.924 0.912 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1740653018 WJQYBEJSQGNBHJ-XMMPIXPASA-N 445.527 0.722 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2c[nH]nc2C)CC1 1740696356 RNKSRLGZLBZYJO-SFHVURJKSA-N 431.566 0.600 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748732225 WJMUQUFFNVWKPY-HUUCEWRRSA-N 446.599 0.067 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCOC2)CC1 1748979757 LLASXQQHOYYHDZ-JOCHJYFZSA-N 427.505 0.869 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749026231 IPPPKJCECUHNGS-HNNXBMFYSA-N 437.533 0.954 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749193243 CALNHFMMMYHYPM-OWCLPIDISA-N 438.554 0.150 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1760184171 WJRZRVRHJUFGED-GJZGRUSLSA-N 433.538 0.571 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760450002 BHMMPKIPANNSIX-RBSFLKMASA-N 426.495 0.887 30 10 ICEE Cc1cccc(O[C@@H](C)C(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856918406 DCXKZWHNWVXKEM-IRXDYDNUSA-N 434.518 0.361 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1Cc1ccc(S(N)(=O)=O)cc1 1870668361 WUXJQARCJASKAX-UHFFFAOYSA-N 446.529 0.582 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cncc(N4CCCC4=O)n3)CC2)cs1 1891375912 ZUNUHDGEILSRIL-UHFFFAOYSA-N 441.517 0.938 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)n1 2255605400 LWDVFBNIGHYGSH-UHFFFAOYSA-N 439.322 0.074 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255648549 MJFVXFNIPVLHGH-ZIAGYGMSSA-N 436.318 0.741 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267518668 GGVSUNJLLRDWQQ-CQSZACIVSA-N 449.361 0.990 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC3)C2=O)n(C)n1 409514660 QYVDRKRGUQDKRX-DOTOQJQBSA-N 437.570 0.178 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(F)F)c2)CC1 467471771 KTPKGOYSOGRSBU-UHFFFAOYSA-N 438.416 0.621 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1[C@]1(C)NC(=O)NC1=O 732668828 AFPQPPQFWLCHNS-DJJJIMSYSA-N 433.490 0.111 30 10 ICEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)s1 752193657 KAPLESVJFXYOPR-ZDUSSCGKSA-N 448.570 0.373 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(C[C@@H]3CCCO3)c2=O)cn1 772277347 HSVJGINDXVGXPL-INIZCTEOSA-N 427.530 0.805 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)ccc1F 785430953 RMTDSPVGMNXWER-NWDGAFQWSA-N 429.470 0.476 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 1175515119 RWLWSILFIYVXOP-UHFFFAOYSA-N 439.559 0.628 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286491476 SZFCOEGRIIDWDN-HXOBKFHXSA-N 438.532 0.770 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1286568175 XWCVGABQYSPRRI-OPYAIIAOSA-N 446.552 0.723 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1286793957 QRBGLWCGKHJFQU-UHFFFAOYSA-N 432.529 0.729 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286818751 NEPRWTNMICMMBU-SJORKVTESA-N 434.522 0.720 30 10 ICEE CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1290932524 YICHKHRUBWIXRW-MRXNPFEDSA-N 441.550 0.399 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1303638782 BWRNKKMLOOXSNF-IRXDYDNUSA-N 439.586 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c(Cl)ccnc23)CC1 1309801382 IOBGBBMBWIVQOV-UHFFFAOYSA-N 428.923 0.662 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 1312326800 IAYQLKNLFNUFSG-QGZVFWFLSA-N 444.561 0.907 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1314645115 JXQHQZBSCPWOIX-UHFFFAOYSA-N 434.504 0.987 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1358885684 OMFPYAYIKDTIRR-AWEZNQCLSA-N 445.487 0.803 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359221713 LHXNDVHIKMAEBQ-UHFFFAOYSA-N 428.559 0.481 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1359286615 FXJGOPIPROMWNH-MRXNPFEDSA-N 439.586 0.904 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359341656 DCYOPNRWRUAGDI-LSDHHAIUSA-N 442.611 0.914 30 10 ICEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(C#N)CCCC1 1452766221 GIKLHJFULBELRG-MRXNPFEDSA-N 427.548 0.968 30 10 ICEE CN1CCN(C(=O)c2ccccc2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1464103945 AUEFXGSEBMQRGQ-UHFFFAOYSA-N 441.513 0.863 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1464848110 NNVIPYRORGCLDL-KRWDZBQOSA-N 441.919 0.848 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1505319522 YUQOAMNKLNMPLO-NZSAHSFTSA-N 440.504 0.970 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1510218425 NEIOOAXOOFVPTN-XIRDDKMYSA-N 435.554 0.410 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539430158 HJDAUMVJFXRMOS-ZWOKBUDYSA-N 438.598 0.991 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCOC2=O)CC1 1539430771 NOLXRIHBXNBAAY-QFIPXVFZSA-N 446.552 0.916 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H]1CCCN(O)C1=O 1556782948 XXLRVWUQEOAUNS-INIZCTEOSA-N 440.522 0.131 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1587808316 PUUXOQMLQQAEKM-KXBFYZLASA-N 435.554 0.787 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1587989278 IJWACTFUSBTDAR-GOSISDBHSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588029606 JLFVLSHBTSZDPI-KRWDZBQOSA-N 437.566 0.860 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCOC2)n1 1588724375 XSTDGEHQPAJPIM-OAQYLSRUSA-N 425.493 0.907 30 10 ICEE CO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619503440 MOJNAIQLVQASNS-MVZUJROASA-N 443.508 0.542 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1620175694 WJUISBDIAJHWCP-HNNXBMFYSA-N 448.505 0.384 30 10 ICEE C#CCN(CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)C(=O)OC(C)(C)C 1627057073 BJMWSMDSHBLVER-UHFFFAOYSA-N 449.596 0.554 30 10 ICEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)cn1 1634631040 JJUBWOQRBVFOEW-UHFFFAOYSA-N 448.501 0.484 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(O)CCC3(CC2)OCCO3)s1 1635274752 VHVFVSMIUOMMCS-UHFFFAOYSA-N 430.548 0.919 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)CC1 1636801293 PQBNVPSDMDCKSR-UHFFFAOYSA-N 443.570 0.619 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1690047005 KBMJDYOYJZUWJO-MSOLQXFVSA-N 437.566 0.745 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1690485671 ZOUFGAGAKJNJJI-OAHLLOKOSA-N 425.555 0.878 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690655306 OELURNVAJCCFGA-UONOGXRCSA-N 426.543 0.074 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H]1O 1697064473 NYROSBMDJQEZQQ-RTBURBONSA-N 442.520 0.755 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705565825 WSDPLJZZSLINPE-CYBMUJFWSA-N 440.476 0.292 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1705664714 YTASWICVABGKNM-UHFFFAOYSA-N 440.595 0.285 30 10 ICEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705720768 QOCUNJKROSBJPA-UHFFFAOYSA-N 445.568 0.933 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1705897083 FVDGRXJDODUSDY-HNNXBMFYSA-N 440.570 0.588 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705907537 PQVNOFWQYIWMAJ-AWEZNQCLSA-N 443.474 0.776 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1706593941 ZLIJIIYRKSRRHO-DCOQFNDQSA-N 445.524 0.946 30 10 ICEE CCNC(=O)N1CCN(c2nnc(COCC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1710343782 XIKWFYFOBCDTRU-ISLYRVAYSA-N 446.512 0.193 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371087 HBUFWOOLGCJMNW-KRWDZBQOSA-N 447.565 0.245 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O 1722423586 IXJWKQHLKUVLOE-UHFFFAOYSA-N 435.506 0.352 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722453130 OIEBCSAYALFCRY-UHFFFAOYSA-N 440.595 0.352 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722532632 RTOQYDRZTDBKPY-WMZOPIPTSA-N 445.568 0.611 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722630353 YOCJGQSIOJQKCC-CABCVRRESA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722703816 ITNZKZHAKFRLTQ-FCHUYYIVSA-N 448.568 0.533 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722724125 OHKKFBPCXKWLLB-SFHVURJKSA-N 432.550 0.536 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1723622229 SRKCEBIGBLVNKE-NVXWUHKLSA-N 443.483 0.628 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1740960308 PCYAWDKPRMDDIE-KRWDZBQOSA-N 433.534 0.481 30 10 ICEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)CC1 1748994996 VNVBHTVFDRLIDT-UHFFFAOYSA-N 441.561 0.586 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1760248709 CUDDFWYHESZOGC-DENIHFKCSA-N 427.505 0.943 30 10 ICEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760352955 CGECDMLDEZXYNB-SFHVURJKSA-N 435.488 0.556 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760545280 REFYZLSKKVNOQZ-JKSUJKDBSA-N 433.538 0.798 30 10 ICEE N#CCCN1CC[C@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)C1 1855074383 SDHANJLCYFKEOW-KRWDZBQOSA-N 436.509 0.648 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255619986 UXFLOSHOZSYZQQ-KBPBESRZSA-N 436.318 0.809 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(=O)N3CCCC3)C[C@H]3CCCO3)CC2)o1 464803229 WVBHSJIQRJRHCV-GOSISDBHSA-N 444.536 0.607 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cc1 488275355 WPUWHOYQQAXEJB-VQTJNVASSA-N 439.516 0.940 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603797703 FUFPGDKWKTXMAL-HNNXBMFYSA-N 431.539 0.512 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 1116723049 XAXFMXIISCRILJ-UHFFFAOYSA-N 426.520 0.009 30 10 ICEE CCOC(=O)Cc1csc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1154779452 YJKXUWPPVNHJKQ-UHFFFAOYSA-N 436.515 0.994 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 1214687220 PAVNZVHEIQANQH-CQSZACIVSA-N 430.552 0.991 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286359520 XYIJAPUPOLTDHN-UHFFFAOYSA-N 439.501 0.951 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286686570 BABDOXRDEATQKA-HNAYVOBHSA-N 440.570 0.669 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794017 STAXKNHPENOKJC-NRFANRHFSA-N 432.525 0.432 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1286823764 QOULTXORTSTFIL-AWEZNQCLSA-N 437.497 0.909 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)N(C)C)cc1 1291832739 RGCISDOFPXLLPM-CAPFRKAQSA-N 445.567 0.614 30 10 ICEE CC#CC[C@@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1300299558 ALXZKNMUBFGPCC-ZDUSSCGKSA-N 436.424 0.934 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301491747 XLHQUYMGUWVFPL-UHFFFAOYSA-N 435.554 0.446 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1303003736 JSLDMFDZEBPJKI-ZBFHGGJFSA-N 427.440 0.725 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1359302213 ZLPJLYLMAXJYMP-UHFFFAOYSA-N 448.474 0.744 30 10 ICEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 1463090468 MIXVAOPAJIFIOW-HXUWFJFHSA-N 435.502 1.000 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 1463594101 ANZIKCAZJXFDCV-INIZCTEOSA-N 429.539 0.414 30 10 ICEE CS(=O)(=O)N1CCN(CCNC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1468485040 AAXAZWMKODBLLA-UHFFFAOYSA-N 434.566 0.403 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508084487 CFRBVVQTUAGBFU-IERDGZPVSA-N 428.468 0.768 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1516983907 WJSFTNQPRJTOCK-UHFFFAOYSA-N 440.508 0.124 30 10 ICEE CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOC1 1517924872 JWDVRJFZAJAGTR-NRFANRHFSA-N 441.492 0.757 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539744780 WOGSYLJOFFVTEF-LSDHHAIUSA-N 431.497 0.295 30 10 ICEE COCC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1555417068 GCIPENZUFCSLOO-KBXCAEBGSA-N 428.559 0.806 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@H]1CS(=O)(=O)C2 1558642837 FGBREKZQULZUNQ-ZUZCIYMTSA-N 437.279 0.435 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2CCO)CC1 1560162071 XFKWNJAHAAOQEJ-MOPGFXCFSA-N 438.525 0.016 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1587807674 HTDFQGSUDHXEIT-CYBMUJFWSA-N 429.506 0.837 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588045627 NNPRTQJSOYBATO-OXJNMPFZSA-N 431.518 0.772 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1595530082 RYTXLWAWMBEVBW-UHFFFAOYSA-N 428.541 0.529 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595784070 BIJVANZIUKACJF-HNNXBMFYSA-N 442.567 0.293 30 10 ICEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1598080851 UUDVDTQUUPDFPD-UHFFFAOYSA-N 425.493 0.827 30 10 ICEE COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1619600676 BIEMDBFTQXXQLK-IRXDYDNUSA-N 440.508 0.484 30 10 ICEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CN1CCO 1626821682 IWBIESOENASVSL-DLBZAZTESA-N 434.562 0.872 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1634742250 DYGCELQRAMJVQA-MRXNPFEDSA-N 439.534 0.898 30 10 ICEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1640250260 JFXTZOBWLFTMDQ-IBGZPJMESA-N 433.490 0.450 30 10 ICEE C[C@H](CC(=O)NCCC1(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1645345475 WGOVLDILYVQYSK-CYBMUJFWSA-N 427.548 0.835 30 10 ICEE C#CCN(C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1673446675 YLIFWGQAUCCOGI-KRWDZBQOSA-N 425.532 0.876 30 10 ICEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1684851087 CEXNIRINWNIXCZ-CRAIPNDOSA-N 426.477 0.409 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCCCC2=O)CC1 1690110677 VZJCGDCOLXSEPE-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690675980 LONVGXXCQSVHCE-MRXNPFEDSA-N 437.497 0.922 30 10 ICEE N#Cc1cccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)F)c1 1698486327 KAPHJTDKEHOWHM-CABCVRRESA-N 429.431 0.913 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705567125 UNGMJFGTNFZAMY-MSOLQXFVSA-N 442.545 0.802 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705652720 KXYRFCLHIJCUID-OAHLLOKOSA-N 425.580 0.894 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705658195 HVXCOVIKVDQQKZ-UHFFFAOYSA-N 444.565 0.218 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cn(C2COC2)nn1 1708728591 CNVINFFENUXXSG-LJQANCHMSA-N 431.476 0.850 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722729917 AWMWLOHSCFQOOE-GASCZTMLSA-N 425.536 0.796 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740624200 DMXGZNOLPBLXCX-PXNSSMCTSA-N 431.518 0.042 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740696013 JSQWMONVEBLOKH-GOSISDBHSA-N 444.561 0.494 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740960630 WOFQVNRWRIPQCM-RHSMWYFYSA-N 447.517 0.716 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748817701 OQZZTJASZWBSLG-GOEBONIOSA-N 438.941 0.959 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749678194 YVORLIHVVIXWKS-UHFFFAOYSA-N 425.493 0.438 30 10 ICEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1749693741 HIVRLBQYCZJKAW-MRXNPFEDSA-N 428.497 0.622 30 10 ICEE C=CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749744554 LYKVSVFBSFSAPI-UHFFFAOYSA-N 436.582 0.828 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1760187611 KLWXOMCLTFZJNO-DLBZAZTESA-N 426.539 0.462 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1760243145 VVXOQNBOMIKIGM-AWEZNQCLSA-N 438.558 0.369 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)CC1 1760262510 ZVJHVEFXTOWVLS-IBGZPJMESA-N 434.610 0.811 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)CC1 1760389376 JMUNQTGGDBWYON-QGZVFWFLSA-N 435.554 0.973 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1F 1761500184 GWPQGOZSVCYGQQ-BXUZGUMPSA-N 426.449 0.944 30 10 ICEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c1OC 1890475807 XXRGOSCYDVXYLT-ZDUSSCGKSA-N 432.458 0.911 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2255839003 OVHIKLSATYPRGF-GFCCVEGCSA-N 437.306 0.785 30 10 ICEE COc1cccc(/C=N/Nc2n[nH]c(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)n2)c1 105376339 BJKRQVQVXDNRFR-QGMBQPNBSA-N 427.450 0.684 30 10 ICEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 429461201 HTRWMULHKONDJX-DJIMGWMZSA-N 431.518 0.583 30 10 ICEE CS(=O)(=O)N1CCC[C@@H](CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 444052091 PUVNJQMASHOWSG-INIZCTEOSA-N 426.564 0.536 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447788021 SLRWOCMUIKKXRO-UHFFFAOYSA-N 435.509 0.477 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCSC[C@H]2CCO)CC1 470369789 QFAVOANJLUAAJP-QGZVFWFLSA-N 438.575 0.191 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@H]1CCCO1 477440398 APCRAMHQRKLVLG-MRXNPFEDSA-N 440.525 0.688 30 10 ICEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508860020 XXVJTWZTNUHSHU-UHFFFAOYSA-N 433.538 0.149 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)n1 546876211 HQAKJIFWCFINNN-UHFFFAOYSA-N 447.542 0.998 30 10 ICEE C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 564050589 NBUKYOVOJXLVHB-LJQANCHMSA-N 428.426 0.923 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCN1C1CC1 732652098 NCSMQQQIELXBAB-SJORKVTESA-N 444.513 0.822 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C[C@H]1CCCO1 758555359 CPWVCHJKEADYFV-MRXNPFEDSA-N 439.541 0.333 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 760849537 XYNSGFFEXFIVHL-HZPDHXFCSA-N 441.550 0.541 30 10 ICEE C[C@H](CC(=O)OCC(=O)N1CCOC[C@H]1C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 766116629 XATYRZMABZCEFM-CJNGLKHVSA-N 435.502 0.684 30 10 ICEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(F)c1 798739983 HGHYIVGEODZRMR-CYBMUJFWSA-N 428.424 0.944 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809895398 UJWIUMYPLZEYAY-WMZOPIPTSA-N 434.566 0.930 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286466853 ORODVQGPMFNKNR-SFHVURJKSA-N 432.550 0.631 30 10 ICEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302457848 DRPIJAMPHCTBSX-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1305117075 RBFSBBREUWRURF-VYJDPBSCSA-N 443.508 0.713 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 1309800385 AAPZQFFXJMACAO-UHFFFAOYSA-N 445.416 0.498 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3ccccc3OC)s2)CC1 1310768581 YGSQXZACWWYKQH-UHFFFAOYSA-N 436.519 0.831 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1358961849 GFORBKTVXZNMOK-HOTGVXAUSA-N 448.574 0.864 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1359281704 HJVCOHWIBPNYFN-QGZVFWFLSA-N 439.582 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359331329 VRXHQPNYRVKNBG-SFHVURJKSA-N 439.563 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1359331492 AXZCRMSYUNVYGH-HNNXBMFYSA-N 449.537 0.905 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1463163675 BWFAREARNKOJLF-UHFFFAOYSA-N 439.335 0.767 30 10 ICEE CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1495516435 LVXGHTNQHLTRMR-GGNAOWBESA-N 436.538 0.941 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507843191 SINOZZNGOOHVNA-UHFFFAOYSA-N 430.557 0.918 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1513408039 GTGBKGGQGSJXBK-CVEARBPZSA-N 438.554 0.893 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1=O 1517412538 WGYNLJGPTHVPOI-AOMKIAJQSA-N 437.504 0.909 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1518478780 DBDNRVMVEGDKSM-QGZVFWFLSA-N 426.477 0.465 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)S(=O)(=O)CC)CC1 1539454203 ZWYCUGSIBIIZDW-UHFFFAOYSA-N 445.593 0.691 30 10 ICEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1554185106 HSIJIBRCYNHFHK-UHFFFAOYSA-N 444.521 0.648 30 10 ICEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CCO1 1555993064 HKMXJSJANOJHHQ-GOSISDBHSA-N 437.504 0.928 30 10 ICEE C=C(Cl)C[C@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)C(=O)OCC 1557934834 PIAAKOFFRAILAW-AWEZNQCLSA-N 437.884 0.911 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1584037363 ZCRWRWYYNFUBOW-SNVBAGLBSA-N 436.387 0.925 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 1616928104 OWPCDHWTOILBSH-UHFFFAOYSA-N 444.561 0.903 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619620834 YNQHVCLAEWGPQZ-HZPDHXFCSA-N 428.472 0.807 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)(S(C)(=O)=O)CC1 1622396203 VOUZQPTUTKOZSV-UHFFFAOYSA-N 442.538 0.385 30 10 ICEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 1623599300 MQTHOFYSMGKBEU-KRWDZBQOSA-N 426.477 0.786 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 1632624766 ZCHJPPBKKUCURB-UHFFFAOYSA-N 446.309 0.322 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639174976 ICPGCKRQUKXUSE-MKBNYLNASA-N 431.923 0.404 30 10 ICEE Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1653069454 NHECNIXMEGHMGP-MAUKXSAKSA-N 425.532 0.369 30 10 ICEE C=CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1 1664571277 XPTNXHNDUYEELB-UHFFFAOYSA-N 439.441 0.783 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1680685718 MMPLXZPGGCRNSG-UHFFFAOYSA-N 430.552 0.027 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1689852977 NLQJLYOHUMVZNA-HZPDHXFCSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689986553 SEFCBKLXYHBNAK-PKOBYXMFSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689993702 JQQDGFIVCWZRCW-JYRCXFKTSA-N 435.575 0.659 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1690047526 SRLCGCKTDPWYII-INIZCTEOSA-N 429.502 0.666 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1691010390 GQIZHMQSWAQYDT-WMLDXEAASA-N 425.493 0.989 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1705626912 NIGSBEDOYOTOHO-UHFFFAOYSA-N 435.488 0.580 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cn[nH]c2)CC1 1705645310 PZPCEMTXYONMDQ-JOCHJYFZSA-N 441.536 0.862 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 1705786210 ISOZWBZVMQGQTL-AWEZNQCLSA-N 448.615 0.572 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705979243 IFAHGPAGINFEIE-OSCRUYLVSA-N 443.508 0.367 30 10 ICEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712164644 NBFWHAFAVBQDBP-LSDHHAIUSA-N 445.503 0.778 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722368223 PTOFNWYQZMHVEK-SJLPKXTDSA-N 432.550 0.775 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCS(=O)(=O)NC)CC1 1722441002 HONTZCQMXQQOPF-UHFFFAOYSA-N 446.577 0.724 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722865261 ZDOVCIZKIBFSNA-LLDVTBCESA-N 426.543 0.822 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC1CC1 1740551530 LFNHNYXBZOVADK-DOTOQJQBSA-N 425.555 0.886 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740642210 SLLSNXQJMCAVSW-GOSISDBHSA-N 436.491 0.957 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O 1740774719 YWZZDJXHQLHOJA-OAHLLOKOSA-N 449.599 0.448 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748817474 LFJAEPWTOVVVEB-INIZCTEOSA-N 442.607 0.928 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749038938 MZGFMRUAHKVFNE-ZIAGYGMSSA-N 425.536 0.187 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1749213637 PJRYWKJOMQKVML-CQSZACIVSA-N 428.559 0.586 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760346019 DQHAFRZZXSKUMM-OAHLLOKOSA-N 445.549 0.577 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760558265 KUNHPPIKHNBNBE-UHFFFAOYSA-N 432.506 0.950 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1760565785 FAYNGAQQIDHQDK-HNNXBMFYSA-N 443.595 0.394 30 10 ICEE CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763458405 MLJNBKXNXJDQIV-HFUDNHEJSA-N 431.497 0.558 30 10 ICEE CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1769075933 WCQYMUXMOPMTRM-SCYHOBCLSA-N 445.524 0.804 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1770335546 FASBXGYBNOPKAJ-CVEARBPZSA-N 430.490 0.796 30 10 ICEE CN1CCN(C(=O)CN(C)C(=O)CCON=C(N)c2ccc(C(F)(F)F)cc2)CC1 1853584786 YOSGYBRFHOVPHV-UHFFFAOYSA-N 429.443 0.965 30 10 ICEE C=CCNC(=O)NC(=O)C[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882608790 CDZGFIXLLKJLCS-ONSXPEOJSA-N 425.463 0.517 30 10 ICEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676084 FLIBAPXOEJICMX-ZJUUUORDSA-N 428.320 0.472 30 10 ICEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256062108 QKHBWOSLWGMOJX-UHFFFAOYSA-N 433.318 0.973 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480930184 ICJVBADNMFYXMS-OAHLLOKOSA-N 447.513 0.094 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 514835497 IEQGCDKVPFCALH-UHFFFAOYSA-N 444.532 0.409 30 10 ICEE CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 538183450 HMKPHNBJFSUPSQ-DLBZAZTESA-N 449.533 0.210 30 10 ICEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706065 DFQZVCBXWMJZPM-KRWDZBQOSA-N 441.488 0.305 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 749093617 DSJLNNRKNCWFES-LUKYLMHMSA-N 434.470 0.163 30 10 ICEE Cn1cc(S(=O)(=O)NN=Cc2c[nH]c3ccc(Br)cc23)c(=O)n(C)c1=O 771896831 JNUMZMOVNJPHGV-UHFFFAOYSA-N 440.279 0.640 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 917926050 TUGSNBLRFCIIEW-ZDUSSCGKSA-N 438.449 0.790 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 918756243 MMPSICCJIXXWQQ-DOTOQJQBSA-N 442.534 0.875 30 10 ICEE C#CCN1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1154966039 CBVWQJFELLRQFA-XDNAFOTISA-N 439.578 0.870 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)CC1 1210110720 CKCOMTDGFYYHPV-UHFFFAOYSA-N 441.481 0.067 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286783765 KZJWQFOCOLZCOM-CVEARBPZSA-N 440.504 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1286820099 DWCIDMNUPBQDFJ-HNNXBMFYSA-N 447.583 0.058 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286829869 GMHVIRMFLCIQQL-UONOGXRCSA-N 428.584 0.619 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNS(C)(=O)=O)CC1 1300688129 BEQANGATBZCAAC-UHFFFAOYSA-N 432.550 0.648 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@@H]1C 1301401616 CPQSZOROHXIAMZ-GJYPPUQNSA-N 441.554 0.329 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1301568176 DBXLAICDBMBJME-BYNSBNAKSA-N 431.584 0.724 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C(C)C)CC1 1359046886 JONWGFUDHLKBQD-JOCHJYFZSA-N 430.553 0.773 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359304624 DCBQWHYKUYCBJK-UHFFFAOYSA-N 430.513 0.550 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)s1 1441305316 FAJAVIXTXSYBMN-ZDUSSCGKSA-N 435.593 0.543 30 10 ICEE CS(=O)(=O)CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1461049147 BQQXNWIMJMVANJ-UHFFFAOYSA-N 427.548 0.900 30 10 ICEE COC(=O)[C@H](CCC1OCCO1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471372799 DUHGPUQDYZLHMI-AWEZNQCLSA-N 439.490 0.316 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 1475406756 RLMXFDPNGQBBMB-UHFFFAOYSA-N 431.873 0.321 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507622179 GSYVSIUBOPEFSG-LSDHHAIUSA-N 443.595 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@H](C)CC)CC1 1507738550 RFHIXUHXJPUTOK-MRXNPFEDSA-N 440.552 0.949 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1519447254 CPCFJWZZMBTDLC-HAGHYFMRSA-N 448.568 0.968 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1540910124 YNSXLLBCUPHWDJ-CYBMUJFWSA-N 444.583 0.886 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCCO1 1545058624 GZMFIVCSMQUEGA-HNNXBMFYSA-N 434.522 0.893 30 10 ICEE CCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1547366749 ZWFZKXGDLZMTPZ-HFUDNHEJSA-N 434.522 0.695 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2OC)CC1 1558073491 UWNUOHLWEQLPAI-UHFFFAOYSA-N 437.518 0.669 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(C(=O)CNC(C)=O)CC3)n[nH]2)c1C 1586966797 AOBFTNUXIYRTNZ-UHFFFAOYSA-N 427.509 0.887 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588884473 BMFFYJYYCJMRBM-MSOLQXFVSA-N 446.552 0.434 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1589483493 OTZHSCGADOOLRW-IRXDYDNUSA-N 431.541 0.957 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1617486576 GPJLRQGUFOJXSA-UGSOOPFHSA-N 443.522 0.865 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1623403804 FZDOEJDKAJONKL-UHFFFAOYSA-N 436.553 0.544 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1625651304 PMVIVGWENRSMNO-STQMWFEESA-N 437.946 0.784 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCN(O)C1=O 1628547598 HKGCLQBXSUZKDR-ZIAGYGMSSA-N 431.898 0.370 30 10 ICEE Cc1nn(-c2cccnc2)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629485292 LPFJMCGCWMVSQM-UHFFFAOYSA-N 437.485 0.989 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1632960342 FKQVNSJACJYRLT-INIZCTEOSA-N 441.554 0.575 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)CC1 1650849031 RADYCJYCNOZPCI-UHFFFAOYSA-N 447.517 0.174 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1675815401 IMLZVSUNKPYRNL-KYNGSXCRSA-N 442.538 0.592 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689988006 HKMQBJFLOCRLKN-OLZOCXBDSA-N 442.339 0.765 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1690508045 ACTVFYPTTXELAW-HOTGVXAUSA-N 425.555 0.735 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)C1 1690699855 KBTLYMPRIOHPMA-ZRDSACAASA-N 440.566 0.892 30 10 ICEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705544533 UJLWYKKPAJUKTE-HXUWFJFHSA-N 426.502 0.954 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705565627 IJWZQZMXDHOBCN-SJORKVTESA-N 428.518 0.608 30 10 ICEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1712696426 AUBVAFQUEVQMJL-IAGOWNOFSA-N 428.518 0.966 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722363963 IUPWBNAANHJBNS-PXNSSMCTSA-N 449.533 0.902 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1722536277 CSTGSWUVBRCTNB-INIZCTEOSA-N 441.554 0.068 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722628983 FDQWNNITPUUTBT-YESZJQIVSA-N 437.566 0.830 30 10 ICEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1740614907 KONXFONVTBFTBB-IYBDPMFKSA-N 432.525 0.977 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1748780577 CHNZYLDYRSKTMV-UHFFFAOYSA-N 434.518 0.971 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1748949565 DREGRCTTWPGEEO-PXNSSMCTSA-N 440.566 0.984 30 10 ICEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749616367 DBHOIQCNWBROKK-FUOQNJDISA-N 448.568 0.966 30 10 ICEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760135452 WIIBRCHXHIKYMB-SFHVURJKSA-N 449.515 0.947 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760186980 BPYMMEVSJDPOPS-RZQQEMMASA-N 430.534 0.913 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760520304 JPRVIJQGJAOVIX-UHFFFAOYSA-N 446.519 0.883 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1760520868 CCODPZCMJLPNCJ-UHFFFAOYSA-N 445.480 0.587 30 10 ICEE CCOCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1766614068 OLUCLTJWCXWBNV-ZZEZOPTASA-N 429.525 0.840 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1770740846 PDFIUMSZYMBUGT-ZWKOTPCHSA-N 431.518 0.837 30 10 ICEE Cc1ccc(OCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1C 1856919622 SIVUSWVKMNTLSW-KRWDZBQOSA-N 434.518 0.281 30 10 ICEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)n1 1857969860 RSHWCRHTAXGTJV-UHFFFAOYSA-N 440.485 0.405 30 10 ICEE Cn1nc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267541737 HZUKPXMIEFBHOW-SFHVURJKSA-N 439.369 0.923 30 10 ICEE C#CCN(C1CCNCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286047691 DNIBJKFYOVCVAI-GOSISDBHSA-N 437.518 0.471 30 10 ICEE Cn1cnc(S(=O)(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 446965021 DWXNXJBWOZNRCE-AWEZNQCLSA-N 434.503 0.110 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(OC)ncn2)CC1 572305870 CUVJQYQSEUKGGZ-OAHLLOKOSA-N 433.538 0.882 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 604523194 FKPFTZZEVXUSKL-UHFFFAOYSA-N 440.481 0.778 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)c1 763438806 XVEARCVHRBIJIB-UHFFFAOYSA-N 428.558 0.699 30 10 ICEE C[C@@H]1COCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 769271567 WLIYNOGUHWDPOX-WBVHZDCISA-N 435.502 0.607 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1286822361 DDQQKSRSJTWIAT-CYBMUJFWSA-N 428.584 0.619 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1300563986 RCSLKDXQXGIHAR-UHFFFAOYSA-N 449.558 0.361 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1300672367 ZSQPLUJYVDITNG-SFHVURJKSA-N 449.533 0.451 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1300688707 JUMMNUXEFOFURL-HSZRJFAPSA-N 440.548 0.784 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300722320 ISJUKAXNGSMHSH-JQHSSLGASA-N 428.537 0.746 30 10 ICEE Cn1c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc(=O)n1-c1ccccc1 1303886175 RBKUOHZZQOHUQO-UHFFFAOYSA-N 439.497 0.921 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1312485106 HJXXTMPUGLYZQC-QGZVFWFLSA-N 434.522 0.281 30 10 ICEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359182359 CZKRCGFQZFQLBE-MRXNPFEDSA-N 445.568 0.946 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359304570 BINOVHOWWBFKKH-CQSZACIVSA-N 437.497 0.922 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CC[C@@H]21 1359327345 YWVDHNFLLOTHLQ-KFWWJZLASA-N 431.584 0.868 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c1 1454491099 DAHOAMZJJZLQMJ-IBGZPJMESA-N 428.514 0.624 30 10 ICEE N#Cc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CCOCC2)cc1 1454684896 XUXRJLBABFMXGQ-LJQANCHMSA-N 426.517 0.861 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1503414870 ZNYMLHSOKXIQRF-OKZBNKHCSA-N 431.518 0.980 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507630897 JLVLEHIFRLBZDI-SJLPKXTDSA-N 431.566 0.647 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1507700517 QZMGHRGOQDAJDR-MRXNPFEDSA-N 434.497 0.557 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)N2CCOCC2)CC1 1507736161 GIWXZVPWVRELEI-UHFFFAOYSA-N 425.493 0.098 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CC)CC1 1507737189 ZQKCTWUNVUREHT-LIRRHRJNSA-N 440.570 0.015 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1517430763 CRJQURNOKPOSED-RDJZCZTQSA-N 433.557 0.951 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1539369337 JVXSVOCAFWDIDX-AWEZNQCLSA-N 437.526 0.259 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539516711 AVJNTGFJYUNFLI-KRWDZBQOSA-N 446.577 0.419 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1554512235 KMUDIPYHCBUCOK-MPGHIAIKSA-N 426.543 0.681 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588049854 MGEWXMIFXSTQRY-HNNXBMFYSA-N 442.501 0.923 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588050342 RMZCGPSWIBYVKJ-KRWDZBQOSA-N 430.534 0.739 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1588385193 GBJXBSQITLTSIU-ZIAGYGMSSA-N 433.481 0.495 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1632095479 QJSZBZVIARIJGX-HOTGVXAUSA-N 426.539 0.609 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 1636372594 JBCWCYFPAZHRRH-OAHLLOKOSA-N 434.522 0.072 30 10 ICEE C#CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cn1 1640013026 VVHPIGMCYANZLO-ZACQAIPSSA-N 436.534 0.803 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(I)s2)CC1 1653016760 HYYLHSBIHICUHN-UHFFFAOYSA-N 425.317 0.938 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)CC1 1661771767 WSDJNJAJEQOPQK-IBGZPJMESA-N 425.526 0.470 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689990130 LZBXBLSQRDOBDS-ZWKOTPCHSA-N 443.529 0.556 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1690031288 GANJRUPBCKAGBY-UHFFFAOYSA-N 426.502 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690727225 XLVHGOKRLUUPOA-CYBMUJFWSA-N 438.579 0.902 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705558969 NKPOOFJNWZVHGP-XGHQBKJUSA-N 449.577 0.692 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705638160 ASJBDMFTDPVPHC-INIZCTEOSA-N 434.566 0.342 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C2CC2)CC1 1705642498 WBDSJMWQBQUFID-UHFFFAOYSA-N 441.561 0.551 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705730363 IRQFYARGDZSCAN-CABCVRRESA-N 449.599 0.494 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCC(F)(F)F 1706890008 KINSPDIBUGSTOH-WDEREUQCSA-N 442.489 0.913 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1722413223 KAGNDWGCWZAASQ-OHZJNBGDSA-N 443.595 0.372 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)CC1 1722432710 ZFVNMOGYESONFO-HNNXBMFYSA-N 435.554 0.551 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1722536283 CSTGSWUVBRCTNB-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1740640861 XYCFYIIOTUTJFU-KRWDZBQOSA-N 436.501 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749668698 CVEXWWOFBJBXLV-QWHCGFSZSA-N 430.431 0.589 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1752269878 BBQPEVQCEAFNLR-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE C=CCNC(=O)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528761 LRFCJNSRUKNORG-OAQYLSRUSA-N 435.525 0.618 30 10 ICEE COCCCn1c(C(=O)N2CCC[C@@H]2C#CCN(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1890164483 FOHMLMAQQBRASX-INIZCTEOSA-N 429.521 0.245 30 10 ICEE CC#CCN(CC(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900626780 UOZQJCPKPIZZQQ-UHFFFAOYSA-N 429.514 0.611 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247950371 ATLZRBLQAUPILJ-QWHCGFSZSA-N 442.347 0.663 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2255948697 OREDDNGZURJYOE-UHFFFAOYSA-N 447.370 0.621 30 10 ICEE C#CC[C@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270514551 PVMVPXLHKCKZJG-APWZRJJASA-N 426.491 0.396 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1C[C@H]2CCO[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 2286040200 JHCBYFIYBUYKFO-MDZRGWNJSA-N 437.474 0.399 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532369 HVOKWPIZLBBCTA-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1CC(N)=O 3993832 VSVRJBUXAZABAX-XDPNNTCOSA-O 437.523 0.149 30 10 ICEE COCCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 492890836 ISDVJUFMVAOYMT-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 571124517 DTDPAQBGBXXOTF-UHFFFAOYSA-N 434.396 0.448 30 10 ICEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 623010614 KJQWVXYDLUBIAE-UHFFFAOYSA-N 425.510 0.879 30 10 ICEE CN1CCN([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2cccs2)CC1 732440989 BHKCMIPKCJPHDH-MJWGMMHASA-N 432.550 0.862 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)n1 760779614 XUUDGVCICAWBKP-QHCPKHFHSA-N 430.468 0.995 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CCOC 772278217 MRIIBBFUJOTORT-UHFFFAOYSA-N 436.331 0.876 30 10 ICEE CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1136281674 LYUYPSQIOYGOFX-CAPFRKAQSA-N 439.519 0.973 30 10 ICEE N#Cc1cn(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)c(=O)nc1O 1138042222 BQKDRCHBEOEAHY-CQSZACIVSA-N 432.234 0.283 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cnn(C)n2)CC1 1286494945 WFEQNYBPOYHWOT-SFHVURJKSA-N 440.552 0.899 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286540428 BCNZNMUGDMDTED-NEPJUHHUSA-N 445.343 0.303 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1286712484 ZYXGZRWATDJWNK-DLBZAZTESA-N 425.555 0.294 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC=C)C1 1286808427 BSAKCLJLCYJXCG-JKSUJKDBSA-N 444.579 0.562 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1300479910 UXZTXAAPTNUNGT-AWEZNQCLSA-N 445.492 0.770 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300487707 LRBDCISCAYCDQM-SJORKVTESA-N 432.550 0.621 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1301922966 OBYGWHDJFOHSSF-FMQUCBEESA-N 443.508 0.052 30 10 ICEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)CC1 1303941397 ACVHHGOAYBOGRT-CQSZACIVSA-N 444.583 0.250 30 10 ICEE C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1320582967 CFFPMTHAPYXACZ-HNNXBMFYSA-N 445.563 0.615 30 10 ICEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359341425 WTRPNNFMFITUQD-UHFFFAOYSA-N 446.581 0.771 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccccc2Br)C1=O 1461481300 DXMJASXLSBZLJT-ZDUSSCGKSA-N 438.234 0.756 30 10 ICEE CCc1nnc(N2C[C@H](CC)[C@H](N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498853143 UEGKFTXOIBFETJ-DKYWCIHHSA-N 443.552 0.914 30 10 ICEE C#CCSCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1507758618 QQWMOLINOLCBFM-OAQYLSRUSA-N 444.561 0.953 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1540866910 FHNUHDSRELFTEW-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1558102395 IWHNRVHXDWUITR-OAHLLOKOSA-N 438.502 0.986 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1588050805 VEJJNGGUCOEHDM-SHPPYHEDSA-N 446.533 0.292 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588050892 XDCZVKAMXRUCED-KRWDZBQOSA-N 445.549 0.084 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC2)CC1 1588891826 UHVBBERQLNHXKF-VGSWGCGISA-N 431.537 0.933 30 10 ICEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 1611084037 AQCALYPZUOXOCT-WDSOQIARSA-N 437.518 0.914 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)CC1 1632960192 CMNGSLVORWTYPA-UHFFFAOYSA-N 438.513 0.954 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1642965688 JLTFRGFPVITPIC-HXPMCKFVSA-N 434.474 0.424 30 10 ICEE C[C@@](Cn1cccn1)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(N)=O 1655844956 WBWYYJINNDQGIW-NQIIRXRSSA-N 427.484 0.265 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C[C@@H]12 1681287319 HBUTZRWZNICXBP-KSZLIROESA-N 429.502 0.912 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1690464817 KXQVTUJRKNBNFD-HOTGVXAUSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690669678 LZSRTTVRINHHDU-JKSUJKDBSA-N 431.541 0.520 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690675159 QKFZXRCVYHORNN-CQSZACIVSA-N 445.549 0.534 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705572026 PAQVKPGGYWFHEP-AWEZNQCLSA-N 437.488 0.935 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1705578091 GBHPUDKALBOPDW-UHFFFAOYSA-N 431.456 0.942 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1705633453 RHEOHFKXNYECQG-MHORFTMASA-N 438.598 0.847 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1705824962 FQLGFNPPIDOIDO-OAHLLOKOSA-N 428.559 0.540 30 10 ICEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722340202 QNWSPCBKLCPOFF-MRXNPFEDSA-N 438.488 0.426 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1740941944 XGEGRAJDBKKCCM-CVEARBPZSA-N 446.595 0.644 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CCO1 1748206834 GWPFIRQYUWQKRI-RBUKOAKNSA-N 440.504 0.964 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1748672057 PWYMVYFFCWGIII-BZSNNMDCSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748805517 TUWBPJYVBHQDSN-DZGCQCFKSA-N 441.535 0.156 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748824734 SGHDFXRXEGAUHA-CLWJZODNSA-N 440.566 0.790 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1749039074 PMFTWBCATYUEHM-INIZCTEOSA-N 427.596 0.315 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749187475 MTKANEDCABICIH-HZPDHXFCSA-N 438.554 0.436 30 10 ICEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760154303 CKRFLMLAEWZOGF-UHFFFAOYSA-N 430.553 0.788 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760189351 ICFJEICIXQELAR-YRISNDGFSA-N 445.545 0.431 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1762689917 ACGJSMSBWRZGRV-CQSZACIVSA-N 431.522 0.375 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1769418769 CZZYGTTYMHEJOR-INIZCTEOSA-N 432.506 0.707 30 10 ICEE CCCn1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849644429 APAWPAHTEQOOCU-UHFFFAOYSA-N 435.488 0.678 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1858335426 MASZZAPULPSQGN-ZDUSSCGKSA-N 447.498 0.882 30 10 ICEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 1867645975 HBTLKXMOYHPOBD-KRWDZBQOSA-N 434.408 0.787 30 10 ICEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255831985 FWAOQJRUWIYARU-KRWDZBQOSA-N 425.342 0.913 30 10 ICEE COc1cc2c(cc1S(=O)(=O)N1CCN(c3cccc(C#N)n3)CC1)OCC(=O)N2 429887185 DIUFNKVODFMQQG-UHFFFAOYSA-N 429.458 0.804 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 464959243 KGJCUYTVCQPMKH-KRWDZBQOSA-N 440.552 0.513 30 10 ICEE N#Cc1cccnc1N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 468719422 IIXMDAAWYXKGIH-UHFFFAOYSA-N 426.502 0.545 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 508914977 VNUUGWNKNQLGSX-HNNXBMFYSA-N 443.595 0.899 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 514306635 MLUZTXDHOBPSGF-QGZVFWFLSA-N 445.516 0.884 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 524465038 FRUZPJSGVILKJK-UHFFFAOYSA-N 448.612 0.340 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2)c1=O 729673485 RUBOYJXRBBDWBW-UHFFFAOYSA-N 434.514 0.966 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 735112174 FWHJMMXYYPZHKS-LJQANCHMSA-N 446.577 0.504 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C[C@H]3CCCO3)c2=O)c1 763436471 SSRHMCMTEVCZHB-QGZVFWFLSA-N 438.509 0.840 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 790105696 AILMRSXLOWKWTK-UHFFFAOYSA-N 429.502 0.915 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 918610728 RATLNZJGYWEXRJ-LUZVNMCISA-N 445.501 0.549 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCS(=O)(=O)CC1 1147896581 DDNSMSGNESORLT-CQSZACIVSA-N 428.536 0.046 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 1175514723 FXFOHOPXWGDNFT-GFCCVEGCSA-N 448.314 0.967 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)C2CC2)CC1 1286485557 PUAIJEAYYOGDOM-UHFFFAOYSA-N 441.580 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cnnn2)CC1 1286490097 LHSUQICMCFUSOB-UHFFFAOYSA-N 449.519 0.996 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286783323 JWIOVSYOAUXTIV-OAHLLOKOSA-N 449.533 0.888 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286789146 PJKVAEPHRXHJQH-UHFFFAOYSA-N 433.538 0.084 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(=O)(=O)CC 1300446419 KPPGIQNSHAQWBN-UHFFFAOYSA-N 429.510 0.320 30 10 ICEE CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1316384824 BQGMXVVVWBPAGF-RDBSUJKOSA-N 430.556 0.091 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359300283 XYHYCXCBPMTFAP-OAHLLOKOSA-N 440.570 0.382 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1359332783 HBNNYMXBSLYRRS-MAUKXSAKSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1359335035 YFUOJPVVMGZYRM-JKSUJKDBSA-N 425.555 0.863 30 10 ICEE C=CCN(C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1442037573 XTQYIGIHTAXCSH-HIFRSBDPSA-N 436.939 0.181 30 10 ICEE Cc1[nH]nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1I 1452528373 YMOIGWPJLLFENS-UHFFFAOYSA-N 445.242 1.000 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1507710997 NAWVZLCLILGPJQ-GOSISDBHSA-N 445.545 0.608 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508090106 LXHVEOAXNHIOAI-KBPBESRZSA-N 444.458 0.979 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1cccc(O)c1 1539148116 IHOINDHMARVVSG-CQSZACIVSA-N 434.522 0.483 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1539200493 IWTQYOPUJCCDFZ-IRXDYDNUSA-N 437.566 0.956 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540868092 RNFAVGKCCPZUNF-UHFFFAOYSA-N 438.467 0.973 30 10 ICEE C#CCn1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cn1 1556465732 UNDHGZIQUWVHCZ-INIZCTEOSA-N 428.470 0.770 30 10 ICEE CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCOCC1 1584694703 ZOCBYCIDCOHGEK-SFHVURJKSA-N 436.534 0.882 30 10 ICEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1611054219 IMHMLGCUCYTBRO-HZPDHXFCSA-N 442.542 0.155 30 10 ICEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1 1611485292 NUSPHSPKQCUPTK-LJQANCHMSA-N 425.507 0.725 30 10 ICEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1612598692 VITAECXTBLRJEA-INIZCTEOSA-N 426.456 0.912 30 10 ICEE Cc1nn(C)c(N2CCN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CC2)c1C#N 1617285822 YHODTHANSDFCKZ-UHFFFAOYSA-N 429.447 0.201 30 10 ICEE COCCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1619812686 BXIIRCRWIHGPLH-JKSUJKDBSA-N 442.542 0.156 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)CC1 1632624208 PFSNRJBWGIPJQL-UHFFFAOYSA-N 449.577 0.994 30 10 ICEE C#CC1(O)CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1682076827 SCNFNIRAUWVPAM-CQSZACIVSA-N 442.335 0.992 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1689853576 VZQNXTSHTXIHJG-JKSUJKDBSA-N 425.555 0.764 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1690019368 GVCVWRIQZOWIGN-LJQANCHMSA-N 439.541 0.912 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCn2cnnn2)CC1 1690150897 ZTFGECXPYLSLDB-UHFFFAOYSA-N 439.549 0.973 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690670596 FMONCUKJACLKQQ-SJORKVTESA-N 426.525 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690715025 BDKUOBCXJJEIFQ-MRXNPFEDSA-N 426.587 0.603 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705567702 ZQGGTIRTLYFGQM-KGLIPLIRSA-N 445.492 0.528 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705895019 QZBBRAOXUAASRG-UHFFFAOYSA-N 437.508 0.312 30 10 ICEE C=CCNC(=O)Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909019 JYPDWPNOUSEONA-GASCZTMLSA-N 447.540 0.677 30 10 ICEE COCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712364003 QFASUKPZUZPUOC-GOEBONIOSA-N 425.559 0.491 30 10 ICEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1712885877 BFSHBSHIOKRILV-HOTGVXAUSA-N 443.439 0.713 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCOCCS(C)(=O)=O)CC1 1722439911 UICDJDTUULRUCL-UHFFFAOYSA-N 437.591 0.747 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2CCS(=O)(=O)CC2)c1 1731180033 FHOKPOHZHWFVJW-UHFFFAOYSA-N 449.558 0.876 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740955491 VXTUAGBEYYJQFV-UHFFFAOYSA-N 441.536 0.514 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1748639330 FUPJVXZUNPDUSN-CVEARBPZSA-N 447.565 0.626 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1NC(=O)CC1(C)C 1751208611 MMQQDTFYFDKJPM-HIFRSBDPSA-N 437.570 0.933 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760157041 BPTJLUQHLSNMEI-UHFFFAOYSA-N 428.537 0.889 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760187662 KVMSDWLBSUGAJL-IRXDYDNUSA-N 448.593 0.730 30 10 ICEE C#CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760286646 QHSGWVPLUXJGIW-GOSISDBHSA-N 428.580 0.920 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760312670 BZZXIKBRQCYGBD-IKGGRYGDSA-N 431.541 0.954 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1760321982 MNFKVZREVKUOIP-YVSFHVDLSA-N 439.582 0.980 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760346018 DQHAFRZZXSKUMM-HNNXBMFYSA-N 445.549 0.577 30 10 ICEE CCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764898776 HNZOGCANBAVVLB-HNENSFHCSA-N 439.476 0.922 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1769241689 CPBVPYAHSUNTEY-UTKZUKDTSA-N 426.477 0.573 30 10 ICEE Cc1nn(CC(=O)N2CCC(N3CCC(C#N)CC3)CC2)c(C)c1S(=O)(=O)N(C)C 1850453645 VVOZYRYMGWLCCQ-UHFFFAOYSA-N 436.582 0.977 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)C(C)(C)C2=O)CC1=O 1854771590 GTMKRVWLZWJEAY-CQSZACIVSA-N 437.493 0.998 30 10 ICEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711813 UEOGFWMSPBMPBR-UHFFFAOYSA-N 447.503 0.945 30 10 ICEE Cn1nc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255623567 OUVQYZLGVXVJQG-UONOGXRCSA-N 436.318 0.741 30 10 ICEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267537113 OGXXQLOGHWNSAG-GHMZBOCLSA-N 445.251 0.643 30 10 ICEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(S(C)(=O)=O)ccc21 44360730 KRNKLRSDNAXVQH-IAFNSTAXSA-N 441.556 0.591 30 10 ICEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)cc1 96353725 AOLVRRZRKJLNPU-UHFFFAOYSA-N 430.450 0.498 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489017068 NTKKWSUFFQEKRD-UHFFFAOYSA-N 436.515 0.966 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505337169 ZFRCXDWQPGSYNW-SFHVURJKSA-N 438.488 0.210 30 10 ICEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1S(=O)(=O)NC1CC1 741095405 CDZRHTHVELNFLA-KRWDZBQOSA-N 445.545 0.881 30 10 ICEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(S(C)(=O)=O)c1 753559912 RIEYOICRSOFIPJ-MRXNPFEDSA-N 448.501 0.404 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc(F)c2I)C1=O 1130960841 YXOUJGWLJPTNNF-UHFFFAOYSA-N 432.149 0.741 30 10 ICEE O=C1CC(c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC(=O)N1 1141288540 UXVDMQZDJZIMEC-UHFFFAOYSA-N 426.454 0.884 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)CC1 1252516468 VSLGWPCIULZWNK-UHFFFAOYSA-N 430.433 0.345 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1286796408 RSRLCWKSEARVRI-ZBFHGGJFSA-N 448.549 0.813 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1288305332 NVWOOMCZDZGEFK-MSOLQXFVSA-N 444.533 0.700 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)F)CC1 1300729292 UKUKZTMVMJCACR-UHFFFAOYSA-N 438.479 0.648 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301223511 WZXPYBBOBOIKCU-OAHLLOKOSA-N 431.584 0.618 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1Cc1ccc(C#N)o1 1303864066 YGRAWZJMZNLQAV-LBPRGKRZSA-N 433.494 0.212 30 10 ICEE CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)CC1 1303941461 BHMCGXJVYGMLSN-MRXNPFEDSA-N 440.570 0.904 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359123850 SGOXECFUYFVYNK-MJGOQNOKSA-N 429.569 0.965 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)s1 1452866809 OCZOOVNRDPIKDT-UHFFFAOYSA-N 447.535 0.858 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1464843785 GKAZBQMQOWOMPJ-UHFFFAOYSA-N 446.573 0.443 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507573452 HLZUQCSGFHMCHD-MRXNPFEDSA-N 445.549 0.659 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507640820 WPLPHNULDWHEMA-MRXNPFEDSA-N 435.550 0.332 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1507652144 DRUVSGLOXCDQNK-FQEVSTJZSA-N 446.621 0.527 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1507672391 ZITWZPARUHIGRC-IAGOWNOFSA-N 437.591 0.970 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1508070691 BFVLKRJBVLJPLE-UHFFFAOYSA-N 437.455 0.309 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539216476 SNVROGPPVPNWLU-DLBZAZTESA-N 445.549 0.083 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1588083901 LXBSPUTZVGQPPC-QGZVFWFLSA-N 434.566 0.754 30 10 ICEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1594992971 WNUAXMCRTINJMP-UHFFFAOYSA-N 428.584 0.401 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1615938248 CGRPGXDAVXCRFE-UHFFFAOYSA-N 434.508 0.252 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617371139 KUAMTYIKIVDZSR-SFHVURJKSA-N 444.565 0.846 30 10 ICEE COc1cc(C#N)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1622231196 DLZDXHGNRKICJR-ZDUSSCGKSA-N 430.504 0.696 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 1623301724 KJEYQAZDLWXIEE-SFHVURJKSA-N 439.578 0.968 30 10 ICEE C=CCNC(=O)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1632773161 IOPJRDXUEQVORC-FQEVSTJZSA-N 427.498 0.753 30 10 ICEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1640217886 ACLGBBJYLWFZSN-SFHVURJKSA-N 435.550 0.429 30 10 ICEE N#Cc1cn(CCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c(=O)nc1O 1644447799 WJVRYBVVYGLIFG-QFIPXVFZSA-N 437.456 0.241 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)cc3=O)CC2)cc1 1656674626 BEEWQKACYOBOQO-UHFFFAOYSA-N 431.474 0.047 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C[C@H](O)CC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1658215249 FVNRRURHEXGDBB-WOJBJXKFSA-N 444.580 0.913 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 1684992411 HLCWIAILAVBCON-UHFFFAOYSA-N 425.458 0.499 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1690643579 IQHVGUXFUSJOBN-INIZCTEOSA-N 430.534 0.792 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705647739 JESGZWSNCIPXET-GBESFXJTSA-N 431.537 0.678 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1705651965 MEOFEPUJXJHNDX-UHFFFAOYSA-N 443.533 0.587 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705938020 LAKHGOHNMSJEBT-ZIAGYGMSSA-N 439.494 0.115 30 10 ICEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)c1=O 1710194046 BGMNOJXBOMLPFC-KSZLIROESA-N 428.493 0.961 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712693085 JJTOOJNLGSUNDX-ZFDMEJTGSA-N 434.522 0.695 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1712711617 RUHSOXGUGUZISH-KRWDZBQOSA-N 441.521 0.799 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCOCC1 1722389887 NLKSBONXHORHNZ-KRWDZBQOSA-N 437.566 0.794 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1722399364 NZIFLCLEQOKVFZ-UHFFFAOYSA-N 427.530 0.667 30 10 ICEE C#CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722463850 OCCHKJBRCRWNNC-MAUKXSAKSA-N 428.580 0.920 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1722628955 DGUBVPMNFKDDJZ-QGZVFWFLSA-N 438.554 0.944 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1730629162 FDPTVFYFHIEKFJ-HXUWFJFHSA-N 448.549 0.686 30 10 ICEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1743354274 AUHBYKSEWXCCPC-HNNXBMFYSA-N 431.518 0.982 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1748651972 VAYIMJBNZSZWJA-GOEBONIOSA-N 430.534 0.932 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1748814828 JSVBYSIESBRGND-SJORKVTESA-N 426.539 0.809 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749650912 JGMPJNOTSCKEAH-QVKFZJNVSA-N 441.492 0.612 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749651077 NADACOKPSKCFLH-CQSZACIVSA-N 427.465 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749730647 MBEHJSDKXJQOSU-GOEBONIOSA-N 431.522 0.393 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760099694 KGJKTWBDCOMMJS-MDZRGWNJSA-N 425.555 0.812 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760379518 WNVDAILTNQJFHC-INIZCTEOSA-N 435.916 0.920 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1760521836 FGABTTBBJIHFBN-HZPDHXFCSA-N 441.554 0.114 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760677030 HIODZUKEBCFVKE-LJQANCHMSA-N 425.493 0.684 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255626778 KKKNRYWRAUZSJL-KBPBESRZSA-N 436.318 0.809 30 10 ICEE CCO[C@@H]1C[C@](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 444749293 VCEBRUKPLKWOHW-IERDGZPVSA-N 433.509 0.840 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 516388913 YPXGMAORHKSSIO-SFHVURJKSA-N 444.557 0.851 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)C1=O 550618426 MTPVKVMLLGJQOH-ROUUACIJSA-N 425.489 0.880 30 10 ICEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)n1 551501308 GXKRJMRGYVOWTJ-SFHVURJKSA-N 448.487 1.514 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)n1 555318456 BSCCSROUFCFQOE-LIRRHRJNSA-N 441.463 1.505 30 10 ICEE COC(=O)CN(CC#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 573295774 KMMODLDWYLGDFW-QGYXVZHVSA-N 433.464 0.991 30 10 ICEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732648249 BHUVBWGFRMIOLK-KRWDZBQOSA-N 447.561 0.586 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1CCS(=O)(=O)C1 774023968 HOVYYDXYDTUQBL-AWEZNQCLSA-N 442.563 0.657 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 915874978 IUCTVOOHKQVFIK-KQWNVCNZSA-N 443.489 0.582 30 10 ICEE C=CCOC[C@H](NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1139175485 GJFKHBMDVODNQY-LPHOPBHVSA-N 426.491 0.302 30 10 ICEE Cn1c(=O)[nH]c(NC[C@@H](O)COc2ccc(I)cc2)c(C#N)c1=O 1185241024 DEAGSMKFNPAAOK-SNVBAGLBSA-N 442.213 0.402 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1286408846 FVDJXDNFJZMGTC-QGZVFWFLSA-N 426.502 0.655 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1286466878 KQWQXNGTZTWIBH-MRXNPFEDSA-N 439.563 0.807 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286821961 DWWJSDZXFHGVLQ-UHFFFAOYSA-N 436.538 0.352 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CCO1 1286941447 NAGUUKKITDCPRE-IBGZPJMESA-N 428.493 0.557 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC(C)C)C1 1301496855 ITTPHOWTDGQGSJ-OAHLLOKOSA-N 446.508 0.938 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358933581 YEFUVHGBCBIKTA-SFHVURJKSA-N 427.553 0.557 30 10 ICEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 1358933745 CYKCDOHBCROLDZ-UHFFFAOYSA-N 436.563 0.765 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962043 JDARJBMZAPRYFR-ZWKOTPCHSA-N 448.593 0.732 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1358996281 ZBSRKHOUGHQTAY-UHFFFAOYSA-N 427.530 0.667 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnnn2CC2CC2)CC1 1359027946 BGUPEZVLRLWRRC-UHFFFAOYSA-N 440.556 0.397 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(CC#C)CCCN2C(=O)OC(C)(C)C)CC1 1455115128 MLQAAMNJJIABEI-HXUWFJFHSA-N 438.550 0.391 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 1464293266 WEXNKDQEYSFDFC-DFOAXYEYSA-N 437.518 0.631 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)n(-c2ccccc2)c1C 1473822574 XPUPNEYZWHLTCU-KRWDZBQOSA-N 428.518 0.739 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507564532 RPRLZVCXSBJSJG-QFBILLFUSA-N 440.591 0.999 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1507712458 YXGNONPRQDGVLN-UHFFFAOYSA-N 433.534 0.290 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508084490 CFRBVVQTUAGBFU-IIBYNOLFSA-N 428.468 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508137921 TUKYYNMANLQIDN-HNNXBMFYSA-N 433.538 0.914 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CCO1 1521128636 FVUKFIKVBMNERO-OAHLLOKOSA-N 431.884 0.971 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1540901004 PSUDCFUFSLNSEB-UHFFFAOYSA-N 448.549 0.672 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1554394213 FEXOJAFRNZMICN-AWEZNQCLSA-N 434.522 0.592 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CCO1 1554444627 QVJMNFANSHSPAX-GOSISDBHSA-N 428.493 0.821 30 10 ICEE CCn1c(CCC(=O)N[C@@H](C#N)CO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1556607125 AWMAJOFQLSYPFA-AWEZNQCLSA-N 435.506 0.010 30 10 ICEE CCOC(=O)COCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1556657018 WGOZBEXFZODVHC-OAHLLOKOSA-N 425.507 0.836 30 10 ICEE N#Cc1cc(F)c(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1Br 1561571396 GUTPRGRLMGPJFH-GFCCVEGCSA-N 427.273 0.288 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 1588849078 XYTYMIFRJPOEBD-UHFFFAOYSA-N 436.969 0.827 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1594813158 PNVCZQIZEXXMJH-YESZJQIVSA-N 441.554 0.571 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 1594963923 ZVBBQCCCFPHFFQ-AWEZNQCLSA-N 447.583 0.201 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1595991961 PEJZGZSQUSSKRH-JKSUJKDBSA-N 446.533 0.998 30 10 ICEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1614978329 HUSWFYZTOZLTNW-IAGOWNOFSA-N 426.477 0.703 30 10 ICEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615625919 SUFNNGLIFXRJAW-HOTGVXAUSA-N 426.543 0.572 30 10 ICEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 1646096152 RKMNZKAONHGBKI-JKSUJKDBSA-N 444.517 0.522 30 10 ICEE CC(=O)N[C@@H](CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(N)=O 1648126040 YWTLALWNGBZWQI-PRJMDXOYSA-N 425.276 0.996 30 10 ICEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1649659266 BYMNQKIPHHDANJ-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c(Cl)cc21 1664576431 MMAJZOOUBAWNDH-SUMWQHHRSA-N 443.934 0.808 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690723443 RRRKSHZWZQZCFE-UHFFFAOYSA-N 431.584 0.664 30 10 ICEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722354767 YILHDSIMBBQIQM-MRXNPFEDSA-N 427.534 0.868 30 10 ICEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1731186801 GVYLXEANTFNMQM-GHTZIAJQSA-N 445.545 0.732 30 10 ICEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740592690 FIMKILSZHNHHNN-UHFFFAOYSA-N 437.548 0.658 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740615758 KQORPOYZCPJGBV-KURKYZTESA-N 449.577 0.956 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1740626880 NSXWDAOACOJRIN-HOTGVXAUSA-N 426.564 0.773 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740627327 ZUHAVPZXPLBZJF-KRWDZBQOSA-N 428.518 0.193 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760190181 TWDXRYGIWPMYRM-QGZVFWFLSA-N 428.522 0.510 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)CC1 1760256462 XLCXPCMCLPLQBG-UHFFFAOYSA-N 447.521 0.500 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN3CCOCC3)CC2)cc1 1852813850 XXIQLTWFVBWJOL-UHFFFAOYSA-N 435.546 0.548 30 10 ICEE C=C(C)CN1CCN(C(=O)c2nc(S(C)(=O)=O)ncc2Br)C(=O)[C@@H]1C 1854735371 HIXYHDFFWMDQED-JTQLQIEISA-N 431.312 0.892 30 10 ICEE Cc1ccc(C(=O)NCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890259709 LGWQRLOYDLYZPN-UHFFFAOYSA-N 426.561 0.983 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255877481 YVMSLNHVUCKRHU-UONOGXRCSA-N 434.302 0.486 30 10 ICEE C[C@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415623 YRYRKXWAXKVEIS-OIBJUYFYSA-N 425.721 0.813 30 10 ICEE C#CCN1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286046785 WFRPHTIBZOSTNZ-GOSISDBHSA-N 437.518 0.471 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 72443797 JPRSGDNZWRDKAF-KGLIPLIRSA-N 437.416 0.604 30 10 ICEE CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCS(=O)(=O)C1 110093602 CEPJJJQHFNMWAP-UWJYYQICSA-N 446.529 0.997 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 110365423 FNRZAMFCMYEQEK-IBGZPJMESA-N 443.504 0.954 30 10 ICEE CC1(C)O[C@H](C=O)[C@H]([C@H](O)[C@H](O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)O1 255968598 DCBBUGKPMCTVKE-FGAYUDPNSA-N 432.466 0.214 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 524495534 OVXUHCZPMRVNQS-UHFFFAOYSA-N 442.608 0.824 30 10 ICEE Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 569046282 URPVDAAKDZYECS-UHFFFAOYSA-N 448.426 0.699 30 10 ICEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NCc3ccc(C#N)cc3F)no2)cn1 586863021 HGGOFLLBNZZDJG-INIZCTEOSA-N 439.407 0.697 30 10 ICEE CN1CCN(C(=O)CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 609431482 ZSQXSPQXEMJZCS-UHFFFAOYSA-N 446.573 0.876 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 619510164 WJVDFCBGBYSRIX-MOPGFXCFSA-N 447.561 0.270 30 10 ICEE N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910271 NZODHNQLIQJAHW-AEFFLSMTSA-N 449.504 0.573 30 10 ICEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 768720836 IXBQRZVWUJHNIQ-INIZCTEOSA-N 442.501 0.413 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 803845831 NEMOOZDKDCSZTJ-UHFFFAOYSA-N 444.469 0.447 30 10 ICEE C=CCOC[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 1155779378 LBLPBMVTFYZYRS-RKQHYHRCSA-N 432.395 0.832 30 10 ICEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1213771312 VUOSLMCPZRFVTE-UHFFFAOYSA-N 430.548 0.799 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)CC1 1286480626 NYVHNENSYRYFBY-JKSUJKDBSA-N 442.611 0.118 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)C1 1286811106 ZRVMGBZNFVDJFL-QWHCGFSZSA-N 439.460 0.955 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC(=O)N1 1288154320 DSKHMZONOMKXHA-MRXNPFEDSA-N 437.508 0.288 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1300465027 JMMRQDXNXCYDDW-MSOLQXFVSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300501725 NEBRZHFPOBOWEU-MSOLQXFVSA-N 433.582 0.717 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300501731 NEBRZHFPOBOWEU-ZWKOTPCHSA-N 433.582 0.717 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)CC1 1301589785 WZPZIFOGTGGKRL-OAHLLOKOSA-N 427.527 0.661 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1314136430 CWIRMVMDNHNENV-BEFAXECRSA-N 439.538 0.484 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1316567069 FRKRQJBEUACJJO-VXPUYCOJSA-N 443.508 0.136 30 10 ICEE C#CCN(C(=O)c1cccc(NC(=O)CSc2nncn2C)c1)[C@@H]1CCS(=O)(=O)C1 1323905762 PMBKYLLGTASSPV-MRXNPFEDSA-N 447.542 0.808 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359038173 MNVSLLLPZSWJAG-HXUWFJFHSA-N 443.596 0.513 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359049606 SMKWVKIYFYXJLS-YNEHKIRRSA-N 429.524 0.369 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCc3ccccn3)c2)CC1 1467873728 IUGWWCRKWPLDGD-UHFFFAOYSA-N 443.529 0.955 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1478900797 FGGAQGIAUUAZJA-UHFFFAOYSA-N 437.508 0.063 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 1539968509 ZYGDQRXSPCFMOF-GJZGRUSLSA-N 426.543 0.279 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540053050 ACNITUXHLDYUKB-SFHVURJKSA-N 440.547 0.520 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1540876556 VDUGVIKLNKQUPJ-WMZOPIPTSA-N 431.585 0.867 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595577468 SWOMTQNGZDWHGI-SJLPKXTDSA-N 435.488 0.746 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595664696 JCCCZWOPTFENRH-HOTGVXAUSA-N 440.570 0.479 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)CC1 1632887622 RMGDFXMPGSUMKN-QGZVFWFLSA-N 436.534 0.722 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC2)C1 1635696702 AWXLXTWYCWOZAW-KSSFIOAISA-N 439.534 0.535 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1636512612 MSMWNCHEFVXEJQ-IRWQIABSSA-N 443.497 0.359 30 10 ICEE Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1636738595 GOWDPQRNZREQAK-GFCCVEGCSA-N 435.278 0.859 30 10 ICEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1640186737 QATQEKDTTCDEHC-GDBMZVCRSA-N 435.502 0.242 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689988749 VUQWTFIGWDBYLZ-INIZCTEOSA-N 433.538 0.078 30 10 ICEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705738432 XUECDLPSDHFDRQ-UHFFFAOYSA-N 443.556 0.939 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705781072 OUPZJLLVEOAYMO-ZFWWWQNUSA-N 431.584 0.725 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722371299 UUYRHHTVJDCIIQ-ROUUACIJSA-N 440.527 0.835 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722699305 FZEGBJWIZICNKU-HNNXBMFYSA-N 448.474 0.791 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1730923718 DDXCBXXDOIONIX-UHFFFAOYSA-N 448.549 0.951 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCOCC(F)F)C1 1731012250 CWMGOGPDNNOUPE-AWEZNQCLSA-N 448.496 0.633 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CCOC)CC1 1740690194 PDZSUBHOCUSHAS-NRFANRHFSA-N 427.509 0.468 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1749457340 JZDNAUVMZKWWQR-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1749666699 PZRXHEWYVMNQGC-IYBDPMFKSA-N 439.476 0.746 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1760295178 OSCYOEJMNCPJJA-DNVCBOLYSA-N 435.550 0.454 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558680 XAGOADJMZAJAGV-JTDSTZFVSA-N 442.538 0.481 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cccc(C(F)(F)F)c3)C(=O)C2)C1 1856830961 VQOXWDKRUVONHY-OAHLLOKOSA-N 444.435 0.917 30 10 ICEE C=CCC1(NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903070415 VCNXRMGUWMWGMW-UHFFFAOYSA-N 429.514 0.916 30 10 ICEE Cn1nc(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 2267118588 ZTVDBTRLGZKUID-ZSOGYDGISA-N 447.345 0.957 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N=c1[nH]cc(C#N)cc1C)NC(=O)OCc1ccccc1 2286037670 BWKLNMSOVKPSEO-MRXNPFEDSA-N 432.458 0.893 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@H]3CCCN(C(=O)[C@H](O)CO)C3)C3CC3)nc2)OC1(C)C 204876105 AJPAOYKZOMZSFC-MAUKXSAKSA-N 446.357 0.336 30 10 ICEE N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 539995435 CGLQGWIOSPHYBW-UHFFFAOYSA-N 431.474 0.449 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 555257862 ZGFPASXZQZKNKX-IRXDYDNUSA-N 441.554 0.573 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 577465106 JWPIRZTWRVRCOF-UHFFFAOYSA-N 433.493 0.453 30 10 ICEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615457044 VEGIBMKNXYWILS-UHFFFAOYSA-N 434.543 0.802 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749856910 PCRMLUDDOPRMJP-MRXNPFEDSA-N 443.573 0.828 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 751924903 PJUJINWYBYOLMS-JYCAKGOGSA-N 434.566 0.127 30 10 ICEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C)[C@H]1CCS(=O)(=O)C1 809841565 OHCITZFSVMBKEY-HNNXBMFYSA-N 437.547 0.359 30 10 ICEE N#CCc1ccccc1S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1211575562 FPRIADYCUSAYDX-UHFFFAOYSA-N 440.469 0.892 30 10 ICEE N#C[C@H]1CN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CCN1Cc1ccccc1 1248595184 KRHLZFXFQWBALX-NRFANRHFSA-N 448.527 0.839 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286393576 QVDLXEVNPKEXAI-LJQANCHMSA-N 439.545 0.867 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1286430791 JSXDZZSNFDPLLZ-WOJBJXKFSA-N 447.605 1.000 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)CC1 1286821452 LKZCVSMZWLSLJE-UHFFFAOYSA-N 433.534 0.805 30 10 ICEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1291777576 IKYSDAQJGBFHFK-GOSISDBHSA-N 442.559 0.455 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300501727 NEBRZHFPOBOWEU-QZTJIDSGSA-N 433.582 0.717 30 10 ICEE CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315149766 GCOLJDMLVASPGI-GJZGRUSLSA-N 448.553 0.516 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1 1358876737 PJSJBWNRMFVPKW-KKSFZXQISA-N 446.577 0.720 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1358957754 ZTAARGNYQUBDOQ-APWZRJJASA-N 444.561 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)COC)CC1 1359040819 GZYAUGSQQFLQHS-LSDHHAIUSA-N 440.570 0.137 30 10 ICEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359457443 HYUQQQQBBKFKGK-HNNXBMFYSA-N 436.476 0.447 30 10 ICEE CC(C)(CNS(N)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1471666415 UZLHOBVDTNVTDT-UHFFFAOYSA-N 430.328 0.445 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NC(C)C 1505081140 ZHEKODNIHGDSKL-WDYCEAGBSA-N 431.541 0.703 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508083721 AXTGLHVEMJQCCW-UHFFFAOYSA-N 433.538 0.038 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1508139488 AXROJIAEGNXHTI-JKSUJKDBSA-N 449.537 0.141 30 10 ICEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1510698007 BUIGWUHFDPZKSG-DOTOQJQBSA-N 441.467 0.836 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539220031 GYNUMOHMNNPMID-PDOICOKGSA-N 438.550 0.339 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(N)=O)c1 1539239501 LZNBFKKMQLONGG-HNNXBMFYSA-N 428.518 0.303 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCCO 1539557202 MTFGGAUEUIHQGX-VQIMIIECSA-N 441.554 0.002 30 10 ICEE C#CC[C@H]1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)C1 1542599529 GLSQSWOTMFSSGJ-HNNXBMFYSA-N 433.509 0.573 30 10 ICEE C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)N1CCS(=O)(=O)CC1 1542850619 GOXMXUJHFYQFGZ-NSHDSACASA-N 428.308 0.625 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)cc2C1=O 1556761792 OFNQFLZGCZNRSL-UHFFFAOYSA-N 425.488 0.352 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1587989160 HOHQMSZVLUGVIH-OAHLLOKOSA-N 436.563 0.846 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1640748755 HBTTWPUWMDLYLR-GOEBONIOSA-N 425.532 0.683 30 10 ICEE Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1S(=O)(=O)NCC#N 1641669935 KIJOOCWBGCUGED-HXUWFJFHSA-N 436.534 0.143 30 10 ICEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1667571576 RHARSSPAFLZCGP-MRXNPFEDSA-N 436.534 0.813 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)CC1 1677685094 NWPYMUPDGAOIEU-UHFFFAOYSA-N 442.299 0.109 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1690019673 ORZJXKZBXVZUOQ-LJQANCHMSA-N 439.541 0.991 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690668162 VTRUUAXPZCIHGX-UHFFFAOYSA-N 427.509 0.651 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1690672442 RRXHLEMIBOFSBM-XHSDSOJGSA-N 440.570 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690723987 FTHPXXNUBCCKBY-ROUUACIJSA-N 441.598 0.930 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692534558 LRTCLCQHHUUNEO-OHTQGHCMSA-N 431.497 0.558 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1 1705588437 FLYPCCZAWSCUDO-HNNXBMFYSA-N 428.518 0.498 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1705737164 LFYBUUGMCOGFLM-JKSUJKDBSA-N 425.555 0.735 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705737232 MKXZWGFPHFCPFI-AEFFLSMTSA-N 434.566 0.949 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705937850 GSCARKFZMYFHKI-IAGOWNOFSA-N 447.565 0.455 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1712103361 ZWHCNXADQBBJGQ-RBUKOAKNSA-N 440.504 0.652 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1722381270 MPFQTRNHGSHYCE-LAUBAEHRSA-N 428.562 0.510 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1722704895 ZAOFOCWREXFXEW-LAUBAEHRSA-N 445.524 0.334 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740626306 WPRVEPVAVADNKV-GOSISDBHSA-N 449.577 0.844 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741198687 HMQAYYUFRUESGY-DVSFIDLUSA-N 443.552 0.914 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749022366 ISJBSHALMSMHPL-SUMWQHHRSA-N 426.568 0.114 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1768281871 WZVGHWICKWKHBN-KRWDZBQOSA-N 429.506 0.875 30 10 ICEE COc1cc(Cn2cccc(C(=O)NCC#CCN3CCOCC3)c2=O)cc(OC)c1 1889383886 VOWKGMPKKUCZRG-UHFFFAOYSA-N 425.485 0.979 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255595167 HEIGCFAZMLWYMG-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818650 NYXDEUVJZZPSCS-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32718194 LEPJHLVHOXJVMU-KRWDZBQOSA-N 443.529 0.989 30 10 ICEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NCCCN(C)S(C)(=O)=O)c2c1 441842112 CWPPXMOSRAKQDR-UHFFFAOYSA-N 436.490 0.900 30 10 ICEE CN(CC(=O)N1CCN(C(=O)CC#N)CC1)S(=O)(=O)c1ccc(Br)cc1 503628144 OZUDLGNKDBOFKX-UHFFFAOYSA-N 443.323 0.654 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 508938388 JIGGRWYQUYIXMC-QGZVFWFLSA-N 435.554 0.910 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O 522245758 WWUZJGRPQKYNIO-UHFFFAOYSA-N 442.516 0.850 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O 535856697 OATYBJBOUDIUDS-CZUORRHYSA-N 436.827 0.844 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 544031168 RCODHICEDJVCOW-YOEHRIQHSA-N 444.517 0.266 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 555268919 KGCFCPACEALNMB-MRXNPFEDSA-N 438.510 0.582 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 603798939 PTUXZCIHCWHQET-HNNXBMFYSA-N 440.481 0.779 30 10 ICEE N#CCCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 726783282 BTHZUPOWZXTKPT-UHFFFAOYSA-N 449.536 0.951 30 10 ICEE C#CCN(C(=O)CS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 729334515 RNLHMOKGIWFERN-CYBMUJFWSA-N 434.333 0.872 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746210529 SQOUMPWGBQEQCG-FMQUCBEESA-N 447.517 0.160 30 10 ICEE C#CCN1CCC(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CC1 754530670 WRLOHEWFESUBHS-GOSISDBHSA-N 426.565 0.295 30 10 ICEE COC(=O)CCN1CCC(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 788705714 YTPBHJSQESCYCB-UHFFFAOYSA-N 438.554 0.445 30 10 ICEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 804191427 YIRSAJMCQIOURR-AWEZNQCLSA-N 442.563 0.388 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286388575 RRUBOUXLPLSKPX-MRXNPFEDSA-N 441.517 0.757 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286776470 ZJQUJOGUSKYXNZ-HOTGVXAUSA-N 426.543 0.150 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1291279017 GWTBMKFIRDHHNU-OAHLLOKOSA-N 434.522 0.845 30 10 ICEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293581261 AFBCSGITRXFECI-BAEHRGANSA-N 429.481 0.371 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1295064092 BRTXNZAUCATTSM-UHFFFAOYSA-N 438.536 0.505 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301521061 ZBFJZJQVBHUMRI-QGZVFWFLSA-N 431.541 0.176 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1302438472 HHAJPSBTMPJQDI-WBVHZDCISA-N 449.558 0.875 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302985335 KDOMGWSPMOFYJW-FXDIGPMBSA-N 443.508 0.938 30 10 ICEE Cn1cnc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1Br 1304151060 GYGYUGGIPQIVLT-UHFFFAOYSA-N 426.296 0.691 30 10 ICEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305590475 RGALQUZNONNMJB-UHFFFAOYSA-N 429.458 0.366 30 10 ICEE NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)C1 1318923587 FRKYJNTVCKZTFH-MLSMKVKPSA-N 439.516 0.917 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCO[C@H]1C(=O)OC 1454854875 ZBYAFJQNKOEKME-UKPHBRMFSA-N 437.518 0.978 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508059462 VCGYBHRSAVLZIE-HUUCEWRRSA-N 433.538 0.764 30 10 ICEE C#CCN1CCC(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1537529144 KHRHYCYBLLQCEL-KRWDZBQOSA-N 427.567 0.872 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1539417064 XOIQQIICENUOHB-OAHLLOKOSA-N 443.595 0.593 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NCCC)CC1 1539847497 GIABRHNRGDXEFK-MRXNPFEDSA-N 440.570 0.684 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)n1 1543066491 DZCLGBIRSWWOSZ-IBGZPJMESA-N 428.541 0.715 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1588138281 BQEREFBNSKTNHY-KRWDZBQOSA-N 443.529 0.975 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595595497 WNPXARKEWHPNDP-HNNXBMFYSA-N 428.493 0.835 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1607586533 VWDUITINMGIMJM-JOUIHXNISA-N 435.424 0.871 30 10 ICEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 1641858462 OZQPRXYDJBWHKV-HXUWFJFHSA-N 447.557 0.844 30 10 ICEE CN(OCC(F)(F)F)C(=O)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682870759 AAFUKQQHEQLRAA-AWEZNQCLSA-N 427.383 0.911 30 10 ICEE COCCOCCN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1686341140 CZKFOTHOJPVSLQ-HXUWFJFHSA-N 429.521 0.649 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)n(C)c2=O)CC1 1690142441 OGEINLMAHNTZSP-UHFFFAOYSA-N 446.515 0.756 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[C@@H]1NC(=O)NC1=O 1690522742 MIWDHEMYJDNOHZ-ZDUSSCGKSA-N 446.537 0.849 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1690660660 MCAMATPBOCNLKJ-MRXNPFEDSA-N 434.541 0.753 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705565226 HEGOJGHYCKEIGI-YZCUQEPOSA-N 440.591 0.710 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1705831001 ZQEVVPVJPUETIL-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE CC(C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706307630 UYNVUEYWIVMPLY-ZFDMEJTGSA-N 436.538 0.941 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722353293 UYNNFBPTUPRVHB-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1740684330 NLEHQSAEMLVOAG-SFHVURJKSA-N 439.520 0.595 30 10 ICEE CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1748298208 CZQPWBVEVBJJAZ-LBPRGKRZSA-N 425.540 0.557 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1748791471 SZJFJOANXRMAHB-MIALQEHNSA-N 437.566 0.622 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749303033 DFZAYVUZFZMBJQ-CVEARBPZSA-N 443.595 0.618 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749669940 MKJPLSFZEIJDOB-ZIAGYGMSSA-N 431.522 0.874 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749732084 OZVOAQFPFZYDEA-OAHLLOKOSA-N 436.538 0.523 30 10 ICEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 1750384524 CXONEBHLIBFCEX-SFHVURJKSA-N 439.520 0.826 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1760495879 YZGGEPHSOFLMRY-QFBILLFUSA-N 441.554 0.595 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760555232 AJXGQJZAZDYQPL-HUUCEWRRSA-N 434.584 0.642 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCO 1761498724 INRJPAOZXOPRLI-GDBMZVCRSA-N 425.559 0.227 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1F 1761500185 GWPQGOZSVCYGQQ-FZMZJTMJSA-N 426.449 0.944 30 10 ICEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768520207 JQCKWJVINQWCOE-UHFFFAOYSA-N 435.492 0.848 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1770360769 RGPCGLNUQLIHHA-IBGZPJMESA-N 429.506 0.225 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1 2247882267 MHRKGSUDKIEEQL-UHFFFAOYSA-N 442.347 0.617 30 10 ICEE Cn1c(=O)c2[nH]c(Sc3nc(N/N=C/c4cccc([N+](=O)[O-])c4)n[nH]3)nc2n(C)c1=O 105375415 YONWHFVKKKPLAC-REZTVBANSA-N 442.421 0.584 30 10 ICEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 410119409 DGEWXKCRCXLDPR-OAHLLOKOSA-N 429.568 0.443 30 10 ICEE CC(C)OCCS(=O)(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 477432516 WPIZLLQQFBWCNX-MRXNPFEDSA-N 440.547 0.743 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481504894 XZBDFYXTMVSKIQ-ZDUSSCGKSA-N 448.526 0.722 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 486649995 JAVKZGFPXAWDMM-FQEVSTJZSA-N 429.496 0.801 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)c(OC)c(C)c3)c(=O)n2C)CC1 516830425 ZVNLZABVVGKCKX-UHFFFAOYSA-N 440.569 0.739 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 551475207 VVPQVORSTSCVFZ-INIZCTEOSA-N 437.543 0.606 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)[C@H]1CCS(=O)(=O)C1 729334067 HRIIMSAPLVDEBN-KRWDZBQOSA-N 433.511 0.567 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 751924649 NIVJNJYEGRPHOU-CZUORRHYSA-N 435.550 0.829 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 751932380 ZOZDWRFTKURCNF-WBMJQRKESA-N 449.533 0.549 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@H]1CCS(=O)(=O)C1 771296424 NUTVNEIXPNPXJY-INIZCTEOSA-N 426.516 0.207 30 10 ICEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 813983806 HXCAKYDVMRVUIR-ZDUSSCGKSA-N 426.501 0.673 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1136110160 ZYLBGIPUAMQYQU-FQEVSTJZSA-N 443.481 0.896 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc3nc[nH]c23)CC1 1152967707 NYTJGQWARUOUGR-UHFFFAOYSA-N 426.296 0.551 30 10 ICEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1192080294 KREGNDOCZPCEBC-SFHVURJKSA-N 448.545 0.807 30 10 ICEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1215512812 WUZKARVANQOBNL-UHFFFAOYSA-N 432.499 0.960 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286390733 BOEYNPILURDROP-BZUAXINKSA-N 444.579 0.089 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286964387 AHYGATHZFQONAC-IVZQSRNASA-N 436.520 0.854 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(CC(N)=O)C(=O)C1 1299185652 FLVPHNAHRUEOIE-LJQANCHMSA-N 441.488 0.549 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nncn2C)c1 1300330458 ANSMWTQOWPSQPJ-UHFFFAOYSA-N 435.492 0.649 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1300395661 APYFIINXKJQALZ-MRXNPFEDSA-N 427.457 0.720 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1300600928 CCRQHHXDRPRMTC-BBWFWOEESA-N 426.587 0.847 30 10 ICEE C#CCSCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1300777868 FSIQKPZNHWVLKD-JXXFODFXSA-N 438.550 0.657 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1301510079 SOYAROZZPGBPDW-UHFFFAOYSA-N 431.541 0.397 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 1303932991 DNMNCJSIJYBGST-KXBFYZLASA-N 436.538 0.169 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359126391 NWZGKDKTODOCKI-RDTXWAMCSA-N 426.543 0.197 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1360683790 GVQPXRPMTYLPPH-KEYYUXOJSA-N 429.522 0.051 30 10 ICEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1504693284 GMFAYBPNKIMRKB-OXJNMPFZSA-N 431.518 0.839 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1505134745 KUQGBCMJIQTBDI-UHFFFAOYSA-N 432.506 0.204 30 10 ICEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507559297 ZRMQPLKZRSXIRL-UHFFFAOYSA-N 444.503 0.956 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1518166453 IDFPTPCDBNTYRY-IERDGZPVSA-N 428.493 0.758 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1539177676 ATPKMIHIFUOLSL-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539201219 YRXRAIOLZXITPQ-OAHLLOKOSA-N 425.555 0.858 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540898332 HCDVRMPGQUCXLW-UHFFFAOYSA-N 425.540 0.894 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)C1 1541990393 FYWTZWMZVQLKGG-NRFANRHFSA-N 429.525 0.779 30 10 ICEE CN(C)C(=O)CN1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1560146428 LTHRALFPUIJMBW-SFHVURJKSA-N 432.594 0.553 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1589068964 GKANDWQHOMBCSK-BZUAXINKSA-N 437.591 0.794 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 1625436935 GRDLABJTIWXUBJ-KRWDZBQOSA-N 449.920 0.595 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)CC1 1644284708 CTYKIUFGBACJDD-UHFFFAOYSA-N 447.517 0.330 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689835078 FSPBRDWEXPFEAX-XOBRGWDASA-N 434.518 0.970 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690674910 JXBAALQPPPQKRA-QGZVFWFLSA-N 443.552 0.445 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690722495 LLSHIYCRUATCIM-HNNXBMFYSA-N 425.536 0.564 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(C)=O 1694790233 CANGHNFNYITNTD-GOSISDBHSA-N 425.493 0.970 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCCO1 1705552244 WOZXRGSYXFDYEO-IRXDYDNUSA-N 441.554 0.266 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(OC)CCOC2)CC1 1705647715 IUBXPQGFLGHFTK-AVRDEDQJSA-N 431.537 0.943 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1722476029 XCPXMRDLNXOJPJ-RLFYNMQTSA-N 426.564 0.607 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1722536623 GGTSFSHEFBZQCW-MRXNPFEDSA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1722729927 BKSGEGFGTSLUPU-UHFFFAOYSA-N 449.581 0.799 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)CCOC1 1728778524 HXZSNJJXFPMUMC-LJQANCHMSA-N 438.554 0.706 30 10 ICEE CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1729838380 HYCBPHKJQBUDEK-ZBFHGGJFSA-N 426.543 0.776 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1740657092 PFWVWYXHEGEQJT-HXUWFJFHSA-N 446.621 0.671 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1740685146 BKAZQARKNKRTGO-QGZVFWFLSA-N 448.505 0.210 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)CC1 1740700899 MPRCOZIVDGWQJI-JOCHJYFZSA-N 444.536 0.285 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1741730854 FSRATJQFCCXYTE-SCLBCKFNSA-N 428.440 0.429 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1748817070 DNBNWMGKKGYEAN-ROUUACIJSA-N 439.582 0.377 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 1749017019 SVPXPQFDOUKBNK-GAJHUEQPSA-N 438.532 0.770 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1760170565 IASAKNDICPYFDQ-INIZCTEOSA-N 449.515 0.756 30 10 ICEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760180168 ZHNRYVLKWKTTEQ-UHFFFAOYSA-N 434.518 0.875 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1760210373 RHUSKBHIKKVDRD-INIZCTEOSA-N 444.565 0.717 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1760526446 OQQUAVWNJJMSHN-KRWDZBQOSA-N 428.541 0.937 30 10 ICEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1760529845 HKZQHYGBBHEZQB-SFHVURJKSA-N 442.520 0.981 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)cc1 1760529874 HZHMBISJSCJFCX-ZBFHGGJFSA-N 448.549 0.813 30 10 ICEE CCn1c(=O)c2c(nc(C#Cc3ccc(OCC(=O)OC)c(OC)c3)n2C)n(CC)c1=O 1857624808 ZKISJHBBSIZEDH-UHFFFAOYSA-N 440.456 0.897 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255873166 IPILRAQGHCQBHT-ODXCJYRJSA-N 433.318 0.854 30 10 ICEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 427923973 IFLVJAMJCCQASK-UHFFFAOYSA-N 448.487 0.606 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)CC1 465967235 PSXAGGVYVVSZBW-HXUWFJFHSA-N 428.581 0.827 30 10 ICEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508471402 GJGSUWPFDBNEPN-UHFFFAOYSA-N 438.579 0.815 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525777998 DCONOOXYLPVTDY-UHFFFAOYSA-N 446.488 0.785 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 578673316 RWTIIQQIONVNMD-FQEVSTJZSA-N 427.549 0.850 30 10 ICEE CN(CCN1CCCS1(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611429872 ACGGNQWHIIDADU-IBGZPJMESA-N 437.541 0.502 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795546 MFKAQULYNKVJKT-MRXNPFEDSA-N 429.546 0.895 30 10 ICEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 747823537 HCRZGKXUNHWMOY-PSBWJHGTSA-N 440.456 0.705 30 10 ICEE O=C(O)CNC(=O)CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757471185 ODJZDUKBGYUPQV-UHFFFAOYSA-N 435.436 0.846 30 10 ICEE CS(=O)(=O)N1CC[C@@H](COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 801192354 UPZKLNPTMONFRR-CYBMUJFWSA-N 429.520 0.330 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 810646341 PUVZZIIVRYAQFC-NSHDSACASA-N 439.342 0.921 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3nn(C)c(C)c3C#N)ccc2F)CC1 1130388746 YAKARJDAUSDIGE-UHFFFAOYSA-N 448.480 0.844 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 1161810156 JXZUHCJTWHUUJJ-UHFFFAOYSA-N 436.578 0.677 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCOC2)n1 1286471422 MTJXNILQBJTWFE-QFIPXVFZSA-N 437.504 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC2)CC1 1286495343 YZSMXOMWWZKCIE-WBVHZDCISA-N 435.550 0.183 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc[nH]n1 1290312162 DBMVWNFYOZWPQL-QGZVFWFLSA-N 429.477 0.711 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1300479089 IDSWHQQGTNRXKR-DLBZAZTESA-N 449.577 0.860 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1300699880 IUVLLUZKIOATEJ-OTWHNJEPSA-N 433.578 0.917 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1301297626 RJGYPSYJGBYRAR-QAPCUYQASA-N 444.627 0.671 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301507191 ZATPVAJRVFETHO-QGZVFWFLSA-N 432.550 0.970 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1303867374 PKUBSIGIVXFNDE-RHSMWYFYSA-N 446.533 0.990 30 10 ICEE N#C[C@]12CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1308127570 DZMQVNMCPFLWBB-GHTZIAJQSA-N 430.530 0.409 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960310 BJEXPSWEJDECQB-ROUUACIJSA-N 446.577 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359291646 YTNLYZDAYJICTL-QGZVFWFLSA-N 442.524 0.227 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 1460875643 AKUIJUYVSMHQDK-UXHICEINSA-N 443.523 0.498 30 10 ICEE CCOC(=O)CON=C(C(=O)Nc1n[nH]cc1I)c1cc[nH]n1 1470333585 ZRSYTOMXTOBKAH-UHFFFAOYSA-N 432.178 0.660 30 10 ICEE C#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1473539666 MFCNGFKWRQMQKY-CQSZACIVSA-N 429.901 0.646 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1508091464 UQCNICJLVSCLRB-MSOLQXFVSA-N 447.584 0.859 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1508312159 BMJJWOSPLJIAQZ-SFHVURJKSA-N 445.549 0.861 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1539430069 GWAUCVQNLPUHBL-FGTMMUONSA-N 438.598 0.849 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1588790945 HZOMKLIYXSCPNP-UHFFFAOYSA-N 447.536 0.779 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589060298 QNACGZRYYYNFHB-QGZVFWFLSA-N 447.609 0.586 30 10 ICEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1593696840 ZLXZITYNLTUHDX-SFHVURJKSA-N 448.568 0.892 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1595789145 NUSNCIRQUMQBBI-UHFFFAOYSA-N 448.549 0.544 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1598568589 WNGVLSFTZDPFRN-YZVOILCLSA-N 427.523 0.799 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1CCN/C(O)=C1\N=CC=CC1=O 1608211412 CJTIXVDEMYJHAY-SXXBIRCQSA-N 433.538 0.884 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 1673974013 SHHGOSOPIUTCAX-UHFFFAOYSA-N 433.534 0.848 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1689993129 WGQZCUSVMWDGCK-KRWDZBQOSA-N 444.561 0.663 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2COCCO2)CC1 1690143909 GIIZFJXQDIXHKU-KRWDZBQOSA-N 425.493 0.506 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1690219451 FEGKFTYWCQXFKY-WDEREUQCSA-N 435.348 0.464 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690484800 DORIOJBBHORPQK-BEFAXECRSA-N 438.554 0.436 30 10 ICEE CC(C)(C)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691111023 XDMQRXWPACZYAC-ZDBRSUKYSA-N 429.525 0.623 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1696577760 ATLIFELFZYRQAF-QZTJIDSGSA-N 441.540 0.350 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1705481253 CCIDRDVVMZBGGL-AWEZNQCLSA-N 428.522 0.830 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705558680 FAMAQJPSAPAEGU-IAGOWNOFSA-N 433.534 0.834 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705566943 RZVDOFHXKGKZBB-AEFFLSMTSA-N 447.565 0.026 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705721187 OCWFLOWSVXWBAA-OCCSQVGLSA-N 439.542 0.231 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1705958923 NFKXCKMUTPPUKB-DZGCQCFKSA-N 449.537 0.706 30 10 ICEE CCN1CCN([C@H]2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)CC1 1710288787 UCQAVVSRKIWHCQ-SKQREZPOSA-N 428.541 0.329 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1OC 1712682241 AUGIHTXHMAPJGP-ZOPHGCEOSA-N 427.465 0.650 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722341879 NZDQHINJHCLKNC-FQEVSTJZSA-N 431.518 0.766 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1740628221 ONKOPHDQRZTWEB-UZLBHIALSA-N 435.550 0.452 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740696014 JSQWMONVEBLOKH-SFHVURJKSA-N 444.561 0.494 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nnnn2CC2CC2)CC1 1740702889 YSLSIIMGQRLGTQ-UHFFFAOYSA-N 425.541 0.986 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1740709105 ANPGMGVCHPWQGH-UHFFFAOYSA-N 434.566 0.612 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1744757596 VLUQNUDDQGDURD-KRWDZBQOSA-N 445.549 0.861 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748825180 WISLCFHITWXUSN-ARFHVFGLSA-N 442.563 0.191 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1749666150 ICQROICVFLJONQ-ZDUSSCGKSA-N 436.476 0.563 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)C1 1749710539 YFLHABMSGODOPF-ZDUSSCGKSA-N 438.510 0.336 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1760116961 LTHAYIYWIUULPD-HUUCEWRRSA-N 440.570 0.231 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCS(=O)(=O)C1 1760170515 GBBMLJFJVRXRHY-CQSZACIVSA-N 436.563 0.742 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760188270 JCXUNWCXTLPDOE-AWEZNQCLSA-N 435.506 0.669 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCN(C)C1 1761472990 HVMXCHAHZKPJJC-KSSFIOAISA-N 425.559 0.085 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1771365989 HKXICDOTTDIJNF-JKSUJKDBSA-N 446.489 0.870 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)n1 2255868042 JMNNIKOHJICUHU-LJQANCHMSA-N 439.322 0.120 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 27559925 YDRWJEVNAXVBPF-SFHVURJKSA-N 440.548 0.731 30 10 ICEE OC[C@@H]1O[C@H](n2c(NN=Cc3c[nH]c4ccccc34)nc3c(O)ncnc32)[C@@H](O)[C@@H]1O 254606841 PQLLPXFBPVTMJG-OGIUKLMXSA-N 425.405 0.071 30 10 ICEE N#CC1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN(Cc2ccccc2)CC1 482713703 VZQLINTWIOHJHE-OAQYLSRUSA-N 439.560 0.842 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)C1=O 679734441 KPZSUWCRIPKAGX-OAHLLOKOSA-N 434.474 0.396 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1F 729362568 DKPCNRQKVIXFJW-KRWDZBQOSA-N 440.541 0.963 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 803848670 URWINQPMGUQPML-LJQANCHMSA-N 436.424 0.621 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1194415916 CGIMLKFHZUCSNG-UHFFFAOYSA-N 436.538 0.873 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1251732197 WZYQJKGSYFPBIT-PMUMKWKESA-N 428.511 0.202 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC#C)CC1 1286322047 CFSVGGVZCITQEZ-GOSISDBHSA-N 434.566 0.170 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1286376124 FVUGFIDHMMPXKY-WIYYLYMNSA-N 447.561 0.978 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1286794213 ZSXHEXPYOPLYTQ-LPHOPBHVSA-N 442.524 0.421 30 10 ICEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1291832820 IZSGPHCXHMOAMQ-DNTCVELPSA-N 444.540 0.150 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1300492304 MRWBNMUKBCJHLZ-KXBFYZLASA-N 434.522 0.149 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501238 ICIKXFDYVYNAMH-IEBWSBKVSA-N 435.594 0.826 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300764532 XQIXNJOQSAMVFC-KBXCAEBGSA-N 439.563 0.578 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cn(C2COC2)nn1)[C@H]1CCS(=O)(=O)C1 1358957530 VRHBRNDCJDOFKZ-HOCLYGCPSA-N 433.538 0.629 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358967005 BGPXVQBIJKLVFA-SZMVWBNQSA-N 448.549 0.411 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1359327281 XHWKQJPMSPOKSA-UHFFFAOYSA-N 440.570 0.466 30 10 ICEE COC1(OC)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1O 1452106527 ATAOBLPTSAEDLN-DOTOQJQBSA-N 439.534 0.722 30 10 ICEE Cc1ccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1S(=O)(=O)NCC#N 1467891100 KJQAIRSUHCXQEW-MRXNPFEDSA-N 431.518 0.581 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1503276443 ARSOQDOBJRKBKY-UONOGXRCSA-N 432.572 0.105 30 10 ICEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507571157 RHOMZNNLBUIOAX-INIZCTEOSA-N 440.479 0.947 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)n1 1507716936 OYANCIUMPCMXMA-MRXNPFEDSA-N 448.549 0.188 30 10 ICEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507937012 KJDDFNIRMRZEIL-BBWFWOEESA-N 432.525 0.505 30 10 ICEE C#CCN(c1nnc(CC)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539219251 HOZZRZXFPWKFQF-IBGZPJMESA-N 436.626 0.885 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539498301 RTTGOVBNQYJHMC-GOEBONIOSA-N 437.595 0.431 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1539731144 YWYHRGUBLUCRQA-CVEARBPZSA-N 428.559 0.002 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1540865250 ZCJGPTCNZOGQOE-HNNXBMFYSA-N 448.549 0.723 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1541803069 BWRKMWLOJGFKEC-RVKKMQEKSA-N 442.542 0.155 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1557330707 GUCRYQXDTYVLGD-ZFWWWQNUSA-N 442.563 0.290 30 10 ICEE C#CC[C@@H](COC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1587391708 DQXYPGOPEBKZBD-INIZCTEOSA-N 425.482 0.447 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 1588198834 AIXNVJZUUHRBKF-HXUWFJFHSA-N 440.525 0.770 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1588732613 DXVLOZNOABOTLG-GCJKJVERSA-N 430.553 0.900 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 1632961331 WDDBCKANIHQHBV-CMDGGOBGSA-N 444.557 0.550 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2NC)CC1 1635993601 PNTSQOACCLASGT-UHFFFAOYSA-N 440.285 0.840 30 10 ICEE C[C@@]1(C#N)CN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCO1 1655732455 BAUJTWUPEJMZBV-HXUWFJFHSA-N 436.534 0.885 30 10 ICEE C#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1668694457 LCFCZGHGVAXFCD-UHFFFAOYSA-N 425.454 0.807 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1689991195 XYJJRDVYFGTHJB-HOTGVXAUSA-N 433.538 0.806 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)CC1 1690109273 MJHRXAQCCMDPTL-UHFFFAOYSA-N 425.493 0.292 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690131400 YMFRQDSSUTXXII-UHFFFAOYSA-N 438.623 0.364 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cccn2)CC1 1690137407 XSKSUIKVIFQGEL-UHFFFAOYSA-N 426.525 0.669 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1690717866 SMJBICNENJTGFY-UHFFFAOYSA-N 443.551 0.794 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1705674534 LBBXYNKWILUKCP-RLFYNMQTSA-N 429.518 0.588 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705937455 UKHYFNZFHKXFAR-INIZCTEOSA-N 432.506 0.506 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1712648305 SMPWKUGOSHGAGV-NXOAAHMSSA-N 439.538 0.698 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1722292561 ABEMTPPKBAUSRM-YZVOILCLSA-N 437.522 0.570 30 10 ICEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOC1 1729946710 GMBLYSDDCXHLGF-UGKGYDQZSA-N 440.504 0.964 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1740550156 HUCOFISJCKTFNF-ZBFHGGJFSA-N 426.506 0.662 30 10 ICEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1741807227 HPVQEFLTOIPQLQ-HNNXBMFYSA-N 425.493 0.766 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1748752460 XTIMSAOFOPZBEG-KTGAGVNESA-N 437.566 0.622 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748802193 NBRHFGNDJBLAAL-CQSZACIVSA-N 449.562 0.349 30 10 ICEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1748934268 OBPNVHZLTGOGBE-CVEARBPZSA-N 425.449 0.671 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760188795 DDCPWZCQDFFPLX-GOSISDBHSA-N 425.518 0.856 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760191720 MLLORPIUNBKYJP-KRWDZBQOSA-N 432.550 0.681 30 10 ICEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760532889 IHPRRXSLXZOBSD-UHFFFAOYSA-N 437.508 0.789 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760555516 HFJHPAXMPDOMFF-MSOLQXFVSA-N 439.582 0.541 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1761203150 CYDKJLSADDIVOF-OHTQGHCMSA-N 431.497 0.558 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1761580651 CSYFGHVCQZPBLW-CABCVRRESA-N 427.465 0.680 30 10 ICEE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772789713 DONFMYNGKMSTFI-XJKCOSOUSA-N 434.470 0.851 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(O)nnc3C)CC2)nc1C 1859430798 IYINKOKCDIAROD-UHFFFAOYSA-N 433.494 0.754 30 10 ICEE CC1(C)OB(c2cnc(N3CC(NS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2116137793 CWCJOBLBQFLOKA-UHFFFAOYSA-N 432.149 0.881 30 10 ICEE NCC#Cc1nc(=NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)s[nH]1 2364300432 NLNFPNQKKGRFHS-UHFFFAOYSA-N 447.542 0.869 30 10 ICEE CC(C)OC[C@@H](O)Cn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C 254301413 KKBMLRBEVZTLIV-AWEZNQCLSA-N 430.465 0.371 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)CC1 438604051 FSAWSIRCASHQKZ-UHFFFAOYSA-N 439.538 0.063 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 534493482 KQPOMRVMWMVXOD-DAABDDCCSA-N 445.589 0.994 30 10 ICEE CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)nc1 586860288 YXZLUNXXJJGMHE-UHFFFAOYSA-N 425.420 0.890 30 10 ICEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 746746174 QNGYQVWPOPBSGE-PXAZEXFGSA-N 428.445 0.406 30 10 ICEE N#CC(C#N)=c1sc(=Cc2nc3ccc(Br)cc3s2)c(=O)n1CC(N)=O 772320046 YXQWRFLZGZHSJD-UHFFFAOYSA-N 446.311 0.794 30 10 ICEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782657494 DDLJOXFHVOOYJX-UHFFFAOYSA-N 436.291 0.386 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 802138286 DLEZRPIYKAIZBI-IBGZPJMESA-N 444.561 0.415 30 10 ICEE C[C@H](CC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 803573658 NGPTVBAOQXHRIK-ZIAGYGMSSA-N 442.563 0.434 30 10 ICEE C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(Cl)cc1 810473400 BMUPIRHFGVNLHY-INIZCTEOSA-N 429.864 0.825 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc(S(C)(=O)=O)n2)cc1 813398458 YKMHFQVUFKUJPE-QNGOZBTKSA-N 437.503 0.945 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856601955 DKXGKKBCLGOTBO-DLBZAZTESA-N 427.486 0.214 30 10 ICEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nn1 1221491136 XUPGHHUFVGQDOD-QGZVFWFLSA-N 434.522 0.921 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)CC1 1231317895 NEJGPCYQVOOTJM-QGZVFWFLSA-N 428.518 0.654 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)CC1 1286493981 YJZCVZOUMKZMNJ-UHFFFAOYSA-N 439.564 0.628 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1286818174 CSAKJTCDHLSSJP-UHFFFAOYSA-N 433.538 0.641 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1298012987 BOHNMAXFAKNHKV-UHFFFAOYSA-N 434.508 0.319 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncnn2C(C)(C)C)CC1 1300706430 LVSWETNEAWGXSU-UHFFFAOYSA-N 425.541 0.551 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1300991085 PENSYVGUJLNLJI-CRAIPNDOSA-N 442.517 0.646 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1301897886 ADNIXUVOSGGJDT-MOPGFXCFSA-N 426.477 0.573 30 10 ICEE CCOCc1nnc(N2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314346202 DZBAPMOPSSHIPO-HNENSFHCSA-N 431.497 0.446 30 10 ICEE CC1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1319945033 FFBVMYIXRYGBOB-INIZCTEOSA-N 427.548 0.920 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1358933551 XAAHTTFHEUGBBA-UHFFFAOYSA-N 436.520 0.634 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1359031091 PPDUNDLYZJBDTR-SIKLNZKXSA-N 432.569 0.406 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359359736 ZKGWDCJPOQQVDB-MEUCICPISA-N 427.509 0.987 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O 1507831591 AUARBZPTWZLADA-CQSZACIVSA-N 435.572 0.058 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508145906 QHDOJIDZPUWCAM-HNNXBMFYSA-N 433.600 0.548 30 10 ICEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1518333346 BFASPBSVBGLPPJ-INIZCTEOSA-N 436.494 0.144 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1541927702 ONEFRTYETRVISL-JJRVBVJISA-N 442.517 0.873 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H]1O 1554545675 KVFFEJGJYYJUCO-QZTJIDSGSA-N 429.477 0.576 30 10 ICEE N#CC1(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1563966724 FWJIVDQQUHTSJW-KRWDZBQOSA-N 429.525 0.902 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1583812079 RBVASHZVTFXCNZ-IBGZPJMESA-N 430.486 0.987 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCCN(C)S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1588029405 HLYZLUHJFNMUGX-INIZCTEOSA-N 445.611 0.700 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595529972 OHDFDHWSGAJYBG-UHFFFAOYSA-N 446.515 0.929 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC1 1669205789 SWYRBRCZQCKBJO-MRXNPFEDSA-N 429.493 0.362 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)CC1 1683489865 MTQZUDOJTLJGFK-UHFFFAOYSA-N 448.471 0.533 30 10 ICEE C#CCN(c1nnc(C)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1689981827 BZORKODSXJPFPK-KRWDZBQOSA-N 431.518 0.739 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1689996595 KKTGCZMQFQDBGW-IAGOWNOFSA-N 445.549 0.045 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690485018 JKTCFNRTHRRKJY-IKGGRYGDSA-N 443.570 0.817 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1690670486 CHPUGKNVXQHAKP-HNNXBMFYSA-N 449.537 0.558 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1705583410 XNCLALDHIIIQOF-KRWDZBQOSA-N 437.566 0.889 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1705627624 MHSCKXHYQQPKGL-MRXNPFEDSA-N 426.525 0.876 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)COCCO2)CC1 1705632404 OUPXOBDZVVYOPM-NRFANRHFSA-N 425.493 0.486 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1730994312 CLDWPPTWEUNXLK-SJORKVTESA-N 447.517 0.883 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)CC1 1740696486 VOFNYPYKVRVPEI-OAHLLOKOSA-N 428.946 0.119 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740959054 ZFGJTMUVEXNICX-QZTJIDSGSA-N 435.488 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCNC2=O)CC1 1740990393 SWYAZBSWTXLESI-UHFFFAOYSA-N 433.538 0.868 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1747194123 WCWQBXUPXHCWIY-MRXNPFEDSA-N 445.549 0.843 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1748809345 LHEDHKKQXVOLLI-GOSISDBHSA-N 436.501 0.735 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1748831702 UQYKJJBJXAIBPP-GOSISDBHSA-N 443.529 0.684 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)COC)CC1 1749354071 ICHUJPLVPRAHHT-OAHLLOKOSA-N 442.586 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749721583 OIXPEZLEVPEWIB-CQSZACIVSA-N 447.583 0.031 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC2CCCC2)CC1 1760254126 OOCFNGHHGVSFAT-KRWDZBQOSA-N 438.598 0.993 30 10 ICEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760568828 UKCQMVSGQZOESJ-SFHVURJKSA-N 445.611 0.931 30 10 ICEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1761395277 AUVASNICCDKJLK-INIZCTEOSA-N 430.534 0.772 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1771188096 TVXBTTNDQYKPHV-KXBFYZLASA-N 441.554 0.682 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(OC)ccc1OC 1865721813 BXFAZQSHKBCBET-CQSZACIVSA-N 428.445 0.098 30 10 ICEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(O)CC2)cc1=O 1870560429 VQUPCUQUZOOUHR-UHFFFAOYSA-N 431.514 0.513 30 10 ICEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O 2017545974 BMWCCTUSKYGKGQ-WDEREUQCSA-N 447.373 0.847 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CCN1CCOCC1 516559646 AWAZOPOFUJNXMQ-UHFFFAOYSA-N 438.962 0.206 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 522309881 MASSTVHZIVTSKE-UHFFFAOYSA-N 445.564 0.527 30 10 ICEE CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 616590381 QXSOYPUOFNJBDA-SJJUBHFPSA-N 438.476 0.162 30 10 ICEE CN(Cc1cnccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 783936402 PRKIEBOJROEZMR-HAVVHWLPSA-N 430.490 0.887 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)c1 1151133186 ORXHSALAABHNEM-HNNXBMFYSA-N 427.500 0.286 30 10 ICEE CCOCCS(=O)(=O)NCC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1183324903 OYHVGKNBYUMXDS-UHFFFAOYSA-N 435.300 0.125 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1194096815 NPFKJTMMAIJQQG-UHFFFAOYSA-N 427.426 0.359 30 10 ICEE N#C[C@@]12CN(CC(=O)Nc3cccc(C(=O)N4CCSCC4)c3)C[C@H]1CS(=O)(=O)C2 1198084811 LIILCZVCMFEXFU-JXFKEZNVSA-N 448.570 0.684 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2=O)cc1 1234023748 MKFWRHCWEBHLNW-QZTJIDSGSA-N 425.489 0.726 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)n1 1256226034 CLGUCGDYZABGGN-SFHVURJKSA-N 426.477 0.682 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286390735 BOEYNPILURDROP-XHSDSOJGSA-N 444.579 0.089 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)C2CC2)CC1 1286485608 RGVRYJXXYOGPNH-GOSISDBHSA-N 428.537 0.905 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O 1286566227 REYKMJYATXVXIN-YJBOKZPZSA-N 440.570 0.367 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1286785461 GAALDAPDBRVRKK-CYBMUJFWSA-N 429.481 0.270 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1298568999 DVZFHIRTKREKSZ-SGOHWPKCSA-N 429.481 0.228 30 10 ICEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1302207165 VDVYRFRYBGNPHF-HOTGVXAUSA-N 427.527 0.352 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn2cc(Br)cnc12 1309079287 KRGNEBHYUVMNAG-NSHDSACASA-N 433.309 0.303 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1358965154 OXVWVCRWECIIGM-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1359034743 BNHIXWLYBQJFMR-OALUTQOASA-N 429.569 0.221 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)C(OC)OC)CC3)ccc2c1=O 1457925391 LXZCWGGYOUHVOL-UHFFFAOYSA-N 432.502 0.775 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 1471451112 NIJLWZCQMNAXDK-MRXNPFEDSA-N 448.314 0.408 30 10 ICEE CCN(CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1502182823 DJDDAKZSQRNGGK-QGZVFWFLSA-N 433.538 0.664 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507560343 GTDTUFNWSDYZMP-AEFFLSMTSA-N 427.553 0.822 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1507616701 MKTJMVWQSISXEG-SNVBAGLBSA-N 442.286 0.668 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1507660684 YDLYDPDDNCKFHT-INIZCTEOSA-N 430.534 0.581 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1508099422 WVRUPRHVLWDSEI-GJZGRUSLSA-N 447.540 0.964 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1510224254 PCQKKDLSUCARHG-FZKQIMNGSA-N 436.494 0.397 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccccc2F)CCO1 1521121128 HHMCANJFCIJLQS-OAHLLOKOSA-N 441.467 0.812 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539225402 NMTLXRINPRJQBI-WIYYLYMNSA-N 445.545 0.696 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1539239754 QLWUCSHVJCGKDV-CVEARBPZSA-N 429.502 0.801 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1541803132 CVYZWGVAQYVVLU-SJORKVTESA-N 437.570 0.611 30 10 ICEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554491759 ZTEPZZQDOXUOBV-GOEBONIOSA-N 425.497 0.642 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1555993366 NEWKQXFTMOYFHZ-LRDDRELGSA-N 445.430 0.864 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C[C@H](C)O3)C2)C1=O 1583344867 MPNOQUHIYNMMRV-GAJHUEQPSA-N 440.500 0.855 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1589053598 QXBPZPRQSBICIW-UHFFFAOYSA-N 446.533 0.843 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 1589657516 FHZZNSKMUKPRRK-HNNXBMFYSA-N 446.595 0.522 30 10 ICEE C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1620316227 QJMCCPWYUFYQKD-CZSKYUQBSA-N 429.481 0.369 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 1622498887 ZIUYCGHBHJDTSD-UHFFFAOYSA-N 425.454 0.620 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1625175015 XDYWFABBTPWSIH-HNNXBMFYSA-N 434.493 0.113 30 10 ICEE CCOC(=O)[C@]1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 1630926163 OZXYLAQUJCZQDH-VLIAUNLRSA-N 437.518 0.980 30 10 ICEE N#C[C@@]12CN(C(=O)c3cccc(I)c3N)C[C@H]1CS(=O)(=O)C2 1639178742 GTKNFIWALCRHKP-XPTSAGLGSA-N 431.255 0.884 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)cc1 1665969519 OJTXCMAYECQIIH-HNNXBMFYSA-N 431.536 0.770 30 10 ICEE N#Cc1csc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)n1 1687729787 QPBNLKJATYJBLJ-UHFFFAOYSA-N 426.446 0.675 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1689826307 LVMWFOMWQIJSPR-HUUCEWRRSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989308 CYGYEGYKIBURMV-IAGOWNOFSA-N 437.566 0.714 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1690958600 XXEVMFILIWKNHA-PMACEKPBSA-N 440.504 0.964 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705564524 BNPNHYJRJIGAFF-DOTOQJQBSA-N 445.549 0.255 30 10 ICEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1712617324 AMYUUDMWOIJJTN-CQSZACIVSA-N 425.449 0.986 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712693818 BKDTVYZVXHANFH-SWLSCSKDSA-N 439.519 0.316 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1722296566 RQWUPBHTWNXGRG-QAETUUGQSA-N 425.555 0.884 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(C)c2)n1 1722428861 CDYXKBZUUUUBBK-SFHVURJKSA-N 437.508 0.494 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722527811 AVHWQGAPGAPGQF-KBPBESRZSA-N 428.515 0.122 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1722681025 FQIRAGSEMORTEO-KRWDZBQOSA-N 441.598 0.930 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1722728695 XCNRTDLMUCNVIG-QGZVFWFLSA-N 436.582 0.895 30 10 ICEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729220757 AGUDZMPAOWLMIZ-UHFFFAOYSA-N 432.554 0.934 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1740610955 PKGQHOMUXXRFPV-LLVKDONJSA-N 427.474 0.933 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740629278 IAKNCYYUQSVKQZ-BBWFWOEESA-N 426.539 0.665 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747665041 MFFMVIHSSYRACK-VXPUYCOJSA-N 443.508 0.052 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1748671190 GUCWCRFJEHLLEQ-DGCLKSJQSA-N 425.540 0.277 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748811026 AFYOPOUOFQUTKL-MRXNPFEDSA-N 448.940 0.855 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1750201185 JUTGPMVTLKHNAE-WMLDXEAASA-N 447.558 0.837 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760449527 MPVNYJXIAZUXAW-INIZCTEOSA-N 440.570 0.682 30 10 ICEE COCCN(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270510634 XBZQQTLZOMDCMM-MRXNPFEDSA-N 427.479 0.646 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NC3(CC(=O)OC)CCS(=O)(=O)CC3)cc2C1=O 439367440 AWFKFPWPCQUGJR-UHFFFAOYSA-N 434.470 0.709 30 10 ICEE Cn1c(=O)nc(O)c2nc(CCC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)[nH]c21 482732087 AQTYURWEJZGORF-UHFFFAOYSA-N 435.488 0.969 30 10 ICEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 610596433 BYKPPVPLACEWCF-QKKBWIMNSA-N 441.492 0.976 30 10 ICEE COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 729671096 DLMLFMOFFGHUQY-UHFFFAOYSA-N 449.492 0.616 30 10 ICEE CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1=O 760943297 FWDJLNIEVPSFDQ-UHFFFAOYSA-N 430.490 0.514 30 10 ICEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(F)c1 785528768 UTYKFEVZPRGTFU-UHFFFAOYSA-N 442.469 0.995 30 10 ICEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805875612 ZAGKDHLHFXUCIA-PBHICJAKSA-N 438.481 0.912 30 10 ICEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)CC1 1084216159 PKRNFWGSPJRRDX-UHFFFAOYSA-N 434.526 0.605 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286490256 JCJQTHNYHBHEJW-OAHLLOKOSA-N 443.533 0.136 30 10 ICEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286530412 LWHZVLPOFNBNDA-CHWSQXEVSA-N 442.314 0.783 30 10 ICEE CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1298002561 AIUDXFMWIUOWHU-KRWDZBQOSA-N 436.520 0.906 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300485395 VWQNUFVSXLFGCD-HUUCEWRRSA-N 443.595 0.705 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1359292102 IJJFKRIBMQVSCC-CQSZACIVSA-N 432.550 0.794 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1360189704 XFILVGJPVZBUKE-HJUNTIBCSA-N 431.497 0.556 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C[C@@H](C)O1 1479157996 GBCOSVMEVVMUNZ-YRNRMSPPSA-N 447.561 0.707 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507622560 IYRXAGLAFSBRFR-KRWDZBQOSA-N 448.593 0.625 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@@H](C)CC 1507980608 HNNPRPWECHWETB-LSDHHAIUSA-N 428.559 0.538 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508089078 VJVNMIWLIOZRRJ-MRXNPFEDSA-N 447.540 0.836 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1516850411 GRZGSQQOLOMZPA-RHSMWYFYSA-N 444.583 0.250 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540868117 SFLOLSSCSDHSLO-QGZVFWFLSA-N 440.508 0.352 30 10 ICEE COCC(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1555207523 LUUUXGQOCURQNS-MRXNPFEDSA-N 427.465 0.474 30 10 ICEE N#CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1565814600 AFUMHFJRSVDKBZ-OAHLLOKOSA-N 426.564 0.955 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N1CCOCC1 1587632110 IQMOAAXAZBUABU-QGZVFWFLSA-N 438.536 0.769 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1593695986 KFMQXTYKIZIMCV-LSDHHAIUSA-N 429.543 0.870 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1595602066 DVSMVBXPNDXBIN-HRAATJIYSA-N 434.541 0.727 30 10 ICEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1626656415 XZJQUWQEZKWHBD-YEWWUXTCSA-N 425.532 0.774 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)CC1 1628146784 QGOCCRZSBLHKHM-UHFFFAOYSA-N 430.509 0.399 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC#C[C@@H]3CCCCO3)cc2)CC1 1640374177 FTDGJGOQRHNKPB-IBGZPJMESA-N 433.530 0.842 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)CC1 1644285260 MGVLNWFCPLYJSS-UHFFFAOYSA-N 444.517 0.768 30 10 ICEE COC(=O)c1cc(C2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)[nH]n1 1653472065 ZXUCOECWNUHBGL-UHFFFAOYSA-N 431.474 0.641 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689987862 DIOISIJCTMUSMT-MRXNPFEDSA-N 426.506 0.627 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCNS(C)(=O)=O 1690216136 KMLYFIIIRCLLET-TXPKVOOTSA-N 425.555 0.934 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690731141 ATFMBUIUGJOENH-UHFFFAOYSA-N 447.609 0.834 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563872 HGJRYULBLDHGAR-UZLBHIALSA-N 431.518 0.772 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1705584485 LVAPCAOIHOEWSC-OAQYLSRUSA-N 428.514 0.500 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705597058 VKJININFWALESX-OALUTQOASA-N 439.564 0.635 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCOCC2)CC1 1705649393 WFLQNKSDXSGVRI-UHFFFAOYSA-N 425.537 0.961 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)Cc1ccon1 1705667522 NLMNFFLZLDCUPN-LJQANCHMSA-N 449.537 0.516 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)N(C)C 1706621133 IDPLZKDGUSEUBW-HZPDHXFCSA-N 440.556 0.743 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712710283 APFMISOFJPLFBD-SJORKVTESA-N 437.570 0.636 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722367543 WLEYDCCXYSEZOI-OXQOHEQNSA-N 438.550 0.472 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1722383728 WUHVXUUNNJCNRQ-UHFFFAOYSA-N 427.472 0.743 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCC2 1722428471 ZXFCCXXYFFGPAN-UHFFFAOYSA-N 440.533 0.942 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)CC)CC1 1722566258 NUYTTWDFZYNJLW-QZXCRCNTSA-N 431.584 0.536 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722692511 ONWZTXVJCFHGOK-UHFFFAOYSA-N 437.508 0.312 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1722725491 PFSQEWCQGUDSGE-CQSZACIVSA-N 447.521 0.193 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1740624528 JOBUBLLTUQPGKY-GOSISDBHSA-N 442.545 0.665 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1740655394 AORVSEQTPLSOAB-IAGOWNOFSA-N 437.591 0.827 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748818622 CQGYLIWIHHRQQW-XLIONFOSSA-N 431.518 0.042 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1749630343 RGLYGKOOULTZKJ-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749678223 ZRRFZMJOCKYPJZ-UHFFFAOYSA-N 443.474 0.777 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1760206271 VCDMQRVMIDZCHY-MSOLQXFVSA-N 434.566 0.026 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCNC(=O)C2CCC2)cc1 1770741040 UCSSFHIYRDQWDL-UHFFFAOYSA-N 437.504 0.971 30 10 ICEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705688 PSOFUDQWJBYBSJ-UHFFFAOYSA-N 445.480 0.975 30 10 ICEE Cn1ncc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821350 DVUBCRLZCUFYDV-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 72443848 BMTCKKDNUFXCQK-UONOGXRCSA-N 437.416 0.604 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254739269 ZRIHAYQPBLIOFX-BXUZGUMPSA-N 426.472 0.877 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1Cc1ccccc1 546073851 ZHKVLNGLHYZEJM-UHFFFAOYSA-N 449.488 0.944 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619103136 UACKDSZLLBAQJO-UHFFFAOYSA-N 442.501 0.539 30 10 ICEE C=CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 679588416 NHGYAVIQYDCSRM-UHFFFAOYSA-N 427.498 0.758 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 751724012 JAHOHGLYVNJQLN-UHFFFAOYSA-N 432.458 0.713 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 771126099 SEACYESQDXZESR-ZESIPNTPSA-N 437.522 0.604 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)c1 802581671 ALEYPPJCZBSETE-UGHXVNEISA-N 444.460 0.930 30 10 ICEE C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 809148090 DTHUZALATAFKOC-UHFFFAOYSA-N 448.589 0.803 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 813564547 DSQFQMVVDXRWPE-GXTWGEPZSA-N 436.538 0.224 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1286395713 UDPKKVPKHBHSQV-PXNSSMCTSA-N 431.518 0.042 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)CCOC)CC1 1286490838 UDYDJGFONMDRBT-UHFFFAOYSA-N 426.525 0.279 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1)C1CC1 1286732228 NNWYFWVCCCNXOX-ZDUSSCGKSA-N 426.543 0.325 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286785891 STHGLPKKSGXBAL-UHFFFAOYSA-N 435.492 0.396 30 10 ICEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cs1 1290418767 YUYKRHAQSKYBLG-SJORKVTESA-N 440.526 0.625 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300479336 LWRRLCDSUJXCLE-IRXDYDNUSA-N 438.598 0.773 30 10 ICEE CCOC(=O)[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC12COC2 1303335699 ZDZPMJCWUHVXHS-IAGOWNOFSA-N 440.456 0.801 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358960346 CGUPJFKLGIUYAA-HNNXBMFYSA-N 433.538 0.078 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C2CC2)CC1 1359045371 FGLDLIQJXNPCJL-QZTJIDSGSA-N 449.577 0.571 30 10 ICEE C[C@H](CC(=O)NCCN1C[C@@H]2CCCCN2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1453950033 LXRUPMSFWORWNB-CABCVRRESA-N 433.534 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 1458558851 VRUDNUBGBRZUSZ-UHFFFAOYSA-N 438.434 0.181 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1471251170 DYYZSEQNNPEMNX-AEFFLSMTSA-N 437.518 0.849 30 10 ICEE N#CC1(C[C@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1473262585 BLWWWLZNWMSNCA-KRWDZBQOSA-N 435.550 0.279 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507637133 IBHALYAFEMRYJK-KZNAEPCWSA-N 437.566 0.477 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861087 BBKXAAUILHWQKA-JOCHJYFZSA-N 446.552 0.776 30 10 ICEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1543315626 FGIYZPUNGRYVIG-QGZVFWFLSA-N 430.538 0.604 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2CCO)CC1 1560162075 XFKWNJAHAAOQEJ-RTBURBONSA-N 438.525 0.016 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1587990269 UTISBXSNQGVUOG-ZIAGYGMSSA-N 431.609 0.529 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N(C)C)CCOCC2)CC1 1588751036 HZVOHFCVFMUSAA-IBGZPJMESA-N 434.585 0.868 30 10 ICEE N#C[C@]12CN(C(=O)C3CCN(C(=O)COc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1618171520 ANYPBQXUOFMECS-LAUBAEHRSA-N 431.514 0.701 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1625651303 PMVIVGWENRSMNO-QWHCGFSZSA-N 437.946 0.784 30 10 ICEE Cc1c(Br)cccc1C[C@H](CO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1636738596 GOWDPQRNZREQAK-LBPRGKRZSA-N 435.278 0.859 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCSC2)CC1 1690375942 YAPWERUEMUHYST-YJBOKZPZSA-N 443.595 0.635 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690675707 CFZUKPQQBBKQQA-UHFFFAOYSA-N 440.504 0.979 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494746 YZDZOGGXGUMBLY-SOLBZPMBSA-N 428.468 0.994 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705661899 LCMGOSZLGDKNCU-HUUCEWRRSA-N 430.538 0.680 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705901566 PHWKXBKPXIRKGE-IIBYNOLFSA-N 428.468 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CC(N)=O)C1 1705937994 KJZISGKBNGGNJX-OAHLLOKOSA-N 438.554 0.093 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccn(C)n1 1706621681 UNQIBLINBOUEJZ-UHFFFAOYSA-N 448.535 0.986 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCS2(=O)=O)C1 1722720919 OYRXQMIHNZYDGO-INIZCTEOSA-N 438.554 0.217 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1740685390 FJDMREWPCWKAPW-MRXNPFEDSA-N 443.545 0.979 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1740786607 JITZGDXQGAQLSW-UHFFFAOYSA-N 443.508 0.813 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749193267 DOCIBVXCKGQTEV-CABCVRRESA-N 431.584 0.522 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760192640 LIGKKZFOMDUWMW-KRWDZBQOSA-N 425.555 0.164 30 10 ICEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1760359818 LNSUKOVPCAILEO-HNNXBMFYSA-N 448.549 0.814 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1760566155 NBFRJGLEOCMTPO-OAHLLOKOSA-N 443.595 0.394 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCCO2)nnc1N1CCS(=O)CC1 1771564571 NDDAICQUYIPBSA-ZMMDAZFZSA-N 434.522 0.615 30 10 ICEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCS(=O)(=O)N2CCOCC2)cc1 1851230292 JSXACTPVTIPJNH-IBGZPJMESA-N 425.507 0.274 30 10 ICEE Cn1ccc2cc(C(=O)N3CCN([C@H]4CCN(S(=O)(=O)CC#N)C4)CC3=O)ccc21 1856849587 GZZNJVLRBZDELN-KRWDZBQOSA-N 429.502 0.390 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865721741 ANCZSBBEALELGR-LBPRGKRZSA-N 447.835 0.642 30 10 ICEE COC(=O)[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282833912 MNJVHDZHWXLAAT-VIFPVBQESA-N 425.721 0.513 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 465123307 XFDOGEUNUYTHLU-AWEZNQCLSA-N 430.461 0.623 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)C2=O)cc1 486627603 KTUAWQIBOXWYLC-GOSISDBHSA-N 445.522 0.967 30 10 ICEE COc1cc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)ncn1 487511200 HKTUJGZZGAAPQV-SFHVURJKSA-N 435.488 0.990 30 10 ICEE Cc1ncc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1C#N 489268498 VHIZGDJLYWPGAV-QGZVFWFLSA-N 443.533 0.836 30 10 ICEE C=CCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508817932 QGOQYBLNFYNWOZ-UHFFFAOYSA-N 436.513 0.969 30 10 ICEE Cc1ccc(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 561340987 DEYMOAYJKWHCMQ-OAHLLOKOSA-N 428.536 0.341 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCN1CCOCC1 603798044 RSSVKZAKRMERJU-UHFFFAOYSA-N 444.582 0.417 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 679532398 QNNTWPLCBIZPQM-UHFFFAOYSA-N 431.898 0.618 30 10 ICEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707227 VVRTVEUJYWWFDZ-OAHLLOKOSA-N 448.549 0.140 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)n1 788693809 FOLCELSNZFGYDW-UHFFFAOYSA-N 426.520 0.262 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n1 790104808 XGMKACLFLHONCZ-UHFFFAOYSA-N 446.529 0.826 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1 1136287099 SEQBJMYVMTWHSN-SDXDJHTJSA-N 431.540 0.176 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)CC2)cc1 1141413653 CFTOFEZGAMECHY-LSDHHAIUSA-N 444.435 0.706 30 10 ICEE CS(=O)(=O)NC1CC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1155165213 HUUWGPCBZSUIAD-UHFFFAOYSA-N 427.324 0.953 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)CC1 1197202034 KXGZUAUCQFZFGB-SBHAEUEKSA-N 429.496 0.514 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1286402968 ZVCBHCGTNPVOGG-UHFFFAOYSA-N 438.517 0.445 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2conc2COC)CC1 1286495134 XPCLPDZBIBFKDX-INIZCTEOSA-N 428.493 0.931 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1301297265 OJWRINGCOQIOHY-ASHKIFAZSA-N 431.584 0.534 30 10 ICEE CC1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303976610 OVKPGDDAMRTRCP-DOXHGZAWSA-N 429.481 0.371 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1307651118 YHJNJALXCWFSJV-INIZCTEOSA-N 428.555 0.240 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1314138778 DWFVEUJOVCVPJA-VQIMIIECSA-N 441.554 0.874 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1359057683 GEUXVBSWXJUSJM-GJZGRUSLSA-N 445.636 0.919 30 10 ICEE C#CCN(CC(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1453532567 HBPDJXFSKNJLTA-NRFANRHFSA-N 441.525 0.971 30 10 ICEE C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1467244070 DVMMNORKIYSKDJ-ZDUSSCGKSA-N 431.474 0.580 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478655635 FNZVXPOHMOEJNL-MOPGFXCFSA-N 438.550 0.790 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507558051 VIFFUFOEEMZVSB-UKRRQHHQSA-N 437.526 0.961 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1507831711 CVRAELIFWHDZMU-QGZVFWFLSA-N 440.570 0.540 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1539202780 LEBCTXRQEXIKCC-GJZGRUSLSA-N 431.584 0.705 30 10 ICEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539224863 JEWMSFVBUFRYRB-KRWDZBQOSA-N 442.545 0.914 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539517634 QFOYSLNKTBMKAJ-QZTJIDSGSA-N 432.594 0.891 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1594661386 TUVRUHRMLUFGRE-JTSKRJEESA-N 446.552 0.822 30 10 ICEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1598202471 HERDKKUXNVGNMB-VGOFRKELSA-N 437.504 0.371 30 10 ICEE COC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619715580 AHDQNWXDWLKEJD-MQINBFPNSA-N 429.481 0.228 30 10 ICEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1622335433 FPASKKQKPBDFBT-UHFFFAOYSA-N 431.580 0.836 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1638849117 VNBDBAZQKJJBPO-SFHVURJKSA-N 433.530 0.469 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2)C1 1653072366 AWXLXTWYCWOZAW-KBXCAEBGSA-N 439.534 0.535 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn4c3OCCC4)CC2)cc1 1661280542 CIICPLDWOZNPJZ-UHFFFAOYSA-N 437.503 0.232 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(=O)OC 1671583148 YFFAINGNURWKEW-ZACQAIPSSA-N 428.445 0.657 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689908039 UXQQNXAXHVPLGT-KRWDZBQOSA-N 434.566 0.932 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1696502158 OJJUFAQYKZQNQW-JKSUJKDBSA-N 446.489 0.870 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CC1 1705633739 XLSUBDQRVDFLED-INIZCTEOSA-N 446.581 0.153 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705903481 WWJVGOBZGCDTSN-KRWDZBQOSA-N 432.525 0.159 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1705930351 LIPTWBDSDLOHIO-KGLIPLIRSA-N 435.572 0.104 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711344285 NKSMDRYIMJCAPW-MEUCICPISA-N 429.525 0.965 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722360032 CHCHJLKCADILTP-APWZRJJASA-N 433.559 0.835 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727650976 NXPZFTJMUZGJMU-MHXCMXBESA-N 429.481 0.023 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1740548390 GFLJGJUZUZLGPV-AWEZNQCLSA-N 443.533 0.589 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740622541 ZGBVKVAWKVZGCH-GOSISDBHSA-N 446.577 0.633 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965214 MUOATCVPHWUMML-IIBYNOLFSA-N 447.540 0.177 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)c1 1748698061 PWFPQJROGYDIOY-QGZVFWFLSA-N 446.533 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1749670944 XRZICHJVJWHGNL-QGZVFWFLSA-N 434.541 0.453 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749677808 LHHOGGFXRTXRKX-QGZVFWFLSA-N 445.568 0.392 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1749732459 WWXQBJWOHIRCOF-OAHLLOKOSA-N 439.538 0.852 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760153306 MZRUWEORZZWDDJ-MRXNPFEDSA-N 440.508 0.700 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CC2)CC1 1760263929 VGBUQUREHWCJGX-IRXDYDNUSA-N 437.566 0.335 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1760357827 NXDAOZMOWWDUIH-HOTGVXAUSA-N 426.543 0.942 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760521116 JVIYUIJXHSABNZ-UHFFFAOYSA-N 426.525 0.838 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760554097 RFKMGKOQPHHDEJ-DNVCBOLYSA-N 434.522 0.720 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1765635087 CLWWQHVUJIDGLQ-UHFFFAOYSA-N 434.508 0.252 30 10 ICEE CCOCc1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766312729 BMGFHNCJLYEVQN-DNTCVELPSA-N 443.508 0.542 30 10 ICEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCC#CCN1CCOCC1 1852723757 MCCUAVFSKYIUPW-UHFFFAOYSA-N 430.324 0.179 30 10 ICEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C1=O)CC2 1856549153 WKPVQKWGKCHZSH-WMZOPIPTSA-N 434.562 0.944 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 1858421747 CRTDYXJVUURECO-KRWDZBQOSA-N 426.502 0.708 30 10 ICEE CCC[C@@H]1O[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)C([C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)=CC3=O 257575198 VUCLOMKZKFWQMS-CTDQUGNGSA-N 434.441 0.302 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440378829 GUQIKOCANPCOMU-XJKSGUPXSA-N 442.497 0.208 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1=O 508692133 UKKGAHYGNXTGMF-GOSISDBHSA-N 435.488 0.679 30 10 ICEE Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1C 619510154 VNXOYOUWBORFEV-UHFFFAOYSA-N 428.518 0.978 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccoc2)c1=O 727416795 NSYFERCEOAIMAH-UHFFFAOYSA-N 444.557 0.597 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)n1 788813549 MRTASSGFAWZQHX-UHFFFAOYSA-N 438.481 0.529 30 10 ICEE C[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 806782354 YAORBBJUJOAZBO-XLDDRMMHSA-N 431.415 1.000 30 10 ICEE CCc1noc(C[C@]2(O)CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 856697316 FEZITIFSGJCHBS-LJQANCHMSA-N 433.490 0.267 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286385282 MEJGZHHOYXPGHV-ULQDDVLXSA-N 442.538 0.044 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)CCOC)CC1 1286492769 INROFQGXGFDOSG-AVRDEDQJSA-N 433.553 0.925 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 1286581348 IOECFVREMWPCGZ-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1286789252 QYZAKAQZPRDKIT-UHFFFAOYSA-N 442.520 0.475 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1286793119 SLBKOWNEHIHYQA-FOIQADDNSA-N 430.513 0.702 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1286823686 PTXASPNAYXAQIF-HIFRSBDPSA-N 430.600 0.912 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 1300734113 RAYDTIOURICAQJ-HNNXBMFYSA-N 426.612 0.787 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1442993788 NXTCJFAOAUIEJP-PMPSAXMXSA-N 444.554 0.188 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)C1=O 1455240308 VYDLWKZJPRZJIU-UHFFFAOYSA-N 428.489 0.497 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(=O)n1CCO 1459235284 GGEJPPHSLSVVPJ-UHFFFAOYSA-N 428.464 0.950 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)cc1 1465259374 VGOPUPTUGMJSDN-HZPDHXFCSA-N 439.490 0.919 30 10 ICEE C=CCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1470310140 JYPWIZMSBRUWPT-UHFFFAOYSA-N 444.579 0.952 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccc(Cl)cc2)C1=O 1470351897 PKHIHMAOBYSLOD-LSDHHAIUSA-N 437.836 0.398 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc2O1 1507616327 JARCDUBKFFZZJZ-CRAIPNDOSA-N 447.517 0.520 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)CC1 1507723961 AVPMNSVXKVAZFA-UHFFFAOYSA-N 438.511 0.937 30 10 ICEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1508018426 SHHORZNESGEMMD-UHFFFAOYSA-N 443.533 0.920 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1508078556 DIELGQWPSSQOBV-CQSZACIVSA-N 442.476 0.905 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)ccc1F 1556960374 ONKZZXWXUAYDEE-HOCLYGCPSA-N 432.495 0.318 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 1588199740 XVHKPMFAFMBFBP-UHFFFAOYSA-N 426.451 0.228 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN(CC)S(C)(=O)=O)CC1 1588848221 AKXSUVXYPWBYQK-UHFFFAOYSA-N 445.593 0.691 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@H]1O 1618888211 GIXUENYYIZDANI-NVXWUHKLSA-N 429.477 0.860 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690659180 MGNRDCQUDSFLFT-UHFFFAOYSA-N 430.513 0.761 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1696497330 FGSFEVIMMQFJIE-QGZVFWFLSA-N 429.506 0.875 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C2CC2)CC1 1705647655 KDSKBXKKGRARMR-CRAIPNDOSA-N 427.553 0.678 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722740074 JYOMCDIUQHYTCZ-UONOGXRCSA-N 433.538 0.621 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1740678995 XLURRUJMTRRUGA-IBGZPJMESA-N 432.569 0.957 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1740696227 ONNIEXGNYKEJII-SFHVURJKSA-N 443.577 0.833 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNS(C)(=O)=O)CC1 1740700323 OJXLBPYIJZEPLL-UHFFFAOYSA-N 446.577 0.724 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1740961841 ZMCSYLQCCICJAP-ZDUSSCGKSA-N 431.447 0.663 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748803240 WROJBOQEUJRFHL-QGZVFWFLSA-N 445.549 0.117 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1748804485 IJIKNEWBHHZSRE-QFBILLFUSA-N 426.539 0.593 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748818434 ZPTCWVNISZOYRO-IAGOWNOFSA-N 435.550 0.325 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1748838881 HMBOVLZURUELKQ-UHFFFAOYSA-N 432.575 0.735 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748889450 KEZNRQFZXZZUOI-OAQYLSRUSA-N 428.514 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1749668674 CHAJSGTUEZSUPU-YJBOKZPZSA-N 429.477 0.944 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1751027579 XQFLVYGCWUKWCC-DYESRHJHSA-N 448.524 0.296 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCS(=O)(=O)CC1 1760111659 QSBQLGNYECRREZ-CYBMUJFWSA-N 435.506 0.403 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1760565858 GDUAJPLYEHZJOK-LSDHHAIUSA-N 442.567 0.259 30 10 ICEE Cn1nnc(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 2267273613 OZRGDRVZDRSTTI-BTTYYORXSA-N 447.345 0.957 30 10 ICEE Cc1cc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)nn1CCC#N 504718176 YWNIUTNZCFWNTD-UHFFFAOYSA-N 442.501 0.647 30 10 ICEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 519876605 XHFUJTWFQUPDSA-UHFFFAOYSA-N 426.433 0.947 30 10 ICEE COc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(NS(=O)(=O)C(F)F)c1 765987679 YAPQIZLYPFGEQK-AWEZNQCLSA-N 425.435 0.963 30 10 ICEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCN1CCNC(=O)C1 781104445 UVICRKUZNJTMPI-KRWDZBQOSA-N 440.529 0.590 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)n[nH]2)c1C 1144512108 PWUFXUKNWGOXGZ-UHFFFAOYSA-N 427.509 0.887 30 10 ICEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1151079312 XAPBHBRVSSDWFP-UHFFFAOYSA-N 440.522 0.836 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OC)(OC)[C@@H](O)C1 1162895676 RFXMUOFRMCBWSO-RDJZCZTQSA-N 439.534 0.866 30 10 ICEE COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1171306283 GLTREKSHKHHCOR-HOTGVXAUSA-N 433.534 0.211 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)ccc2c1=O 1181413882 VEIHBUKZWLVDOI-YCRPNKLZSA-N 430.530 0.827 30 10 ICEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1213765333 DSIDYQCZCVIYMN-UHFFFAOYSA-N 428.532 0.558 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286392405 BPXHBNKTYZNKLR-IRXDYDNUSA-N 435.550 0.596 30 10 ICEE C=C(Br)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1286547548 HVWTYHTXHSCBBN-GFCCVEGCSA-N 446.331 0.997 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1300283699 OAQQJUKTFIHADN-HNNXBMFYSA-N 428.522 0.945 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1300671480 JPFTYRTVYNCLTM-YVORESIASA-N 430.596 0.813 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C1 1301537539 BRBLYIZOBMGJGQ-AAEUAGOBSA-N 427.556 0.878 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCO1 1308114471 OXQMLUATVJPYPO-GOSISDBHSA-N 442.925 0.914 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)CC1 1359037606 PMKLUYXAGRNIOJ-UHFFFAOYSA-N 429.550 0.055 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1359332473 YOWWRCAAXFZOSL-HNNXBMFYSA-N 446.595 0.786 30 10 ICEE COCCO[C@]12CCC[C@@]1(NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1472289888 SILCQZQAQJHSRV-WOJBJXKFSA-N 437.518 0.934 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 1475990252 CLAOVRIIBPNYSB-UHFFFAOYSA-N 439.925 0.849 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1505136585 CZWXFRIIMPVRLA-RDTXWAMCSA-N 439.517 0.238 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CCO1 1505321475 BBDQKERIZBFHGZ-OCCSQVGLSA-N 425.902 0.459 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539089412 LMZONQBWSOQPFT-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539606513 HGFUGSZISDTRIR-LBPRGKRZSA-N 432.344 0.932 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1540954735 HVOFCGGZOBBBNB-XUWXXGDYSA-N 441.533 0.589 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1541927289 HQRJYZHTFIITSL-ACJLOTCBSA-N 436.517 0.840 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554427875 NVUZPAFYUDEBNZ-GAYUIZRLSA-N 443.508 0.271 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 1556503917 CKFWPDWLUBPKLI-GOSISDBHSA-N 429.521 0.411 30 10 ICEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1585797327 KGNICJRMIANEME-SFHVURJKSA-N 441.557 0.658 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1587892217 BLTUXURTAJCMEW-IYVPYFHTSA-N 431.445 0.660 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1588138244 ATQRNZSJGLSJIR-RBUKOAKNSA-N 448.593 0.558 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595569674 MVIKPVGYTGQSHZ-INIZCTEOSA-N 430.513 0.719 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 1623295568 DLWFUZDHOBWFTM-AWEZNQCLSA-N 436.460 0.435 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1628786626 HESGHMQSOSDVJD-UHFFFAOYSA-N 442.501 0.539 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4nccnn4)CC3)CC2)cc1 1633774091 GWJVWIZVSPRHAC-UHFFFAOYSA-N 441.517 0.493 30 10 ICEE C#CCN1CCC(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1645781374 ILFZHTVIEIKAJZ-UHFFFAOYSA-N 431.562 0.970 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1653357328 IQQYYQKZELFKOM-KFZGLNKMSA-N 434.250 0.740 30 10 ICEE COc1ccc(CN2CCCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1656343004 GLBPAXKNAIICEO-SIKLNZKXSA-N 446.573 0.600 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1690072924 ZHVARAIGSDGXNC-UHFFFAOYSA-N 445.487 0.805 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1690103894 ITYQQFLMAYWYLE-IBGZPJMESA-N 441.488 0.735 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)CC)CC1 1690141737 BMUOPBIVWGSVCZ-UHFFFAOYSA-N 433.538 0.178 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1690725491 RUULTZPQUMYHPL-UHFFFAOYSA-N 433.600 0.595 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566460 OKYQDEXYXKURHY-BZSNNMDCSA-N 448.593 0.588 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)Br)CC1 1705633170 LENGIKBYQZKKIU-CYBMUJFWSA-N 431.360 0.552 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1705936462 RHAKPQRDOZZLCZ-OAHLLOKOSA-N 441.579 0.911 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1712563580 ZLLTWQOUEPWVEQ-NLWGTHIKSA-N 447.584 0.899 30 10 ICEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1731188534 AQJRZIYCAGKHEN-UHFFFAOYSA-N 425.497 0.797 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740992398 PCMNXEDFPYXQME-ARFHVFGLSA-N 446.595 0.642 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1748278472 NDHJYFQLEYYWFW-NRFANRHFSA-N 426.477 0.861 30 10 ICEE C=C(C)COCCn1c(C2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749227074 ZRROYMOXZGXNEI-UHFFFAOYSA-N 430.513 0.215 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750021064 NIYNPQCTPAXKBU-RJCBAWPRSA-N 443.508 0.413 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1760515271 URRZQLVMWOXSAQ-UHFFFAOYSA-N 430.488 0.579 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766387545 RPJSJFKVOQOEGX-DOTOQJQBSA-N 439.524 0.985 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1771537033 GNOFEKQXRNRIKU-CJNGLKHVSA-N 448.480 0.687 30 10 ICEE CC(C)(C)OC(=O)NCC#CC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2010131988 MMWOBQDPPFWYAG-UHFFFAOYSA-N 433.427 0.889 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248443336 MUKFEHUXALRYCC-GOSISDBHSA-N 440.331 0.570 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C(=O)O)C1 2255628234 FQLNXDHWOQTGSM-UHFFFAOYSA-N 436.274 0.513 30 10 ICEE Cn1ncc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829196 KSRPQJACIHBMEE-KBPBESRZSA-N 436.318 0.741 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2315539255 UGTVHSDEWLAENI-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccccc2)n1N 59914364 YVHFTRKJZOPVCD-KEBDBYFISA-N 429.510 0.974 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 508496107 CFUCWSXDTDVIAF-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 514474960 BOFBUOILGVVOOO-UHFFFAOYSA-N 446.598 0.723 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccccc2)c1=O 533120334 FMTRRIGMCSVXMI-UHFFFAOYSA-N 449.536 0.536 30 10 ICEE N#Cc1ccnc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1 585249450 MKEDIRFQFZOXHS-UHFFFAOYSA-N 428.470 0.878 30 10 ICEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCN(C2CC2)C1 609541165 JZHPAVUWCKPHFP-LJQANCHMSA-N 431.562 0.560 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 727415102 IMMXMMDTXIYEKI-UHFFFAOYSA-N 430.530 0.254 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 811727273 VWUYMHGQMWKEBV-UHFFFAOYSA-N 431.399 0.915 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1286608490 RSTVYDJJNPEDEH-MRXNPFEDSA-N 440.570 0.624 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286776598 MAHZGVISMQUMRI-INIZCTEOSA-N 440.570 0.463 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286785542 OCHWHYGRHQECMN-UHFFFAOYSA-N 440.552 0.330 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)C1 1286800067 FJIXKVYTPWWNFW-HUUCEWRRSA-N 442.586 0.832 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286824790 JJYOELDNSGBYMB-DNVCBOLYSA-N 441.554 0.233 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1 1297869480 UBQOIXFBKGIPBO-QGZVFWFLSA-N 431.518 0.919 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1300302693 CLCYSKJTAPCOJJ-ZDUSSCGKSA-N 429.506 0.943 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)CC1 1300698204 PMHGEPHZOFFCOL-FQEVSTJZSA-N 442.612 0.258 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N(C)C)CC1 1300729154 OUIZKBYJDBCVPK-UHFFFAOYSA-N 438.532 0.954 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1301554556 IGPSVIWROWOMSY-BZUAXINKSA-N 438.554 0.292 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC1 1309802671 WJIUBMHIMHKLBF-UHFFFAOYSA-N 425.454 0.788 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(CO)CC1 1316567434 LYGFWNAAQBYOEO-MXLIYFDZSA-N 430.509 0.907 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358962443 PRSYJLCRLLFXRW-OLZOCXBDSA-N 435.535 0.064 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(C)(=O)=O)CC1 1359033285 WUAMFZPNACAEAH-UHFFFAOYSA-N 433.534 0.762 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359291301 LKHBENMMQAHICX-OAQYLSRUSA-N 430.484 0.956 30 10 ICEE CO[C@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS(=O)(=O)C1 1439405492 HQZIWBSDXGHMHT-UGSOOPFHSA-N 425.894 0.884 30 10 ICEE C=CCOC[C@@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1448493168 HAGULIKVXHSQBO-ONSXPEOJSA-N 432.539 0.995 30 10 ICEE COCC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1464215521 NBUOFWGGZRCMOI-QGZVFWFLSA-N 427.461 0.517 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1 1469105363 BQGNGCJPFGOFLU-UHFFFAOYSA-N 437.518 0.700 30 10 ICEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)CC1 1473851292 CJKOPDUHPPKQCB-IRXDYDNUSA-N 431.562 0.420 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1507623308 QUHCVILLXKEROX-XUWVNRHRSA-N 443.595 0.876 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1507633849 JSSKCYMMHXULOO-QZTJIDSGSA-N 445.520 0.913 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1507748095 ZSZMVUILQBNNID-ZDUSSCGKSA-N 426.568 0.066 30 10 ICEE CCN(C)C(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515311984 FXRSSOPOSBXEGM-PGRDOPGGSA-N 445.568 0.974 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539066465 WAWZPZCAQHWMIO-NVXWUHKLSA-N 427.509 0.799 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539211006 INSFJBWCNGBMJN-MRXNPFEDSA-N 432.550 0.825 30 10 ICEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584122606 QBKQZADMZQNNLA-HIFRSBDPSA-N 428.308 0.685 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](F)COC)CC1 1588805976 DRZQBMYFQUOLBC-MRXNPFEDSA-N 449.556 0.978 30 10 ICEE CS(=O)(=O)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1611518463 XCJWTMVHMKVLJL-UKRRQHHQSA-N 425.894 0.837 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1611686308 DLKMQRUFLGQFQN-IHETXDGRSA-N 442.517 0.668 30 10 ICEE COCCOCCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1628147547 GGFBAOARACABOE-INIZCTEOSA-N 438.550 0.311 30 10 ICEE Cc1nnc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1C 1640525822 WHLXUACTFQVZHC-KRWDZBQOSA-N 436.476 0.549 30 10 ICEE C#CCN(CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1652832231 DZVHWROTNQVNCU-GFCCVEGCSA-N 441.531 0.393 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1689986698 VMVRTZFKEXBRER-INIZCTEOSA-N 426.506 0.649 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2COC)CC1 1690112451 YCULCDAESLCWSN-QGZVFWFLSA-N 446.577 0.838 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705908047 GJFMIEJLDXTDOU-HKUYNNGSSA-N 447.584 0.496 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1705940064 URQJSKCAMXUVEC-KGLIPLIRSA-N 430.600 0.770 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1706074851 FYIUUBCQDGRDJW-CVEARBPZSA-N 441.602 0.795 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCS(C)(=O)=O 1706599232 JXVIMTYQALKCCW-UHFFFAOYSA-N 426.543 0.608 30 10 ICEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722361225 FYYQTGQUOUKRHE-OAHLLOKOSA-N 445.501 0.437 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1722378868 IMHSWZMCFBRVDA-HRAATJIYSA-N 442.545 0.851 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)COCCO2)CC1 1722565560 AAFASUOTJWNMNH-VQIMIIECSA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722699489 VIBDSOKOQMYOFN-KRWDZBQOSA-N 431.541 0.812 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1723564039 JKDJGAQOKZWPMD-DRRXZNNHSA-N 439.520 0.962 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1730827765 WMQGXZPSXNUZBN-RDTXWAMCSA-N 427.527 0.292 30 10 ICEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1740567926 YAIPCQVZIFHVLF-UHFFFAOYSA-N 431.522 0.811 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740572005 XOUUILUCLBJBJF-MRXNPFEDSA-N 442.524 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCN(C)C2)CC1 1740706056 PGOPXDJAMJRVON-AVRDEDQJSA-N 430.553 0.552 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1748199911 NRGDQVAXPQPPOG-JXLCAQNNSA-N 443.508 0.271 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCOCC1 1748655722 DWMAFEWUENJMOH-INIZCTEOSA-N 435.492 0.628 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1748964973 OESSPDXJNAPAFM-KRWDZBQOSA-N 437.522 0.647 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2conc2COC)CC1 1749009009 KVECRJSYDFDAKP-UHFFFAOYSA-N 436.476 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(C)CN(C)C2=O)CC1 1760271678 GKTTVRRCCHWAIE-HSZRJFAPSA-N 435.532 0.708 30 10 ICEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C(=O)NC)C1 1760301834 LPNHGMLZYQQXKF-STQMWFEESA-N 432.319 0.862 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760527552 AGPGRVHQZVLLQE-OAHLLOKOSA-N 449.533 0.791 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1760549225 ZKTOYCMGHNYAEG-UHFFFAOYSA-N 440.526 0.003 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNc1ccccn1 1761501647 IZZJDFSMXQSODW-GJZGRUSLSA-N 434.526 0.514 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1772564553 BLQPCUCQUFFRJW-QGZVFWFLSA-N 435.554 0.743 30 10 ICEE Cn1ncc(N2CCC[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)C2)cc1=O 1852054353 HEAVCSGIKKLHBE-NSHDSACASA-N 435.428 0.867 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)CC1=O 1856472420 CPZIFBCTIFZCAL-YJBOKZPZSA-N 437.562 0.580 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2258276491 MVLNZVAIAPJUDV-UHFFFAOYSA-N 439.318 0.292 30 10 ICEE C[C@H](NC(=O)[C@@H](C)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 533223924 AQWORHWFIFXBSZ-JKSUJKDBSA-N 442.545 0.989 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CO)CN2CCOCC2)CC1 559258468 UOZABKIKQWWGSM-INIZCTEOSA-N 429.477 0.832 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 563474803 UMWJJVOOKLIVOL-UHFFFAOYSA-N 428.308 0.948 30 10 ICEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 610596432 BYKPPVPLACEWCF-LHSJRXKWSA-N 441.492 0.976 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(Cc2ccccc2)c1=O 611078481 HBNSKEBZKZMTFR-UHFFFAOYSA-N 437.525 0.440 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cn1 735068467 CIJWJEWFQWXKDQ-INIZCTEOSA-N 427.530 0.477 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 765351540 VEYHCXSNLBXIBV-UHFFFAOYSA-N 432.477 0.899 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1F 800668378 UDXRHSXHYYQMSD-HIFRSBDPSA-N 433.527 0.738 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 1141056295 OYURVEGEUDYEEC-OAHLLOKOSA-N 425.507 0.556 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1155494794 QSMLFTWRBQDPMK-QGZVFWFLSA-N 434.537 0.738 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300492862 PNIRWKRYFSWSJX-DOTOQJQBSA-N 429.502 0.610 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1300848353 FFEZJTVJQDKWAK-LBPRGKRZSA-N 432.344 0.791 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1300991924 YALZOOBVOBNFKR-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1301258375 QYWSONYAQFCSJN-IXDOHACOSA-N 443.570 0.817 30 10 ICEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)NC 1358952164 ZNSKVDQVRYZNNI-UHFFFAOYSA-N 445.593 0.261 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358965694 ZHUMAIBJEOUBBZ-KRWDZBQOSA-N 444.561 0.663 30 10 ICEE CNS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1449416052 RTVDXVDBBINBLC-XAUUPUKJSA-N 441.554 0.382 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507634854 NSUITCDFIFDSJJ-XLIONFOSSA-N 447.586 0.759 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1519398953 OHFQSGQLXYZETI-UHFFFAOYSA-N 434.522 0.561 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539216355 QVBMEPFGMSDVQP-GMYLUUGSSA-N 434.547 0.273 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1539284874 CQSDJUMNIQFEKK-JOCHJYFZSA-N 437.525 0.973 30 10 ICEE CC#CC[C@H](CO)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1557362096 GKFDDOLMBWQVQD-OAHLLOKOSA-N 435.502 0.660 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 1560022812 GQVADQCFAUYJRR-FQEVSTJZSA-N 430.528 0.739 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)CC)CC1 1588898943 IKWDTFRASFTXLH-UHFFFAOYSA-N 448.549 0.752 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1595555463 AGPQTBYWQKAJOU-UHFFFAOYSA-N 430.484 0.781 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595799308 YPORURXYWUPDLV-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)ccc2c1=O 1629568056 QFZKYVBPXKVOOX-JKSUJKDBSA-N 435.527 0.899 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)cc1 1647765356 KYRUGDOSLHALKW-CYBMUJFWSA-N 435.893 0.756 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1 1668145079 JZGSBWOPPBXWTE-QGZVFWFLSA-N 435.550 0.316 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1689991652 AZHWDXABQMZFEK-GJZGRUSLSA-N 436.538 0.092 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1690104093 MEZXPJSWDQNLRT-IRXDYDNUSA-N 441.554 0.266 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 1690595241 RREXUYBQZPADQG-OAHLLOKOSA-N 444.579 0.298 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690668276 YWVBBGNULATXKH-CVEARBPZSA-N 429.525 0.943 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1705628351 DODKYVANBZPXLS-QGZVFWFLSA-N 440.566 0.709 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)C(C)C)CC1 1705647412 DIXPJAZTMDBVIX-GOSISDBHSA-N 430.553 0.910 30 10 ICEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705661337 ZAUCAJXASBSHPX-UHFFFAOYSA-N 434.610 0.824 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1722389584 KAUQLBIANUVTAJ-IAGOWNOFSA-N 429.550 0.810 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCOC2)n1 1740689481 XIDWOIVPEGFHPB-FUHWJXTLSA-N 427.509 0.748 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@H]2C)CC1 1740690000 MFAKXGQBUNSILG-GOSISDBHSA-N 438.536 0.401 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1740941174 DJIDLGJWQLBGFM-LBPRGKRZSA-N 427.449 0.812 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740957590 TUAALWWCHLTYEW-HNNXBMFYSA-N 426.481 0.059 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740960436 RMCTVGFFUXYDSL-MRXNPFEDSA-N 440.504 0.752 30 10 ICEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1743354275 AUHBYKSEWXCCPC-OAHLLOKOSA-N 431.518 0.982 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1748639447 HLPXLZMVRVGRKH-KGLIPLIRSA-N 426.543 0.825 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N(C)C)CC1 1748972466 KISIZXMMWAULDS-IAGOWNOFSA-N 449.581 0.539 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)NC2CC2)CC1 1748973071 WPWQVWNZSFYZPQ-UHFFFAOYSA-N 436.520 0.739 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)CC1 1760259999 SXGNUCAFEVWPQG-UZLBHIALSA-N 449.602 0.905 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760272719 SWPKGUFHOYTCCR-CQSZACIVSA-N 434.547 0.915 30 10 ICEE Cn1cc(C(=O)NCCOCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653343 HRQWVMGYIMZJGE-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE Cc1c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255825386 YEIYPEZDOGEXDI-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2337021338 BWNVPKWJJPVPPL-NUJGCVRESA-N 449.357 0.864 30 10 ICEE Cc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1S(=O)(=O)NCC#N 482214134 TYIPIKCLRMNFDL-UHFFFAOYSA-N 429.502 0.959 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 544660812 PCOUHPGJCONOCV-UHFFFAOYSA-N 432.546 0.521 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCC(=O)NC1CC1 732707303 ZNYGZLJWKCIPOI-QGZVFWFLSA-N 441.488 0.490 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1 734267295 DIZAFAFWHWTFKF-KRWDZBQOSA-N 432.447 0.190 30 10 ICEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1N1CCCS1(=O)=O 741095748 LMMSUPBTICNLOD-KRWDZBQOSA-N 431.518 0.672 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793467094 IHCHUPUIGDJTPH-UHFFFAOYSA-N 433.493 0.810 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)CC2)cc1 1141413651 CFTOFEZGAMECHY-GJZGRUSLSA-N 444.435 0.706 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)s1 1169903885 HVQDMWVUQHFVMR-HNNXBMFYSA-N 427.548 0.651 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286478350 AKLXPDJXBQUKLF-UHFFFAOYSA-N 444.561 0.343 30 10 ICEE CC1(C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1289024202 XLOQHSPOUZQFOR-VLGSPTGOSA-N 443.508 0.656 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1300466346 WPJDXNHSQIIOFK-GOSISDBHSA-N 449.533 0.768 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(N)=O)c2)CC1 1300683697 RMBNYYLVLWTCEJ-KRWDZBQOSA-N 426.521 0.905 30 10 ICEE CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1316384821 BQGMXVVVWBPAGF-MCIONIFRSA-N 430.556 0.091 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)CCOC1 1360347243 FLQQHAJMVOEIFG-OXJNMPFZSA-N 434.497 0.890 30 10 ICEE CCOC(=O)CON=C(C(=O)NCC1(O)CCN(Cc2ccccc2)CC1)c1cc[nH]n1 1451565945 AIBMNKAUGLIHKR-UHFFFAOYSA-N 443.504 0.837 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1503373822 GHOSHZKCMFUWAJ-UHFFFAOYSA-N 439.476 0.896 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1503836761 NCKSBRRNCBCPTA-UHFFFAOYSA-N 441.521 0.416 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1507588241 HWAQWWZKPMSTNZ-CABCVRRESA-N 425.511 0.024 30 10 ICEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507965007 OOCSRSCALRCHHA-UHFFFAOYSA-N 431.545 0.795 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1508097238 GOEBPNJLWKPYPA-NRFANRHFSA-N 444.540 0.741 30 10 ICEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1531710051 MJPCNVBJLSCLFZ-QYWGDWMGSA-N 428.445 0.942 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC(=O)N2)n1 1539423659 BNLJJFSIGKRZAP-QZTJIDSGSA-N 441.536 0.933 30 10 ICEE C=CCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861620 ZGYGVSUUXMMIMA-ZNMIVQPWSA-N 445.524 0.382 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1540861968 NIZGUOCZOCBYPE-UHFFFAOYSA-N 443.552 0.798 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540873065 LKCSZOROLKFSKC-UHFFFAOYSA-N 438.492 0.087 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541277949 USSXPLHNFRZBQA-SJORKVTESA-N 428.541 0.568 30 10 ICEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555263835 WTPXUFNQBCWMSZ-MRXNPFEDSA-N 430.488 0.994 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1cncc(C#N)c1 1558449945 NYZGJGZTPGBTGA-QGZVFWFLSA-N 430.486 0.811 30 10 ICEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1568817101 LKEAKFFDNDJWRH-BLLLJJGKSA-N 431.511 0.961 30 10 ICEE COCCN1C(=O)c2ccc(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)cc2S1(=O)=O 1583197363 CBTFUOITPMKZFF-UHFFFAOYSA-N 440.437 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1587641274 YVBLBMJTVFLEHX-RDJZCZTQSA-N 435.554 0.435 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1588646412 JRDURBFMVRFJIA-IAGOWNOFSA-N 441.554 0.124 30 10 ICEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)OCC 1589372233 WICUHNCEUQCAEA-OAHLLOKOSA-N 432.520 0.383 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595577261 MVAUAYNSZVRWQP-ZDUSSCGKSA-N 431.522 0.239 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595784893 MPXJYNDYLFJWOE-WMZOPIPTSA-N 449.581 0.436 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1611778318 HEBXXRWACCLCAL-NJNPRVFISA-N 440.504 0.970 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)n[nH]2)c1C 1618476892 UTUKIAXNYYQGLA-KRWDZBQOSA-N 441.536 0.739 30 10 ICEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 1654149233 ZPFBUNRNAQYHIG-QRWLVFNGSA-N 430.530 0.918 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 1665174824 LLONILJMCDDHQO-IBGZPJMESA-N 436.578 0.677 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1683595625 ZQVBCHDZUQLSHE-KRWDZBQOSA-N 434.537 0.880 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC)C1 1690699325 CQZBCUFQDYPMEB-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)CC2)nc1 1698488343 OCQIZMSTZGSODH-KRWDZBQOSA-N 440.508 0.221 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1705558562 BFXWIHPFISOFKD-MRXNPFEDSA-N 433.538 0.308 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1705906481 GWSOBOCWXHWNGH-GOSISDBHSA-N 426.521 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705937456 UKHYFNZFHKXFAR-MRXNPFEDSA-N 432.506 0.506 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722725783 RVYDLLFLLJVAMD-MRXNPFEDSA-N 447.565 0.925 30 10 ICEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1729325152 AKKYKNPEZNKAPQ-JKSUJKDBSA-N 438.554 0.020 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730945898 ITTINKIDBWFRRD-WFTHSTBKSA-N 435.460 0.432 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740951391 XIPGDMQLEZVCHT-OLZOCXBDSA-N 430.431 0.972 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740959920 HFJOXOWIBQPCEC-ROUUACIJSA-N 429.525 0.803 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1Cc1ccc(C#N)o1 1741941823 POXJEXJXOGSLOS-AWEZNQCLSA-N 433.538 0.933 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1747974361 XWGKMGBKVIOIGD-MRXNPFEDSA-N 445.549 0.717 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748817636 NJDYYYSXWFHPIX-HUUCEWRRSA-N 446.620 0.560 30 10 ICEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1751405985 DXVRVRNEQIVHDC-KRWDZBQOSA-N 434.522 0.752 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1760189470 UTUOLYKSKIHGSM-GJZGRUSLSA-N 425.580 0.999 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763813113 GHCALVQALONYEQ-SIRIWSTISA-N 445.524 0.659 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1768296322 AJMJRZHRNGSFMB-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(OCC)c1 1865722100 JZYXOGDIJICNES-AWEZNQCLSA-N 428.445 0.185 30 10 ICEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867613701 TWAYPLBVUKBUTI-MSOLQXFVSA-N 430.486 0.838 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402688 ZTGGFPHQPPWMLN-QWRGUYRKSA-N 440.331 0.880 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 72443798 JPRSGDNZWRDKAF-ZIAGYGMSSA-N 437.416 0.604 30 10 ICEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 111047524 JEUKXHACHKJYTD-KRWDZBQOSA-N 441.575 0.778 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478758303 UGLUOMFYWPCAEM-INIZCTEOSA-N 429.546 0.894 30 10 ICEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 506210195 YXCKOKIKVLCEND-OAQYLSRUSA-N 430.509 0.893 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 514646406 XFNMWAXZJAWFNE-MRXNPFEDSA-N 428.514 0.140 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCOCC4)n3)CC2)n1 561890368 SQQIJNZOSBXZGQ-UHFFFAOYSA-N 435.488 0.150 30 10 ICEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 604484521 CHXTWPBQGVCKCK-UHFFFAOYSA-N 437.504 0.159 30 10 ICEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cn1 732796546 GRHPXPOLQLDRAO-UHFFFAOYSA-N 427.530 0.648 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 751974491 OURHNEADJFDJNC-WMLDXEAASA-N 427.500 0.364 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 813565376 ZOZDWRFTKURCNF-BLLLJJGKSA-N 449.533 0.549 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 916778309 YIEUZMRTLTXABN-UHFFFAOYSA-N 449.510 0.839 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286808834 YOAQWLDTALNPHQ-GOSISDBHSA-N 447.561 0.985 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1292133168 FWWBETKRTGBJHR-OAHLLOKOSA-N 438.554 0.893 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1296305860 AIQADECAPWDKOK-UHFFFAOYSA-N 446.537 0.217 30 10 ICEE CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1300414043 DHUGKAGEUXYWLK-UHFFFAOYSA-N 437.504 0.629 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccn(CC)c2=O)CC1 1300683119 WSGCRIRVKOACJL-UHFFFAOYSA-N 446.515 0.911 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCOC)CC1 1301087027 RYYDDJMQTACWTD-KRWDZBQOSA-N 443.570 0.821 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1303950312 FMYHIKXLVJRLOK-OAQYLSRUSA-N 440.504 0.972 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1305117147 HVAYCFHGXNCBSQ-MAUKXSAKSA-N 426.477 0.811 30 10 ICEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316044904 FMSHBXIJNAOJQQ-UHFFFAOYSA-N 441.540 0.677 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(C)c2)CC1 1359179262 PVFDIYVZVIOPHX-QGZVFWFLSA-N 435.554 0.795 30 10 ICEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1452770251 SUKCVYJMSUNNIF-INIZCTEOSA-N 432.424 0.642 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507629783 PZJCNYVNVHUVOQ-UZLBHIALSA-N 433.534 0.716 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1 1540865124 WGTNKHLHALFSES-UHFFFAOYSA-N 425.449 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540901372 BFTQXFBXQGWXGL-MRXNPFEDSA-N 435.554 0.584 30 10 ICEE C[C@H]1COCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1541925484 DEFGTDPVVOPGCP-JKSUJKDBSA-N 439.586 0.739 30 10 ICEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555816953 GSXUYVRQVZUTTM-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588024988 QXPMYBCFUVWERG-JKSUJKDBSA-N 425.555 0.858 30 10 ICEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1588263396 UECVJGQPJVZCNX-UHFFFAOYSA-N 438.941 0.870 30 10 ICEE CO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619493685 WSNBEXYHCADZKF-OHTQGHCMSA-N 431.497 0.558 30 10 ICEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1634011906 YGCNKBRRYAMHOY-UHFFFAOYSA-N 432.546 0.321 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)cc1 1640128225 GRKISNZMGYUHGB-QYZOEREBSA-N 425.489 0.821 30 10 ICEE N#C[C@@]12CN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1645267986 WBUFZORXCXRUJJ-RTHLEPHNSA-N 442.366 0.842 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2C(=O)CNC2=O)cc1 1649080085 BQYVBMNNLMFOFD-UHFFFAOYSA-N 441.469 0.093 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689990741 RHHJNYCUBTWUOE-CVEARBPZSA-N 437.566 0.571 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1690464529 DLZWKGPWUFAIFI-MRXNPFEDSA-N 440.570 0.669 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1693920233 ZCIZFBNOZOWSFJ-JGWKNBOWSA-N 445.549 0.869 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1705494979 JAEYIDBKJMTBFU-RHSMWYFYSA-N 446.533 0.216 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705747139 GQXHVTHRNXSXSK-NWDGAFQWSA-N 425.964 0.654 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705830924 YERGIJSQLPHDEJ-BEFAXECRSA-N 425.555 0.735 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1722351058 GDBOQGUXKWIMDL-HNNXBMFYSA-N 438.579 0.942 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740617426 QYXSZGFEUMXQOJ-XLIONFOSSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627791 SMXCPNRLBUROGG-CHWSQXEVSA-N 449.455 0.087 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740951030 APRVZBDANXUGRX-ZNMIVQPWSA-N 426.543 0.196 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1740993279 VXRBORBZVDOPNC-CABCVRRESA-N 435.554 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1749015607 YSSFLIFIFXGPPZ-KRWDZBQOSA-N 430.553 0.910 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1749488384 JOGRLAGTXBRKDL-DLBZAZTESA-N 426.587 0.965 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749668617 AYYHHMMZEJDXFJ-HOCLYGCPSA-N 433.538 0.557 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760351039 AFMHSBSXIDDVQQ-QGZVFWFLSA-N 434.541 0.837 30 10 ICEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760438929 RHIMJAJSEZBQEW-MRXNPFEDSA-N 444.540 0.953 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760524717 HCDNYDHOXUHCSO-UHFFFAOYSA-N 430.484 0.605 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2247136610 RRWYBUCJWFNTCH-CQSZACIVSA-N 444.529 0.938 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508855238 GNBCOSWMOXYJBI-MRXNPFEDSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 533226438 YGUWAJUGTHZUPJ-UHFFFAOYSA-N 426.514 0.331 30 10 ICEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 603797963 OZTKHYQLPSIGHQ-UHFFFAOYSA-N 432.505 0.964 30 10 ICEE COCCOc1ccc(-n2nc(C)c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)cc1 735054412 DCNGOAPGKRIZPQ-VZCXRCSSSA-N 440.460 0.857 30 10 ICEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1OC 751554437 PAQKCHQAUQDDGR-UHFFFAOYSA-N 440.525 0.594 30 10 ICEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1 782897822 JSTYLNIYPKNEQN-INIZCTEOSA-N 444.565 0.972 30 10 ICEE C=CCn1c(SCC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)nnc1-c1ccc(Cl)cc1 1149178508 DXVFMACQLPXDAR-KBPBESRZSA-N 448.936 0.922 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@H]1c1cnn(C)c1 1150664794 DHZYZEXRQZXPFD-VAMGGRTRSA-N 438.488 0.382 30 10 ICEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C1CCCC1 1252479564 PFSGWDNHBAJGDT-GOSISDBHSA-N 449.581 0.740 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)CC1 1286482761 YKSQUJPLEWQSTP-UHFFFAOYSA-N 436.564 0.183 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286824789 JJYOELDNSGBYMB-BEFAXECRSA-N 441.554 0.233 30 10 ICEE CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1296951383 BTFPWEXNIXYYRY-UIMIYHRKSA-N 430.506 0.260 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1300365283 SJOBQLIMBYWCPR-QGZVFWFLSA-N 425.555 0.623 30 10 ICEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301606852 DXUARVINAHPQKB-LJQANCHMSA-N 438.536 0.999 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1315928898 BGHDVPKKFBDYDM-LPHOPBHVSA-N 440.504 0.916 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1359025990 GFUYNWIOLGHXGI-GOSISDBHSA-N 439.563 0.269 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1359049191 KEPMBYFMLJMOGB-KKUMJFAQSA-N 431.584 0.495 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 1434894472 LZZNXZPJFHPILO-YADHBBJMSA-N 441.528 0.740 30 10 ICEE CC[C@@]1(C)CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1497592406 YPXCNHAQESOGFX-LAYTVVDLSA-N 445.524 0.948 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1507564867 YLIGBOIOOHFOGP-JKSUJKDBSA-N 438.554 0.116 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCOC2)CC1 1507734537 YWITYXDJHBNPFK-KRWDZBQOSA-N 428.537 0.907 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508092564 RHYCLZMTPZNKMQ-QGZVFWFLSA-N 431.541 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1508144097 ASBVFJVEYMMBOB-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539216803 XKPWOSFEBDRRFP-MRXNPFEDSA-N 440.533 0.944 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1539526629 RBUMVBDJCYQORE-UHFFFAOYSA-N 426.550 0.884 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1540869689 UQDSNPKUUQMDBG-OAHLLOKOSA-N 437.504 0.967 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1545920845 AZEUZOFDTOCZCU-JTSKRJEESA-N 442.568 0.851 30 10 ICEE CCOCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1548113560 BUPBNGCMEPLVLK-KBZZJAQTSA-N 431.497 0.303 30 10 ICEE C#C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1563878208 BKZOEXAWCMAENX-INIZCTEOSA-N 443.367 1.000 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588045693 OTXRFMJIZSYEHZ-TWOQFEAHSA-N 431.518 0.507 30 10 ICEE C#CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1636839165 VEDDOVOWKDIFFJ-CYBMUJFWSA-N 431.308 0.584 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1654717238 BWHBGSFMKHRITG-UHFFFAOYSA-N 439.313 0.380 30 10 ICEE CN1C(=O)C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1ccc(F)c(F)c1 1685336833 RUKODMHMQMJGEW-DOTOQJQBSA-N 444.398 0.637 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689996722 NCQRJYJKHFZJSB-QGZVFWFLSA-N 449.577 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1690001534 LSWQDJFPWLPTGC-ZWKOTPCHSA-N 436.582 0.462 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690722496 LLSHIYCRUATCIM-OAHLLOKOSA-N 425.536 0.564 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1698317163 IAVLTRFXFWRPER-INIZCTEOSA-N 445.505 0.397 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705590235 FZJGDSREDCOGGK-KKSFZXQISA-N 428.493 0.381 30 10 ICEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)CC1 1706936464 XGJVSGYCEASBIP-UHFFFAOYSA-N 438.554 0.705 30 10 ICEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCN2C1=O 1710172894 IMEAKZJDPDAXNE-MRXNPFEDSA-N 436.476 0.378 30 10 ICEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722361224 FYYQTGQUOUKRHE-HNNXBMFYSA-N 445.501 0.437 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1729342837 JNQKCYYEPDUWNS-IRXDYDNUSA-N 443.533 0.423 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CCO1 1729680527 GSBDUVRCXYZTSX-GOSISDBHSA-N 441.561 0.817 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740625016 LWYPCKCXUAHMHI-LAUBAEHRSA-N 442.545 0.369 30 10 ICEE C#CCN(c1nnc(COCC)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628935 WPRLERMMECFCCD-HNNXBMFYSA-N 425.555 0.746 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1748860184 XMDALLDVUZNUGL-OALUTQOASA-N 448.593 0.416 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC(C)C)CC1 1748994823 SSQGJRSKKRMRMX-UHFFFAOYSA-N 429.550 0.549 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760565595 AJXAAICIZFEMGF-KGLIPLIRSA-N 427.552 0.740 30 10 ICEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1768012340 APVZZRKVXCQNED-OAHLLOKOSA-N 437.504 0.779 30 10 ICEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771346879 FWPQUETXMXMRRU-OHTQGHCMSA-N 434.522 0.695 30 10 ICEE CCN(C(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1858421762 DEICXMUBOOYJDP-HOTGVXAUSA-N 425.532 0.604 30 10 ICEE Cc1nn2c(=O)c(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)cnc2s1 1889497114 HHANOSXUMYUANS-UHFFFAOYSA-N 444.561 0.331 30 10 ICEE COCCn1c(C(=O)N2CCC(C#CCN(C)C)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1890118970 VWWBFOFBRDRNOR-UHFFFAOYSA-N 429.521 0.102 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2298372587 QUJSMCGWQUKXTB-QMIVOQANSA-N 426.319 0.926 30 10 ICEE COc1cc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)ccc1O 101443444 LXFSSCMDIJZZIG-SWLSCSKDSA-N 438.444 0.410 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c1 409575191 KLJMNCCYBHDOCJ-NSHDSACASA-N 438.491 0.092 30 10 ICEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C)c1=O 447278401 BKBLQAMISYKHFP-UHFFFAOYSA-N 436.335 0.505 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)o1 505612908 UORSFYSTVLLLTA-QGZVFWFLSA-N 430.509 0.074 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)c1C#N 615953984 HZOGAZJYNYPSIS-VBKZILBWSA-N 428.497 0.152 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(O)c2)CC1 685558530 MULGNLUBVTYJSC-SFHVURJKSA-N 448.549 0.829 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 730141904 LRUONGILIIUBEE-CVEARBPZSA-N 438.575 0.873 30 10 ICEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)s1 736581449 FRKBGMQLSXDAGD-CQSZACIVSA-N 430.555 0.944 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)C1 741210989 GBBRRAZPKPLISG-UHFFFAOYSA-N 428.493 0.681 30 10 ICEE CO[C@H](C)CS(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 764173634 PSBJMOKPJIFINP-TZMCWYRMSA-N 431.536 0.621 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)ccn1 795966717 MQOXYEBORDNHQN-UHFFFAOYSA-N 444.469 0.447 30 10 ICEE C[C@@H](CC(=O)NCC1(CS(C)(=O)=O)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1161925810 DPVXQKPLRNPJDB-ZDUSSCGKSA-N 427.548 0.835 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCC2)CC1 1286495272 ZCEGQSIZEZWCAQ-UHFFFAOYSA-N 441.580 0.851 30 10 ICEE COC(=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C 1295739369 KXTLQMRQYXYGEA-HNNXBMFYSA-N 436.534 0.601 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300394654 VAIDJHNZRZEETQ-LJQANCHMSA-N 435.492 0.676 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1301500511 MYDHWDRROUXLHP-HNAYVOBHSA-N 425.555 0.878 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1301509247 DIOYZZNQVRVRIP-UHFFFAOYSA-N 428.541 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1301578966 LCXWHXWSRRZEKB-KRWDZBQOSA-N 438.554 0.910 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1301579583 WWZCNCIAKORAIP-UHFFFAOYSA-N 436.538 0.179 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1359150853 HXXMEJPKKKNNLJ-QWHCGFSZSA-N 433.918 0.363 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359329963 ASCRMQQAJTURRQ-KRWDZBQOSA-N 445.549 0.981 30 10 ICEE C=CCOCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1464959857 PLCDTTBTXNNRKM-HNNXBMFYSA-N 431.536 0.866 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507634516 KVDPZAOARNEBEL-GOSISDBHSA-N 425.518 0.856 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1508131082 KIDFYYAJYLVWHP-INIZCTEOSA-N 438.554 0.220 30 10 ICEE CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1508813456 GAVAKWYAXOLSHA-CQSZACIVSA-N 425.559 0.791 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)n1 1511700718 VYUDMQLDTABKMG-UHFFFAOYSA-N 435.554 0.941 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1519161101 GVSJNCGZKFLXAO-HXUWFJFHSA-N 426.481 0.770 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537528769 HCPPBZXMKUWPFQ-HZPDHXFCSA-N 431.555 0.998 30 10 ICEE CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1555792308 BJWVRYYVLNKIAM-NVXWUHKLSA-N 447.517 0.993 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1558074988 LUZOPXUGGAQNFE-HXUWFJFHSA-N 430.574 0.901 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCC(=O)OCc2ccccc2)CC1 1564541648 FZABJNFAMKHNMP-UHFFFAOYSA-N 436.534 0.695 30 10 ICEE C#CC1CCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1618791783 MMJFVRVIJOIULF-UHFFFAOYSA-N 439.516 0.904 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1622506154 DGFUXMMMWKMTHG-QGZVFWFLSA-N 446.547 0.884 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)cc1 1634771985 VMVSWIJYTQSEGW-QZTJIDSGSA-N 431.470 0.388 30 10 ICEE C#CCN1CCC[C@H]1C(=O)N1CCN(c2ncc(I)cn2)CC1 1643192703 NYEKYVNOFZACRK-AWEZNQCLSA-N 425.274 0.827 30 10 ICEE COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1653217687 KGOPJBLERUNZQD-OAHLLOKOSA-N 428.507 0.436 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1 1689945662 HKIRUAFQKSMHED-CRAIPNDOSA-N 442.611 0.166 30 10 ICEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1689949177 STZQALGCRJGKNJ-INIZCTEOSA-N 442.339 0.665 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690310267 ZBSLHODNMPUGHM-HNNXBMFYSA-N 426.543 0.340 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908598 DYHZMNTUWFONPZ-SFTDATJTSA-N 448.524 0.652 30 10 ICEE CC(C)Cc1nnc(N(C)CCN2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706382860 BEAXCCIJHOHVLC-VXPUYCOJSA-N 431.541 0.771 30 10 ICEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1709464103 CEYUDKWLAWLGHP-ARFHVFGLSA-N 438.554 0.461 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNS(=O)(=O)CC)CC1 1722440390 IKNAJGRZDYEAHZ-UHFFFAOYSA-N 430.578 0.758 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722447668 LOKDBBABTRCOMD-MRXNPFEDSA-N 448.593 0.793 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)(F)F 1723960719 UTKMCHOAABJZBS-QWRGUYRKSA-N 426.421 0.544 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC(=O)N(C)C)CC1 1740699803 USXLZCXBZKBNQU-UHFFFAOYSA-N 443.577 0.893 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740961837 ZMCSYLQCCICJAP-CYBMUJFWSA-N 431.447 0.663 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740981702 QIZDEZBIJNDKGJ-GOSISDBHSA-N 447.561 0.985 30 10 ICEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760139735 NCZYSPWIIALTCT-INIZCTEOSA-N 427.534 0.584 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191352 FYRKNFUNMNDBDT-UTKZUKDTSA-N 449.577 0.842 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1760522261 PDGIPFBVHLNZHX-MRXNPFEDSA-N 438.554 0.460 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1766723550 TVCCXPFWRXBWLH-HZPDHXFCSA-N 446.489 0.870 30 10 ICEE CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1770640710 HJQTUJIUVCZYCX-JYTLGYECSA-N 443.508 0.617 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1771111903 ACQGWIJVNYXWJJ-WMLDXEAASA-N 429.568 0.415 30 10 ICEE N#CCCN1CC[C@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1855045613 JZRLUZHVUZEVRJ-INIZCTEOSA-N 438.937 0.772 30 10 ICEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933741 OBDAACBDFQOSMR-OAHLLOKOSA-N 438.575 0.976 30 10 ICEE Cc1c(S(=O)(=O)N2CCC(COc3ncccc3C#N)CC2)c(=O)n(C)c(=O)n1C 1892136753 YPIOISQDXLFDRG-UHFFFAOYSA-N 433.490 0.139 30 10 ICEE C=C(CO)C(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2069385200 KSDTVMYGKXHKCB-FCRQHZQGSA-N 438.429 0.160 30 10 ICEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2259118129 KKAZBVQUWZOYKC-UHFFFAOYSA-N 436.318 0.763 30 10 ICEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 409528603 LNCYSLHYIDUNOB-HNNXBMFYSA-N 425.536 0.591 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 467667255 LDMFAVNJVXYOKM-NXOAAHMSSA-N 425.551 0.341 30 10 ICEE C[C@@H]1CN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(CCO)[C@H](C)C3)c2)CCN1CCO 490072634 BZTFJBUSNBOGTP-IAGOWNOFSA-N 432.525 0.472 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 576365569 YGTBTJMSRSXEOO-SJLPKXTDSA-N 449.581 0.990 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 603798245 LEQFSQMUGJJBFA-QGZVFWFLSA-N 427.526 0.663 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCN1C1CC1 732708118 NBBZJEHGZAHEHU-HNNXBMFYSA-N 430.896 0.413 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 771187901 DYSBCTPCLQNCDE-AWEZNQCLSA-N 426.454 0.707 30 10 ICEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 774770840 RUMRBRQESXIPFM-ZDUSSCGKSA-N 425.511 0.860 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 790163254 QTJPCMRDTTZRKS-GFCCVEGCSA-N 435.907 0.946 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1286271277 REDIZQRNVXZSJM-MRXNPFEDSA-N 430.534 0.951 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286820294 IWMBZXXCLOHVDL-KSZLIROESA-N 441.598 0.928 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1288825108 AUZZUCZXNUGTRP-PMUMKWKESA-N 436.517 0.789 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1300732758 OHBMCHWPCICTGT-UHFFFAOYSA-N 428.584 0.254 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1301152554 ZUBHHLXVMFAUFC-CABCVRRESA-N 440.570 0.525 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1)C1CC1 1301327543 VENVCRFJPHOILE-HOTGVXAUSA-N 427.527 0.181 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1303837689 ZFRWBZVQJNPXFS-MPGHIAIKSA-N 444.533 0.773 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)C1 1303939280 CAMFMOBBQOADBI-QFBILLFUSA-N 440.570 0.904 30 10 ICEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC1 1313281010 CRAGCQDTNPZKFR-BBRMVZONSA-N 432.568 0.207 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cn1 1324408154 GWLRRGQWYSARKH-HNNXBMFYSA-N 439.563 0.938 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)cn1 1324408156 GWLRRGQWYSARKH-OAHLLOKOSA-N 439.563 0.938 30 10 ICEE C#CCn1ccc(CN(CCOC)Cn2nc([C@@H]3CCS(=O)(=O)C3)n(C)c2=S)n1 1339455966 XWQDXJJPUCASQH-OAHLLOKOSA-N 438.579 0.789 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358964148 URFHOZJYPRPGJV-DOTOQJQBSA-N 433.538 0.170 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1359299398 DHBDWAMWVNZADK-OAHLLOKOSA-N 447.540 0.631 30 10 ICEE C#CC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1472246720 PUGGZKSLWGGRQL-UHFFFAOYSA-N 447.557 0.630 30 10 ICEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)C1CCOCC1 1479008775 DUPVCCAZVCGZKV-BBWFWOEESA-N 441.550 0.843 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1503103166 GRVBGGLQDXRPQD-IIBYNOLFSA-N 427.509 0.948 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1503839873 RAVYCFGDKQWBJL-GJZGRUSLSA-N 434.522 0.892 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507589217 UXKBRCYNBMTRNN-KFWWJZLASA-N 439.494 0.139 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507631015 AZBMUKMOJMGHTH-ULQDDVLXSA-N 434.566 0.198 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNS(C)(=O)=O)CC1 1507734474 NTBHIIJSEXHOKP-UHFFFAOYSA-N 448.549 0.752 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508096225 DCMZHJHXURXLOU-BJLQDIEVSA-N 448.568 0.463 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1539333601 HGOOAXWARYCCHQ-HXUWFJFHSA-N 430.534 0.152 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1539369346 KHLUVEWMYJCBFL-ZDUSSCGKSA-N 443.480 0.710 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1557144380 MELJFQXOHFOLGT-MRXNPFEDSA-N 434.495 0.824 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCO[C@H]2C)CC1 1588891310 NOOHIZAIHCRGJU-PNLZDCPESA-N 449.552 0.508 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1595522309 BPTGUWDYMATMIF-IAGOWNOFSA-N 443.552 0.953 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595544275 GONAGYCWZCZKTI-MOPGFXCFSA-N 431.585 0.689 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595789550 WROMVYWJPWNXFM-HNNXBMFYSA-N 432.506 0.890 30 10 ICEE N#Cc1c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)[nH]c2ccccc12 1596758119 JZNPXINMHHZNJG-ZDUSSCGKSA-N 436.515 0.314 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1 1635131864 RFHWGTRHUTYEBS-UHFFFAOYSA-N 446.407 0.906 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 1636304203 JFNLJANLFAXYBO-BPQIPLTHSA-N 438.546 0.960 30 10 ICEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1648231449 ZHPMLQGMOVZTEA-UHFFFAOYSA-N 440.504 0.707 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[S@@](=O)CC)CC1 1690150703 QWOJWKBCLWVRGF-PMERELPUSA-N 428.562 0.998 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690672728 BBFHMRJBUDAJQL-SFHVURJKSA-N 446.577 0.998 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1690676851 GPHCDUWSFFJNJP-UHFFFAOYSA-N 428.493 0.836 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692507519 VJLKEKZOKRGZSF-UHHPSXQGSA-N 445.524 0.806 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1698301608 HRUIEZSCGHDFEE-UHFFFAOYSA-N 428.518 0.968 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1698313730 NOGPNRKGSXUUMA-YHUYYLMFSA-N 442.517 0.478 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@@](=O)CC)CC1 1705634383 UACLFAPVDRCVQV-LJAQVGFWSA-N 449.602 0.872 30 10 ICEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705751249 FHHCBYYLWZDBBT-UHFFFAOYSA-N 447.927 0.544 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1705902506 GFKQBDDQEJMMRH-SJORKVTESA-N 436.582 0.547 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N2CCOCC2)C1 1705916204 ITDNTGGXWZVPGT-LAUBAEHRSA-N 435.525 0.570 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722360040 CHCHJLKCADILTP-QFBILLFUSA-N 433.559 0.835 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740622479 DFDWTODQPIQBAM-LSTDLKDCSA-N 449.577 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)CN(C)C2=O)CC1 1740705899 NWSJIBZYOFGJMU-JTSKRJEESA-N 428.537 0.964 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740990556 CBUPVHWLIORNCE-VCBZYWHSSA-N 439.538 0.214 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748810574 XRSGNUWAWLQSBN-PKOBYXMFSA-N 446.529 0.996 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1748816086 WRNVIANRKKVINP-ZACQAIPSSA-N 426.539 0.808 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnn(C)n1 1748851517 GVNJFPGVQSGUMA-UHFFFAOYSA-N 444.547 0.287 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1749665709 AHNNXXFGFAULEQ-CYBMUJFWSA-N 438.492 0.714 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCOC2)c1 1760128155 ABSMJVBQZOXUGF-VGOFRKELSA-N 438.488 0.437 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1760441127 YLGPTBPKVIKKLJ-MRXNPFEDSA-N 426.543 0.246 30 10 ICEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760449022 XOXFSOIRLJPNLH-UHFFFAOYSA-N 426.485 0.201 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760526703 RUSXBDGNTWBGMX-GOSISDBHSA-N 442.520 0.727 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1770751755 MGCXUMUXVOGHHY-HUUCEWRRSA-N 442.567 0.237 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)C(C)(C)C2=O)CC1=O 1854771980 LOHQAKVNTRFBIC-AWEZNQCLSA-N 437.493 0.998 30 10 ICEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1855724777 KEEWVGGRBKYYBC-MRXNPFEDSA-N 434.518 0.542 30 10 ICEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870541438 FIMZJCMCABAXHI-LJQANCHMSA-N 432.521 0.372 30 10 ICEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870560473 XYTVWFYUCVILRZ-UHFFFAOYSA-N 431.533 0.922 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cc(F)cc(F)c1 72443905 AKKALIASYOTKSF-KGLIPLIRSA-N 428.399 0.974 30 10 ICEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)cc1 436095741 CHDUZJONPGBTRT-UHFFFAOYSA-N 428.470 0.815 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 514522872 LLLMEFLLKMOJHM-UONOGXRCSA-N 433.555 0.804 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 549263083 BPECYFBOEWUNDQ-MRXNPFEDSA-N 448.553 0.304 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)O)cc1 560909367 KQXCAFFVZIFKIB-QFBILLFUSA-N 443.529 0.638 30 10 ICEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O 603800610 XCSLSUYKSILQAM-OAHLLOKOSA-N 445.566 0.821 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706766 OFIDGTWDVXFZRM-QGZVFWFLSA-N 431.518 0.630 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CCC)c2)c1=O 735068420 APZMJQJKLTYVSV-UHFFFAOYSA-N 429.571 0.781 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 747855419 NCAVQOAKWMZDAY-UHFFFAOYSA-N 428.942 0.650 30 10 ICEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771298788 XSQBFFZGZCQEDD-YCRPNKLZSA-N 449.529 0.972 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(N2CCOCC2)n1 774022418 GBIQMWBVWXUXLB-UHFFFAOYSA-N 429.502 0.663 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 781050947 IRVVYVZQBMWNLH-PZJWPPBQSA-N 436.516 0.973 30 10 ICEE COCCNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700408 QEAWUGRSVHFQAT-INIZCTEOSA-N 429.502 0.921 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 918818618 VZFWSSPIVBLQQW-JKSUJKDBSA-N 435.502 0.828 30 10 ICEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OCC)Cc2ccccc2C1)c1cc[nH]n1 1136537827 ZCNGHGRDDFMOAI-UHFFFAOYSA-N 428.445 0.910 30 10 ICEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1C 1159490467 QAYWZVPRPKNVJF-UHFFFAOYSA-N 431.474 0.141 30 10 ICEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1212406651 BOCMCASFZGXTGI-HUUCEWRRSA-N 428.555 0.977 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 1214458477 UUKKCASBEYSDTI-UHFFFAOYSA-N 447.439 0.596 30 10 ICEE CCN(CC)CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1253948337 CRJOBTKGHFGKOO-MJWGMMHASA-N 426.539 0.260 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)CC1 1286480389 NDHWJTKJNORCJV-IBGZPJMESA-N 445.545 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1301588830 KGNKIRJCQCYXLF-SHARSMKWSA-N 434.559 0.965 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C1 1312468097 BFJCNBXFZNRZCG-GJZGRUSLSA-N 442.538 0.735 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961159 SIQNJNPIOWOSMP-WMZOPIPTSA-N 429.550 0.702 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)n1 1359028357 PIRFTLGOVOLEFD-MSOLQXFVSA-N 443.508 0.127 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1359031109 QIUUPHPQECJJDO-NZQKXSOJSA-N 446.596 0.654 30 10 ICEE CCS(=O)(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1464160577 WLEXUNNCEKQOEF-QGZVFWFLSA-N 447.517 0.694 30 10 ICEE N#C[C@]12CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1472191576 HTAWJWRMMBSWKR-GHTZIAJQSA-N 446.529 0.338 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1505136583 CZWXFRIIMPVRLA-KDOFPFPSSA-N 439.517 0.238 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)CC1 1507739633 SEVAOSIGTVEONX-LAUBAEHRSA-N 449.577 0.715 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508072073 NVRLIEHGXKHUCK-MRXNPFEDSA-N 431.541 0.461 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cncn2)nc1 1539331392 OERCFVODVGPLCP-UHFFFAOYSA-N 429.488 0.887 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1539414271 TYFAYUPWZWTPBL-AWEZNQCLSA-N 436.314 0.974 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539983003 UFOFUCCIKYKIQA-UONOGXRCSA-N 434.588 0.325 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540864960 QCZYJUMGGJFEAT-INIZCTEOSA-N 440.464 0.712 30 10 ICEE CN(CC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554138246 FGNPGQXKRMWFMI-QMLLPTRZSA-N 427.387 0.754 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CCO1 1554442849 CYORCDGIERFWME-KRWDZBQOSA-N 439.476 0.610 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OCC=C)CC1 1558072836 FWDBFTHEWSUYMX-UHFFFAOYSA-N 429.502 0.663 30 10 ICEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1587989412 JCIMQORWXUPWHU-CQSZACIVSA-N 442.542 0.205 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1588387096 RKZOYYJFGVKQQQ-JKSUJKDBSA-N 445.536 0.996 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589070718 WYLCRXRRDQQWOL-DLBZAZTESA-N 439.607 0.851 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595550233 ALNBAZMLHOHCHG-YOEHRIQHSA-N 426.477 0.760 30 10 ICEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1617278977 INGYHFPBLPTRTK-LTRYHMRKSA-N 436.538 0.941 30 10 ICEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1OC 1619368249 FSOLRWLIFVJRLO-HZPDHXFCSA-N 447.517 0.974 30 10 ICEE COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1654572151 ICISPMXYLILSFZ-SPYBWZPUSA-N 430.505 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(OC)c(Br)c2C)CC1 1674842493 YPQPLMOFRKRPGS-UHFFFAOYSA-N 446.327 0.778 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683129974 GOSMBZKWKVIPAS-HNNXBMFYSA-N 444.554 0.301 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689989535 GNBDRZJFBUKHPK-ZQDZILKHSA-N 430.527 0.337 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(CC)n2)CC1 1690111505 CXPDDSIYIJGRGO-CQSZACIVSA-N 437.595 0.711 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1690660212 BOQLEAVRZOLAQH-OAHLLOKOSA-N 432.550 0.796 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCCCO 1705495282 NQKNJMNYKBXTPV-CABCVRRESA-N 431.584 0.185 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705901809 XFMLCKIEHXAFAL-LSDHHAIUSA-N 447.540 0.977 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1706864141 GMSDKZLUSZHAAI-ZDUSSCGKSA-N 446.599 0.842 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@H]1CCCCO1 1706889499 GCOHIIDCGJPRJH-ARFHVFGLSA-N 426.543 0.966 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1712648307 SMPWKUGOSHGAGV-YVSFHVDLSA-N 439.538 0.698 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)CC1 1722447192 GJQCEYAYZLYZHX-AZYRPFHASA-N 446.577 0.496 30 10 ICEE CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1728101586 JZSCWALWWDSMQJ-HFUDNHEJSA-N 436.538 0.943 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1740640862 XYCFYIIOTUTJFU-QGZVFWFLSA-N 436.501 0.277 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1740656194 IAGTVPRIJJECQM-GOSISDBHSA-N 449.577 0.891 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1740696389 SSFRSCQNJGBRLD-MRXNPFEDSA-N 427.596 0.051 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740888491 TWWDXNPRLYKTRM-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC)C1 1740954668 DLQJJTLFGWYLDV-MRXNPFEDSA-N 429.477 0.870 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741129611 FYQBXAUSTSNGKN-ZIAGYGMSSA-N 449.537 0.883 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ncn(C)n2)c1 1748690558 UYGXMNWTZKLDLG-UHFFFAOYSA-N 447.503 0.747 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748814613 HMJOSDSYPBAKRQ-KBPBESRZSA-N 435.506 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(C)=O)CC1 1749015460 DXBKHXHRYGWZDA-UHFFFAOYSA-N 440.552 0.632 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1749402144 KKZIEDHYLBBGGK-CVEARBPZSA-N 441.554 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749730724 OCKIPUAQRBLDJE-OAHLLOKOSA-N 439.563 0.873 30 10 ICEE Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751927018 RANQHKFUUVWHTD-ISLYRVAYSA-N 425.449 0.668 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760182118 GQLHJVPJZMWGIV-HNNXBMFYSA-N 428.580 0.996 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1760239936 BFSYLSWCYRBWAT-ZDUSSCGKSA-N 447.500 0.239 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760523216 PRZQSBSADSUNJT-UHFFFAOYSA-N 433.476 0.395 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760527481 YJUASRLHGKXZNO-INIZCTEOSA-N 431.541 0.588 30 10 ICEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)[C@@H]1CCN(C)C1=O 1849008763 RRZHWWZGZHRKBL-CHWSQXEVSA-N 426.461 0.340 30 10 ICEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1 1857249731 XAFAZDGJCXSDTJ-QAPCUYQASA-N 430.530 0.942 30 10 ICEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870395149 GYSMEUHAWXDCEY-UHFFFAOYSA-N 440.544 0.839 30 10 ICEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255624912 JZOJXVQQDZZTIS-KBPBESRZSA-N 436.318 0.429 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255647627 BGVUTZYSNVNRIU-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843814 MHEQEDSWDSBGAI-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE O=C(O)C[C@@H]1OCC=C2CN3CC[C@]45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35 229756369 IVEMPCACOMNRGI-GPKDVDOASA-N 427.413 0.035 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 512718035 HZJIGMIAKVYNES-UHFFFAOYSA-N 428.514 0.795 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 512722620 ICEGKJGWHWOICQ-UHFFFAOYSA-N 437.518 0.068 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 544113308 OQGLMBSYLAHIAS-MRXNPFEDSA-N 440.547 0.541 30 10 ICEE C=CC[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 571366260 WQFJWDWXZXDSLG-MRXNPFEDSA-N 425.551 0.936 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 732216480 SGJBIONUXAXFTC-UHFFFAOYSA-N 449.576 0.338 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC1CC1 740495033 KCLQPRWXDJIFPL-INIZCTEOSA-N 447.517 0.273 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCc1nnnn1-c1ccccc1 767628209 DXUCNNREFCVBTH-AWEZNQCLSA-N 426.458 0.987 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 767680768 NYPGRFCABKYCSO-WBAXXEDZSA-N 435.502 0.938 30 10 ICEE CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CC1 782109246 YXUYAQZVQKQVPJ-NRFANRHFSA-N 438.532 0.488 30 10 ICEE CN(Cc1cnccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 783936391 PKMDXVAODSAYPF-QJOMJCCJSA-N 430.490 0.887 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCOCC2)CC1 787100246 OSYLRFBAMVBIMQ-MRXNPFEDSA-N 435.502 0.751 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361073 RXQUMWKUORTPAZ-MRXNPFEDSA-N 447.520 0.383 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 1116084052 HZDMCMIBXUORRL-PEZBUJJGSA-N 440.503 0.025 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1286628666 DSVHSUCQRZSDGK-CYBMUJFWSA-N 434.950 0.324 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286706732 SPPRKAAYXVALNZ-TXPKVOOTSA-N 443.570 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286818592 KLFYYOPMLPPKQR-JKSUJKDBSA-N 432.550 0.941 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1286966723 BEQBHVLBMYSERF-BZUAXINKSA-N 426.543 0.633 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)C1=O 1288829865 BXECMYGNOPFZGW-GFCCVEGCSA-N 444.435 0.972 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1296605333 HNXRMSJRILDVBM-VQTJNVASSA-N 436.488 0.654 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1305113988 AVOWNALZHAUZIL-INIZCTEOSA-N 437.504 0.733 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1306246565 URUNWALTACBIQA-QGZVFWFLSA-N 446.533 0.593 30 10 ICEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1316024676 AYIAVAQUWVIYEO-HXUWFJFHSA-N 449.533 0.751 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1358948698 IQPNWORPNCSJMK-SJORKVTESA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965405 UQUYEAFOHBJNIU-LJQANCHMSA-N 428.562 0.986 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1359031110 QIUUPHPQECJJDO-OFNKIYASSA-N 446.596 0.654 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(C)COCCO2)CC1 1359044137 WUPUBWFFFKNNPI-NRFANRHFSA-N 425.493 0.506 30 10 ICEE C=CCNC(=O)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1 1359305512 FKATZKNSMRGYTE-NRFANRHFSA-N 436.557 0.972 30 10 ICEE CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1359600896 HBPNMHDRSGYDRD-DYVFJYSZSA-N 430.506 0.214 30 10 ICEE CC(C)(CNS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1439510652 YLEOIPGTAINGFF-UHFFFAOYSA-N 442.563 0.403 30 10 ICEE C#CCN(C(=O)[C@H](C)NC(=O)Cn1cnnn1)[C@H]1CCOc2ccc(Br)cc21 1444126679 XGAHFUBJXKPYSK-WFASDCNBSA-N 447.293 0.926 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)s1 1446144078 WIPFNGOCUYWDDN-GXTWGEPZSA-N 435.593 0.589 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)CC1 1471450543 DWFKATRRLJAILC-UHFFFAOYSA-N 449.483 0.865 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1502729926 UBYXDKGMEQEOIM-OXJNMPFZSA-N 430.465 0.568 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1507651045 ADCDIYRZOBMPLS-OAQYLSRUSA-N 438.513 0.139 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508072110 DXLXCHNMLQHUGJ-KRWDZBQOSA-N 449.556 0.642 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)n1 1511720441 YKKHTAAPCTYSRO-UHFFFAOYSA-N 444.521 0.734 30 10 ICEE CCCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1514552004 OVGHDEPNNIUDJI-HOTGVXAUSA-N 442.542 0.156 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1539178490 IPQVPPWLVCDHRE-IBGZPJMESA-N 446.577 0.989 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1541911643 UTJWLERRKLQUGM-JLTOFOAXSA-N 445.549 0.875 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCOCCN(C)C)CC2)c1C#N 1543002308 VSVLBBIBOMABMQ-UHFFFAOYSA-N 427.557 0.974 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1588049224 CJRJBXISFWFDCY-AWEZNQCLSA-N 425.536 0.335 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ncccc2Br)CC1 1588199222 JNNHVMMWLRMHLE-UHFFFAOYSA-N 437.266 0.548 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595537158 MRTZUSRWQHBSPL-HZPDHXFCSA-N 439.524 0.427 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cn1 1618399446 BSDFPNDHHNBRFP-LSDHHAIUSA-N 440.430 0.670 30 10 ICEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 1622380160 SDBGEBWVKAYRAL-SFHVURJKSA-N 428.532 0.414 30 10 ICEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)n2ncc(C#N)c2N)c1 1634236324 PTXNOUJEVWWRJA-UHFFFAOYSA-N 445.242 0.880 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1637260862 QLVHEVMNUMJGCB-LPHOPBHVSA-N 425.528 0.950 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689988021 HNWKJJILFMLSSJ-HZPDHXFCSA-N 437.566 0.919 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690724447 PFNRNILYNLVURJ-KBXCAEBGSA-N 425.511 0.414 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1705494810 GJKCPQRPKBACPJ-CXAGYDPISA-N 436.538 0.976 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705903432 VYRLXXGGHICYHS-MRXNPFEDSA-N 430.513 0.488 30 10 ICEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1709900578 COWNSSIXGBMNQL-UHFFFAOYSA-N 445.549 0.813 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1722429078 NCVTUVWYXZCOBY-QGZVFWFLSA-N 437.566 0.131 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722694501 XDRKYANOERKZQB-MRXNPFEDSA-N 441.536 0.938 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1722699592 WMSSOOMVAFGJLQ-QGZVFWFLSA-N 449.533 0.964 30 10 ICEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723073854 SPVJCZFOLBOYGS-GOSISDBHSA-N 442.568 0.853 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727236569 GFHTXXFFHBOWJB-UHHPSXQGSA-N 445.524 0.948 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1731216132 FRNGUYJTDVHBTH-HTXNQAPBSA-N 443.508 0.249 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC1CC1 1740551538 LFNHNYXBZOVADK-WBVHZDCISA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740626363 UHDYOHCANGZMBO-GOSISDBHSA-N 445.545 0.432 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1740639634 XZVODRTYRFBEBI-SFHVURJKSA-N 445.527 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1740640860 XXTRFPJCTISJAP-SFHVURJKSA-N 429.502 0.803 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1740693076 SQLDFIFBYSNCFY-VXKWHMMOSA-N 432.569 0.141 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1748291810 BGQDHERVOYVFJC-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1748752443 XKIZQTFUSQAFFT-IAGOWNOFSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760180371 CTEKSZWLNKQEPI-GVDBMIGSSA-N 426.539 0.665 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1760187290 CMGOWYHEZHGBRP-MRXNPFEDSA-N 428.522 0.592 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2Cc3ccccc3O2)CC1 1760254337 VDFMGAAYAREXSB-AEFFLSMTSA-N 444.561 0.647 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760520020 AAXYTKLFXXNHKL-UHFFFAOYSA-N 438.536 0.387 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1766944557 JRMMGYPWALHAKI-IAGOWNOFSA-N 443.533 0.423 30 10 ICEE CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1768153157 DBQNFEICGMLPPJ-QAPCUYQASA-N 426.543 0.778 30 10 ICEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3=O)CC2)cc1 1855449224 XQNNGNQSUVAXAO-APWZRJJASA-N 431.514 0.964 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCNC(=O)OC(C)(C)C 2247881060 QPOUOQJCOGLDCU-UHFFFAOYSA-N 444.363 0.912 30 10 ICEE Cc1c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823816 YEIYPEZDOGEXDI-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2267595508 FLHWVIHXJCQWKQ-QGZVFWFLSA-N 440.357 0.318 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CC1 27560010 JBNPCVRXHDYICB-SFHVURJKSA-N 436.578 0.567 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 110675262 RCNFQWGXLHHIRE-LJQANCHMSA-N 427.505 0.631 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]ncc3c2)CC1 441643021 AWQIIOMWECSTAJ-UHFFFAOYSA-N 438.469 0.906 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@@H]1CCCO1 477440325 SKAXYKGGMWWZNA-INIZCTEOSA-N 442.541 0.912 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@@H]2CCCO2)c1=O 501994800 QDROYFOCZXVUOB-KRWDZBQOSA-N 435.509 0.964 30 10 ICEE CCCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534145026 PIQWVDFXBGEOGO-UHFFFAOYSA-N 428.536 0.111 30 10 ICEE CCC/C=C\[C@H](O)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](C)(C(=O)c1ccccc1)[C@@H]2O 575416813 DWJJYIQZNKWPIG-IXSWXQTHSA-N 429.469 0.809 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CCN1CCOCC1 610574499 ZUZFHLPZZPPZIJ-UHFFFAOYSA-N 438.553 0.368 30 10 ICEE C#CCN(C(=O)NCc1ccccc1OCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774195092 LRMZIYQRRGXXHK-LJQANCHMSA-N 435.546 0.730 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 783351351 XPTPZAPNRRFIAS-HNNXBMFYSA-N 444.531 0.295 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)ccn3)CC2)cc1 803845425 GVXQKJWGOJCFQT-UHFFFAOYSA-N 444.469 0.652 30 10 ICEE C#CCN1CCC(C(=O)NCC2(CNC(=O)C3CCN(CC#C)CC3)CCOCC2)CC1 808185362 FALBBNDUYFFPLK-UHFFFAOYSA-N 442.604 0.706 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1286711922 REBXECUVIJBLPA-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286831796 CYOABCANEDOMQP-QGZVFWFLSA-N 448.593 0.972 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1300431557 XMCOHTYMDLURIE-HNNXBMFYSA-N 448.549 0.473 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1300579473 VXWGKIWTSNIHHY-DLBZAZTESA-N 438.575 0.468 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359302271 AVNNVMHIZCSBQQ-UHFFFAOYSA-N 433.538 0.231 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1507668708 BMAPXWLDXQBSHO-ZDUSSCGKSA-N 431.440 0.322 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507775733 VEFRCZVHULGHNV-VXGBXAGGSA-N 430.303 0.685 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507868501 LDDOKYZNHJFFRY-AGIUHOORSA-N 447.901 0.478 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508087811 QARKSYDMXPBYOQ-KRWDZBQOSA-N 426.525 0.953 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626869 GTRLQVAEKOMFKF-QKLQHJQFSA-N 445.568 0.421 30 10 ICEE N#C[C@@]12CN(C(=O)NCCn3cc(Br)ccc3=O)C[C@H]1CS(=O)(=O)C2 1564846305 OUKATDMOJHEDOF-NHYWBVRUSA-N 429.296 0.191 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1586526577 FEFODKOTZLRCHX-BRWVUGGUSA-N 435.502 0.667 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1Br 1661136613 APKLHJORSFVLLW-CYBMUJFWSA-N 448.364 0.814 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1685177390 SFFREBLCZZOICK-MRXNPFEDSA-N 435.506 0.708 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690674909 JXBAALQPPPQKRA-KRWDZBQOSA-N 443.552 0.445 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC(C)C 1705577146 VUNYMUNYPIJOLX-UHFFFAOYSA-N 442.545 0.793 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)COCCO1 1706870137 WLFAVHOIQWYAMQ-RDTXWAMCSA-N 426.543 0.824 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722364643 ISWJSJVVTSNPGG-PLMTUMEDSA-N 445.545 0.431 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1722365995 GUJQZBHZLJPNET-OAHLLOKOSA-N 430.596 0.928 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722367308 VMZCMVLKIBEIGS-UULLZXFKSA-N 435.575 0.659 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1722372042 OIFUGZZUNMAIOH-MOPGFXCFSA-N 441.557 0.969 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC(OCC)C2)CC1 1722447086 DIZQLRWRLOCYSG-PDDLGQBUSA-N 431.537 0.678 30 10 ICEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNS(C)(=O)=O)o1 1724318379 FLFUHDNWTAHKPA-MRXNPFEDSA-N 433.538 0.962 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CC(=O)NCC(F)F 1726642474 ICTOIZOBUWFAOR-GFCCVEGCSA-N 431.451 0.914 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1729682239 SUEFKYHOJNKFOU-SFHVURJKSA-N 427.509 0.346 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnnn1CC1CC1 1740645191 BJMRYIOEOIARCO-UHFFFAOYSA-N 430.476 0.833 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1740961633 GGQGUJPBMUHERR-KRWDZBQOSA-N 428.493 0.131 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1748671278 IEMQMORJAUKXMH-HRCADAONSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748824056 HYUDCGLGBSVXTE-LSDHHAIUSA-N 434.522 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749010196 OZETXAZLHJLNON-UZYVYHOESA-N 437.504 0.648 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1749606230 RBQMLAFWYOANBO-MJBXVCDLSA-N 436.542 0.578 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749669938 MKJPLSFZEIJDOB-UONOGXRCSA-N 431.522 0.874 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCOCC1 1760230050 OYHFSQXWXFHJEI-UHFFFAOYSA-N 435.492 0.629 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760530483 QNIWSXWRGWGNRD-MRXNPFEDSA-N 440.508 0.252 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1760548309 CWOHODJEXBUUNC-JTQLQIEISA-N 433.478 0.488 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1761221511 NXGRYOJOXMPWTE-LJQANCHMSA-N 432.506 0.944 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3OCC)CC2=O)CC1=O 1854000064 AUANAQFKRQEIDO-OAHLLOKOSA-N 435.502 0.479 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575779 PYLQYLJLVDMWJS-UHFFFAOYSA-N 434.888 0.733 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CC=C(c4cncc(C#N)c4)CC3)ccc2n(C)c1=O 1891626416 CUJDIEGPPYPMQN-UHFFFAOYSA-N 437.481 0.982 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2267268127 PXFLRXWROJWVIK-QGZVFWFLSA-N 441.341 0.745 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482556952 LNSQGSZETITMEH-CYBMUJFWSA-N 426.523 0.827 30 10 ICEE N#CC1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN(Cc2ccccc2)CC1 482695192 QEEICDFRAFBZKP-MOPGFXCFSA-N 444.557 0.697 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](CC)C1 508922614 RJJIKVPJEIRUHJ-SJORKVTESA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 541859813 JSLVXQNSKLVVAI-LJQANCHMSA-N 434.562 0.541 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](COC)C1 549290000 FLBLNKDVDQHNTP-JYJNAYRXSA-N 429.543 0.427 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOC)C1 555241204 IGQQUKLIWCWFJK-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 557227282 FHHBQEIJSOZMRJ-UHFFFAOYSA-N 449.360 0.718 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 603797437 JGAKZWZRTGARFQ-UHFFFAOYSA-N 444.582 0.429 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCN1CCOCC1 732560905 BWKVNSFZKUACRX-MRXNPFEDSA-N 443.573 0.577 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)c1=O 758776817 MHXVDMSZIQDTLW-CABCVRRESA-N 431.497 0.371 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)ccc1F 794087485 QUAMWCJMMNLGIU-UHFFFAOYSA-N 448.542 0.244 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 803697734 PTHPPCWXKCQRCM-UHFFFAOYSA-N 448.497 0.861 30 10 ICEE C#CCN=c1nc(N2CC[C@](O)(C(F)(F)F)C2)[nH]c(N2CC[C@](O)(C(F)(F)F)C2)n1 804495563 GQORSQKCRKDFQE-ZIAGYGMSSA-N 440.348 0.346 30 10 ICEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1128492905 WSQLRYICTDJIOY-KRWDZBQOSA-N 439.557 0.823 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1135918152 JJFGDASZPNIJMH-MRXNPFEDSA-N 447.923 0.471 30 10 ICEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1195028078 ARLHGGCVTLNZKS-CQSZACIVSA-N 427.910 0.633 30 10 ICEE COc1ccc(O)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1208271186 GHQIGLWZIARCBY-UHFFFAOYSA-N 437.499 0.968 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1286472247 WTALERQAEYCNES-LJQANCHMSA-N 429.569 0.116 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)C1 1286801563 ZRAOIPOURPNJDT-JJRVBVJISA-N 431.584 0.538 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1298776063 GNWQEKFINGXDRM-UHFFFAOYSA-N 426.506 0.884 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1300537376 GAHCHOPQAAPIQC-MRXNPFEDSA-N 426.502 0.792 30 10 ICEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CC1 1313920730 LYTYNGUBUJHDKF-CEXWTWQISA-N 435.573 0.757 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358955843 UYZVTVYKAXXMAU-GUXCAODWSA-N 439.582 0.840 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359296194 ACHOGPXUZXPVLH-UHFFFAOYSA-N 434.522 0.338 30 10 ICEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1456734977 LANNFZGPCULZRA-UHFFFAOYSA-N 447.542 0.767 30 10 ICEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 1460854808 ANIFNKONVCDTMF-NRFANRHFSA-N 432.546 0.623 30 10 ICEE O=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1521472692 WACJKIPCVFWGBW-UFOSLELVSA-N 429.481 0.025 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540875603 QZYPRVTUEHBFIC-JOCHJYFZSA-N 440.504 0.884 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1540875829 YUMRVEYFJCTYDW-HNNXBMFYSA-N 428.493 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1540897507 KUCCVDBDSSHFEH-INIZCTEOSA-N 448.553 0.548 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1540901418 CULVEFOTNMPDJO-CYBMUJFWSA-N 430.556 0.149 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1587809139 ZREYBABVNROPAR-KRWDZBQOSA-N 438.598 0.850 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1608571194 DLLNHJAURPXUFZ-OAQYLSRUSA-N 440.508 0.161 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1615671891 OAESTEAGQBZZKI-CYBMUJFWSA-N 441.535 0.564 30 10 ICEE CO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619493684 WSNBEXYHCADZKF-HFUDNHEJSA-N 431.497 0.558 30 10 ICEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624550815 GRGWDNTTZNLLIK-CQSZACIVSA-N 427.548 0.931 30 10 ICEE O=C(N[C@H](CO)C(=O)N[C@@H]1CCN(O)C1=O)OCC1c2ccccc2-c2ccccc21 1624906507 LMGCAYWFOGLBRW-RTBURBONSA-N 425.441 0.992 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1 1633848446 QPDALERABYWOLX-UHFFFAOYSA-N 427.479 0.867 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 1644285690 XABYOBSYTZUXTI-YESZJQIVSA-N 438.347 0.947 30 10 ICEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCCO1 1686184682 ODRDEPYQXLAHOL-HRCADAONSA-N 429.539 0.891 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1690236048 HUQFRGYEIXOTSN-YJBOKZPZSA-N 434.541 0.868 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690442638 XQFYSPZWZXTUOZ-BBWFWOEESA-N 446.552 0.751 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1690672439 RRXHLEMIBOFSBM-JYJNAYRXSA-N 440.570 0.538 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)CC)c1 1705504148 OJCLHJJNZPPZRI-UHFFFAOYSA-N 439.520 0.951 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1705565956 LBRNNARLTHXMQP-HZPDHXFCSA-N 444.579 0.581 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1705824982 GGEIMBJSOGUEKB-OAHLLOKOSA-N 440.570 0.588 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722369441 ZFEZPVBOUMVUDU-SQNIBIBYSA-N 438.550 0.952 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1722426976 PBZDOHFBDQDWQH-INIZCTEOSA-N 427.596 0.315 30 10 ICEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722533966 HABDIAOBKLYWTK-MRXNPFEDSA-N 425.493 0.388 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1722695943 VZTXXFOYUXHKKN-INIZCTEOSA-N 448.911 0.861 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C1 1722719059 QCYHDMAIQIITCA-CABCVRRESA-N 429.543 0.163 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627793 SMXCPNRLBUROGG-OLZOCXBDSA-N 449.455 0.087 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740963194 CQNSKYQTFUCOTH-INIZCTEOSA-N 436.476 0.245 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC)CC1 1749003702 SBRZUBKULFDXBZ-QFIPXVFZSA-N 446.552 0.421 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)CC1 1749009401 QTSGYYUESDBLRW-UHFFFAOYSA-N 440.552 0.807 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1749022250 HOBOPRGBIRORDA-UONOGXRCSA-N 438.583 0.725 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185521 YRSIWLFGFMULLZ-NVXWUHKLSA-N 442.545 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760269776 OMJXQNLORSFMGD-FUHWJXTLSA-N 449.577 0.573 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1760296010 XRRJMEPREFXIEN-JTDSTZFVSA-N 425.555 0.886 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1760514662 KIKKRBONEFQEFD-UHFFFAOYSA-N 434.451 0.615 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760547132 DXNMUUJPSOVPJW-IAGOWNOFSA-N 436.582 0.788 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1769338425 DFNNIPFMFYXYBQ-MRXNPFEDSA-N 438.492 0.421 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1770748249 NEENYBMKDPOHHC-IRXDYDNUSA-N 446.533 0.879 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 1852170806 VRVNCMPWFOIMBF-SFHVURJKSA-N 427.505 0.646 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244282406 JQLHVBHPXBNFNX-CQSZACIVSA-N 429.514 0.657 30 10 ICEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112442 GTNFLRUJXCHOQQ-QWRGUYRKSA-N 445.251 0.786 30 10 ICEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33811975 LFKRSEJHRIXDET-RIYZIHGNSA-N 447.542 0.603 30 10 ICEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 427664003 GRTGSOKJTONNBJ-CVEARBPZSA-N 436.468 0.992 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488280311 MJMHKENENDZTNO-SFHVURJKSA-N 427.505 0.938 30 10 ICEE CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CCN2C1=O 618998138 GTELJQVBMMXGLO-CYBMUJFWSA-N 427.280 0.978 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCc2ccc(Br)cc21 737304687 AHJRJCKOVYEGOL-NXVVXOECSA-N 433.262 0.981 30 10 ICEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)N(C)CCC#N)CC1 756142167 ITKITGHNPWRMDN-CQSZACIVSA-N 425.511 0.731 30 10 ICEE C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(Cl)cc1 810473402 BMUPIRHFGVNLHY-MRXNPFEDSA-N 429.864 0.825 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1286396544 WCASAOOBSOGFDO-SJORKVTESA-N 435.550 0.673 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2COCCO2)CC1 1286486810 BOOHKLFNYLPUMB-FUHWJXTLSA-N 435.525 0.383 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC2)CC1 1286495339 YZSMXOMWWZKCIE-DOTOQJQBSA-N 435.550 0.183 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286599608 BRIALCJUFJFZHS-UONOGXRCSA-N 435.572 0.104 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1286786924 LZJJSFFLSBWKNH-OAQYLSRUSA-N 436.451 0.936 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286789320 CWDRNJKTMROBNU-LJQANCHMSA-N 442.568 0.600 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286820809 SCPJJOSFGRAJDA-HNNXBMFYSA-N 446.595 0.786 30 10 ICEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286956714 VBDUAMUIDDQBNG-UHFFFAOYSA-N 425.541 0.997 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291196062 DHCYHELCQTUVAC-ZFDMEJTGSA-N 445.549 0.982 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1300479964 WCXYLAHUXWRVBF-INIZCTEOSA-N 446.533 0.715 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301520388 FPQTVGMCEONFSG-JKSUJKDBSA-N 438.554 0.436 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOC2(CCOCC2)C1 1301588882 KZGNPDCBBBDSFI-INIZCTEOSA-N 426.539 0.769 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1358912960 CAZXXSGHYYAGAR-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358967299 HTGZSGDTSUBPBC-BZUAXINKSA-N 435.550 0.671 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1359057936 MXVVUSBJAXPUSX-CYBMUJFWSA-N 435.522 0.823 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC2(CC1)OCCO2 1359291253 JMYYKGZYXZATQE-UHFFFAOYSA-N 432.525 0.938 30 10 ICEE C=CCn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 1437450017 HUNWUYGFSJQQEO-UHFFFAOYSA-N 434.522 0.355 30 10 ICEE Cc1c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cnn1CCC#N 1449274650 TZNFKTWGIYQFDE-KRWDZBQOSA-N 438.536 0.682 30 10 ICEE C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1452735725 MHJUISHOJFLVKA-HNNXBMFYSA-N 425.507 0.931 30 10 ICEE C=CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1467140936 RAFIPLOJSSXQRQ-AWEZNQCLSA-N 439.490 0.805 30 10 ICEE CN(Cc1cc(Br)cs1)C(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O 1473059450 PGCIYCZXPKEONQ-UHFFFAOYSA-N 427.280 0.357 30 10 ICEE C=C[C@@H](COC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478492082 ANNDSHTUCIHNIE-INIZCTEOSA-N 426.539 0.647 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1502443932 BWEVYPJIZIMXPH-QFIPXVFZSA-N 438.536 0.735 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1507654116 VZJPBGLMZRQVMT-XLIONFOSSA-N 435.550 0.499 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1508143086 WTXYKWBWBHNXIA-HNNXBMFYSA-N 426.543 0.234 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1539200745 NRTLCFXNNACNLU-KRWDZBQOSA-N 449.577 0.958 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539219351 BYJDNXCWTSABQB-UKRRQHHQSA-N 434.547 0.669 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539454622 VOFFSQHFQROPKY-IBGZPJMESA-N 435.532 0.807 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(CC)CC)CC1 1539476637 CNVZOMMGAYGGIP-AEFFLSMTSA-N 429.569 0.925 30 10 ICEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1539590018 BLAFSFDZRATNNG-HNNXBMFYSA-N 428.424 0.397 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540875018 ZBKUGNRJCHQXRG-HDICACEKSA-N 426.477 0.881 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1540907356 UAEWCRGSEPVDJV-UHFFFAOYSA-N 438.554 0.060 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(CCOC)C1 1588011984 QKTOWFGTFWUMLA-HNNXBMFYSA-N 430.534 0.834 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1595536493 BOXQLLPMQACUIN-UHFFFAOYSA-N 437.451 0.695 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1595551365 PHXSSFBVCOSEIX-QGZVFWFLSA-N 428.518 0.990 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1638249399 QPUMWXAPMAPBTG-CVEARBPZSA-N 442.335 0.165 30 10 ICEE N#Cc1ncn(CC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)n1 1648205362 KABNYNWQQFBSIG-CQSZACIVSA-N 436.213 0.454 30 10 ICEE NC(=O)C1CCN(C(=O)C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1652288226 QOJYMSGXTZTGSC-UHFFFAOYSA-N 436.512 0.722 30 10 ICEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1665797705 HCYBMKRMZQMJSP-INIZCTEOSA-N 436.534 0.935 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689987819 CRHPVSGCLGDZBD-AUSJPIAWSA-N 447.517 0.357 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)C1 1690686227 KWDCNMCQFATUCR-SLBZEPJWSA-N 445.611 0.971 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1705583191 RZWVKQCHEMOEMS-OAHLLOKOSA-N 434.547 0.383 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1705893598 BIEBRULFVRBQFH-UHFFFAOYSA-N 444.540 0.200 30 10 ICEE COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1712030851 FPHHLFHTATWOGV-GOEBONIOSA-N 449.537 0.801 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722554332 DGOWAYCSWIILLP-KGLIPLIRSA-N 447.945 0.753 30 10 ICEE COCC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730652008 PNYGZTGNZGUZJH-DXQAYGFFSA-N 445.524 0.806 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740622811 IXGBMFVRJLKYII-CVEARBPZSA-N 444.517 0.308 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740623427 SYSHHEWFPVCYHG-HNNXBMFYSA-N 426.564 0.750 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1741131666 GYFHBYBSCDXXDH-KGLIPLIRSA-N 439.567 0.906 30 10 ICEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1747649519 BDONJMYTGLLVIM-IAFNSTAXSA-N 434.522 0.380 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748802188 MXTJTXUVXSPWRE-MRXNPFEDSA-N 436.582 0.527 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748814370 DUTAUOGIZGVRDJ-NVXWUHKLSA-N 440.591 0.997 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1748968914 ODBGJVWNGYVDRR-UHFFFAOYSA-N 445.545 0.938 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1749119095 NJTDIKWSGZHGTE-FPCVCCKLSA-N 440.570 0.571 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760201504 FFMYTFQTJNJPNS-MSOLQXFVSA-N 425.537 0.245 30 10 ICEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)C1 1855028331 WEWUSOPVNYATEA-AWEZNQCLSA-N 440.472 0.955 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)Cc3c(F)cccc3Cl)C(=O)C2)C1 1856848939 AGXHUYPXKSVPMH-CYBMUJFWSA-N 442.900 0.620 30 10 ICEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)N=c1nc2nc(C)cc(C)n2[nH]1 1872638451 GWPRWSMJRYBWPW-UHFFFAOYSA-N 426.437 0.307 30 10 ICEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2255653765 NRKRNZICQBMIGP-GXTWGEPZSA-N 436.318 0.429 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268765146 GLPHIGOLBWVNCQ-APHBMKBZSA-N 449.313 0.660 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2303951047 QNDKTILVUOZLAP-WDNDVIMCSA-N 426.319 0.785 30 10 ICEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)c1ncc(I)s1 2367815010 FMLZFBAJFXXSTO-WPRPVWTQSA-N 426.301 0.950 30 10 ICEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 27903190 QJIOFFJMSXRQPW-HXUWFJFHSA-N 443.592 0.443 30 10 ICEE C=CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(CC(=O)NCCOC)C2=O 35964634 GECXSLRFKXRBIS-GOSISDBHSA-N 429.433 0.706 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)CC1 105311926 WUWRPWWSNJUESR-IBGZPJMESA-N 440.610 0.255 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 555255544 LJSSHUFGGLRUKN-GJYPPUQNSA-N 441.554 0.571 30 10 ICEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)CC2)nc1 587664007 DYJIMPXSAYOCDQ-UHFFFAOYSA-N 437.479 0.921 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742401140 NNLGRRHVNDVZIT-UHFFFAOYSA-N 435.531 0.440 30 10 ICEE Cc1nc(CN2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 742683509 JZFADDIOOGIQMC-ZDUSSCGKSA-N 431.522 0.275 30 10 ICEE N#C[C@H](C(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 753974584 VDRFJXFCTFGTPK-MRXNPFEDSA-N 431.470 0.419 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783957587 OHZWPUSWDPXHQL-UHFFFAOYSA-N 435.534 0.916 30 10 ICEE C#CCN1C(=O)C[C@H](N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 821771625 IDTMKHMNMPLCTI-BZSNNMDCSA-N 446.548 0.975 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 1221607622 FUWNROLMKGFSNV-SFHVURJKSA-N 433.534 0.086 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1286376321 JRAPSKGZXDNSML-QGZVFWFLSA-N 437.497 0.876 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286789974 JJUIBSKLIKHRLR-KGLIPLIRSA-N 443.533 0.287 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286819595 PFHXBAMZZFLMSW-HZPDHXFCSA-N 446.533 0.883 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286823887 RDDUUGBMLJMVFR-GUYCJALGSA-N 428.584 0.666 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cccnc1=O 1297515942 MDEXLRYHRUYWTH-MRXNPFEDSA-N 431.518 0.903 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C 1299830267 PYWIBRRVRYYVDA-RDJZCZTQSA-N 449.577 0.862 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1300780601 UQFWXXDLYWTAMY-MBOZVWFJSA-N 438.598 0.849 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1300899655 HXECCNODPXJONV-NSHDSACASA-N 426.465 0.969 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1359057267 WBHCXONRDPXJHT-HNNXBMFYSA-N 427.596 0.755 30 10 ICEE NS(=O)(=O)c1ccccc1N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1460535934 WYARAQDJJBOAQT-UHFFFAOYSA-N 438.509 0.756 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1463851038 GCNBQZPABJKUNG-GOSISDBHSA-N 438.463 0.344 30 10 ICEE CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1468172206 COVODIPEEFLMEP-UKRRQHHQSA-N 444.579 0.584 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1469730898 ZMHWRLSJARKNGG-ZIAGYGMSSA-N 425.486 0.218 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630739 GPPRDNMAVOONRF-PKOBYXMFSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507636634 BOQRVRZAMDNITO-XSLAGTTESA-N 439.582 0.579 30 10 ICEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507680410 GGYXYGDYBMFASC-FQEVSTJZSA-N 434.518 0.971 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1507836856 BROJWLGBEIMZPU-CVEARBPZSA-N 438.558 0.914 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507958000 YPVPHMXMZNQHCR-SFHVURJKSA-N 447.584 0.752 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508400389 FPDBGOZDJUBIML-DOTOQJQBSA-N 439.524 0.685 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1OC 1518166455 IDFPTPCDBNTYRY-IIBYNOLFSA-N 428.493 0.758 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1539203773 VAFNAHWDQUPHBT-ZDUSSCGKSA-N 433.481 0.325 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539636624 LKRFCGFETBXNCX-RXVVDRJESA-N 432.569 0.803 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@H](C)CC 1588385129 FKAWXYRMERPSNN-JTDSTZFVSA-N 427.571 0.868 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1594784290 VZDMPOHHKJXFOT-CQSZACIVSA-N 430.531 0.369 30 10 ICEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)nc2c1 1611972759 APUCXVNJUMSKGO-GDBMZVCRSA-N 444.521 0.622 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1620018377 DFLGNKQNUUQERV-BLIXFSHQSA-N 433.557 0.245 30 10 ICEE C#CC[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 1629612931 PDMQQNFQVZNSDT-GOSISDBHSA-N 449.529 0.289 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)CC1 1643372385 IWQJPTMGQGWHRR-UHFFFAOYSA-N 427.530 0.895 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC2CC2)CC1 1690128860 KSAVKILRBCNHQH-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1690675275 VBZVVYJSZIJASC-UHFFFAOYSA-N 429.525 0.294 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692560804 ZLCYZWKWDAOGSN-ZJYNUGOYSA-N 445.524 0.659 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705567674 YDYCFZJRTXSFFR-QZTJIDSGSA-N 432.550 0.775 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1705574141 VTMUCPLAGLPJRW-OAHLLOKOSA-N 441.517 0.717 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1705582522 CQAFKZVNVSLRSJ-LPHOPBHVSA-N 437.591 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1705648566 UOWKHCZDFVKJIX-HKUYNNGSSA-N 430.553 0.469 30 10 ICEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705738083 KEKDOZVJCJSMJQ-QGZVFWFLSA-N 425.493 0.004 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1706074854 FYIUUBCQDGRDJW-JKSUJKDBSA-N 441.602 0.795 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(OC)CCOC1 1712562003 NGSNHVPEBFAVOL-PLMTUMEDSA-N 434.541 0.984 30 10 ICEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CC1 1729066393 CSUBXVPLIBQDSG-UHFFFAOYSA-N 445.549 0.985 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1740659430 YVJGPIDLZBTZQW-UHFFFAOYSA-N 436.564 0.767 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(CCOC)c2)CC1 1749001077 HHHLJJZGPMDOCH-PMACEKPBSA-N 443.552 0.649 30 10 ICEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749749728 OVOHPPRHQAQNPD-KRWDZBQOSA-N 437.529 0.883 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCC2)C1 1750211330 IVTOQDBEOYPUJU-ZACQAIPSSA-N 436.538 0.696 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1760351866 LRUULSKZZWSJIH-AWEZNQCLSA-N 426.543 0.292 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cc[nH]n2)CC1 1760402348 KOXAJGBWTBZOMQ-OAHLLOKOSA-N 433.538 0.736 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1768463838 WONFWHVUNZHHAM-AEFFLSMTSA-N 437.504 0.779 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1769984881 XOCWUJHLSZIKEM-DNVCBOLYSA-N 441.554 0.682 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)OCC2CCN(c3ccc(C#N)cc3)CC2)n(C)c1=O 1851364680 KTFSSMPJHBBJIH-UHFFFAOYSA-N 436.472 0.765 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CCC)CC3)OC2=O)CC1=O 1856739756 ZEDVIENSPSEZSJ-JKSUJKDBSA-N 427.523 0.820 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(CCO)CC1 1870548165 VFEWBPSADQRBBC-HXUWFJFHSA-N 448.564 0.160 30 10 ICEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCO)cn1 2164499539 XCSAKJQVQXQHJH-IBGZPJMESA-N 432.433 0.587 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CC(=O)O)Cc1ccccc1 2248584473 XTRMKSDKJQXAQT-UHFFFAOYSA-N 436.299 0.390 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255635069 WDUBJDLXPXMATP-UHFFFAOYSA-N 430.236 0.778 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 480276663 UNGWEXUVIYMOGI-UHFFFAOYSA-N 440.591 0.677 30 10 ICEE C=C(C)Cn1c(SCC(=O)N2CC(n3cc(C(N)=O)nn3)C2)nnc1-c1ccco1 500570266 PBQFJILIEWIZTH-UHFFFAOYSA-N 428.478 0.980 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 574956615 WGPTUTYULTVJKM-UHFFFAOYSA-N 435.509 0.699 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2nnnn2C)C1=O 771542622 YFHVINJLXPHPHJ-HNNXBMFYSA-N 448.528 0.591 30 10 ICEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1136110161 ZYLBGIPUAMQYQU-HXUWFJFHSA-N 443.481 0.896 30 10 ICEE COc1ccc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c(OC)c1 1180990420 RQFCGSWUATVPNF-LBPRGKRZSA-N 439.428 0.274 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1286296291 NXXPWIJYFYDPLD-CZUORRHYSA-N 436.538 0.976 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1286715163 WHWQOAJTYIEZMK-HNNXBMFYSA-N 435.554 0.790 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1288320791 CYXYQLZJMMSSMZ-JTDSTZFVSA-N 439.538 0.482 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1300286721 NFWWGYVGHNMNIA-OAHLLOKOSA-N 441.521 0.414 30 10 ICEE C#CCCN(CCOC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1301379032 MZTLRLBLBCOYJX-UHFFFAOYSA-N 435.546 0.798 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1302475058 QEKWLBODQGYONT-VLGSPTGOSA-N 449.537 0.154 30 10 ICEE N#Cc1cn(CC(=O)N[C@@H](CO)c2ccccc2I)c(=O)nc1O 1304877461 SLZLABPXZOKBKQ-LBPRGKRZSA-N 440.197 0.275 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 1312708880 OOPSREYGNFQIDI-IKGGRYGDSA-N 438.554 0.175 30 10 ICEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359081993 UZYHILLMWSNVCO-DGCLKSJQSA-N 425.287 0.947 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359295697 LGHLLPVNITZXBQ-ZIAGYGMSSA-N 434.884 0.656 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1507623304 QUHCVILLXKEROX-KLHDSHLOSA-N 443.595 0.876 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1507651635 ABCGNUDTWCSQML-GOSISDBHSA-N 429.502 0.438 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507715569 DHQNKEIKUNWISD-LJQANCHMSA-N 427.553 0.528 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507746568 SAPCOJYQAZAMMJ-UONOGXRCSA-N 429.568 0.644 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508080868 FDACWXKZCDNABW-MRXNPFEDSA-N 441.467 0.859 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCCCS2(=O)=O)cc1 1534146775 MUEWJVIENBUIGH-KNTRCKAVSA-N 428.536 0.864 30 10 ICEE COc1ccc(CC(=O)Nc2nn(C)c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 1537537487 UKICOZABVNMXSW-UHFFFAOYSA-N 433.490 0.811 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539230314 LLJDRHOEYLSRLD-SJORKVTESA-N 438.529 0.751 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1540871139 FHQRGGKFVWRJBU-MRXNPFEDSA-N 438.540 0.932 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2C(=O)NCC23CCOCC3)CC1 1560176343 WEGMLUGYNLRGHT-UYAOXDASSA-N 429.496 0.419 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1584482229 KNOSTMKIYUOKGO-LJQANCHMSA-N 431.518 0.884 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1595555793 HJBRONIOMLSJNH-HNNXBMFYSA-N 432.529 0.945 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1642340554 GJLBZMPNQXASAS-ATZDWAIDSA-N 432.546 0.985 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1690485052 KIBQVZQYKGMMQZ-LSDHHAIUSA-N 426.543 0.279 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1690622059 GXKBJEHXBWAPIR-LPHOPBHVSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690666808 HMWFNKUUGOTFCU-UHFFFAOYSA-N 436.520 0.329 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690669348 BCPADSQLEFORGL-HNNXBMFYSA-N 432.529 0.115 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690677423 WQZZPIFYCBYULA-OAQYLSRUSA-N 434.541 0.680 30 10 ICEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1695537304 GKAINTDNORQBJM-GHTZIAJQSA-N 444.561 0.897 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(C)(=O)=O 1705580312 HPZSHQQSIJQEPB-UHFFFAOYSA-N 434.547 0.356 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1705582703 HSYMGZYYKHZZKG-GOSISDBHSA-N 425.514 0.661 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1705907161 BWOXXAGMYBZEIT-IBGZPJMESA-N 440.548 0.895 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706074901 GPGNTHVUIMXAKF-RRFJBIMHSA-N 444.583 0.200 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708759321 BMTOJHHISZRCDG-HMWBCQRISA-N 445.524 0.948 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722358491 IFFSJABBVNZMON-CQSZACIVSA-N 436.563 0.742 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC=C)CC1 1722445777 CEVUEBCEZLPONR-UHFFFAOYSA-N 444.561 0.850 30 10 ICEE C[C@@H](CN1CCOCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1723878405 HDCULTVABMEHPB-FUHWJXTLSA-N 436.582 0.888 30 10 ICEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1729325150 AKKYKNPEZNKAPQ-HOTGVXAUSA-N 438.554 0.020 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1740610994 QKZKCRJCXDMOSZ-LJQANCHMSA-N 446.577 0.812 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1740628921 WNRLUBLOTYPTAP-KRWDZBQOSA-N 432.550 0.951 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1740725310 PGJMOJGGNVGOQI-KBXCAEBGSA-N 443.595 0.705 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1740987673 XEQRKQCGHRTRST-UHFFFAOYSA-N 443.327 0.573 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1748811053 ARADYBQSJDRPCL-INIZCTEOSA-N 437.547 0.402 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760137168 PFZSLEKAFMMAEK-LSDHHAIUSA-N 425.497 0.565 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1760185520 YRSIWLFGFMULLZ-DOTOQJQBSA-N 442.545 0.882 30 10 ICEE CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766889457 BOLMRWSSHUFGJI-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769383155 XRDBEMSLZAXDEL-RTBURBONSA-N 440.570 0.998 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1771305255 XTADOXJMRHROHY-FHWLQOOXSA-N 447.584 0.757 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccccc3)cc2)O[C@H](CO)[C@@H](O)[C@H]1O 2296747986 HKKSSKGBBKKMNU-ISBRNDMJSA-N 427.453 0.905 30 10 ICEE Cn1ccnc1CN1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486491129 IPCLWCQWHRUYKP-OALUTQOASA-N 449.515 0.883 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCS1(=O)=O 725759574 DDKXOXPBVFEDGJ-UHFFFAOYSA-N 428.536 0.047 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 730537325 RVCDLWVWWBLANU-RTBURBONSA-N 438.571 0.877 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763434507 IVJVWADSFDJZSC-HOCLYGCPSA-N 430.530 0.081 30 10 ICEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)s1 772902649 XYMPRRPXUIBVQT-UHFFFAOYSA-N 429.571 0.924 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1CS(=O)(=O)C1 787453736 NSTWQBGAAJQQAP-OAHLLOKOSA-N 427.548 0.691 30 10 ICEE N#C[C@]12CN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1235729703 YNYZHWHGSRCAHT-TWOQFEAHSA-N 432.502 0.246 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1286737770 OKLCDMYLHFGKSE-UFOSLELVSA-N 446.533 0.861 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300483797 MEJGZHHOYXPGHV-GVDBMIGSSA-N 442.538 0.044 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CCC)CC1 1300699523 DXIRRHSLMBQCDK-KZNAEPCWSA-N 436.582 0.727 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 1309311851 DLTACGURLVJHNO-AWEZNQCLSA-N 435.531 0.792 30 10 ICEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1314672718 RTJXSVLEYGQNSO-UHFFFAOYSA-N 427.509 0.585 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1358969975 BMSMAUXSUFCWQL-HSZRJFAPSA-N 442.564 0.556 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359240313 LEKIUEFJDHDTQJ-SJORKVTESA-N 438.598 0.745 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1359300839 KZWMWGINNXBFBM-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1359332899 JVZDVLVMNMRXJY-MRXNPFEDSA-N 441.579 0.911 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 1455115299 NPIRCICVVCARCT-UHFFFAOYSA-N 443.529 0.348 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)CC1 1507724007 CVEMZEVFASSAGR-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507751149 KPLASNWQXZTTMB-ZACQAIPSSA-N 440.591 0.931 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1507772571 LQIZDCPJOZRRRI-AHRSYUTCSA-N 437.566 0.764 30 10 ICEE CC(C)Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509226778 MPEANJBCEFBEBI-QBNCKDSPSA-N 429.525 0.524 30 10 ICEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1519525320 WJALVPPULRNQBD-HXUWFJFHSA-N 428.518 0.968 30 10 ICEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1537005450 IALIQNSXTVPKMB-KBXCAEBGSA-N 441.456 0.642 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539430142 HJDAUMVJFXRMOS-ABSDTBQOSA-N 438.598 0.991 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCN2CCCO)cc1 1555989339 HXRRFUSBVDKUPO-LJQANCHMSA-N 444.561 0.898 30 10 ICEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1557599537 BQYPLHIHKHIOLI-INIZCTEOSA-N 429.502 0.797 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1595496758 GEDBUKQYOVBGAU-UHFFFAOYSA-N 443.464 0.451 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595812371 QZKOHOPPUYKOED-IRXDYDNUSA-N 430.534 0.580 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc[nH]n1 1639286540 DHQPMQFREAZVTN-LLVKDONJSA-N 433.387 0.611 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1645144150 XWVQGDBAFBKKOD-ZFWWWQNUSA-N 425.532 0.841 30 10 ICEE C[C@@H](CC(=O)NCCC1(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1645345476 WGOVLDILYVQYSK-ZDUSSCGKSA-N 427.548 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)CC1 1671147804 SUBMLXBCDVNLTP-UHFFFAOYSA-N 443.476 0.419 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690288208 MNAZBWSWIFISSB-HUUCEWRRSA-N 436.538 0.523 30 10 ICEE COCCOC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1698182139 VTTLGRBRKUZMMM-QGZVFWFLSA-N 448.524 0.455 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1705551283 KQOJPLNCTSNVQU-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1705556642 KDFLMHZUJVMYDZ-UHFFFAOYSA-N 435.532 0.819 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567137 UYEDGSASAINKGA-HRCADAONSA-N 435.550 0.671 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1705876301 UCMGJJUDOCGOSG-QGZVFWFLSA-N 435.554 0.766 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705901808 XFMLCKIEHXAFAL-GJZGRUSLSA-N 447.540 0.977 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711020651 WZQXVHGDNODQBL-WBVHZDCISA-N 437.570 0.240 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CCOCC2)CC1 1722446536 ZZZDERFIMCALFY-KRWDZBQOSA-N 438.536 0.422 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)C1 1722710328 HCCDZRCMGRSVPQ-PMUMKWKESA-N 426.543 0.148 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1=O 1729591432 BHYNXIJMTLBLSF-JXFKEZNVSA-N 428.518 0.918 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1730875575 MWMZZISBVNBIDL-KBXCAEBGSA-N 432.481 0.856 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cc[nH]n2)CC1 1749008623 FKZVLDYYRDMASR-UHFFFAOYSA-N 435.492 0.392 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749230166 UKFMIGKDFMBFDY-IRXDYDNUSA-N 441.554 0.114 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760521943 IGPJCLDOPHTZAV-HNNXBMFYSA-N 432.554 0.961 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1760525085 SYZDNEOCYDSYQV-UHFFFAOYSA-N 438.536 0.950 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760552455 OISHILGUSCZQLQ-UHFFFAOYSA-N 429.506 0.530 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@H]1O 1767922238 WOPYXBTVQZOPRR-QZTJIDSGSA-N 438.488 0.703 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770336726 JHRASPIHXAEXDK-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE COCCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1771248832 CARQWYHTRZCNSH-DZGCQCFKSA-N 438.510 0.643 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1772564406 WUTBCPQMZKWCCO-BEFAXECRSA-N 438.554 0.244 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2=O)CC1=O 1854002725 VTCPPTVWIDFFKK-LBPRGKRZSA-N 427.429 0.359 30 10 ICEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C(=O)C2)C1 1856839752 MGKHUWBCQNXARL-IRXDYDNUSA-N 431.562 0.595 30 10 ICEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C(=O)C2)C1 1856839753 MGKHUWBCQNXARL-SJORKVTESA-N 431.562 0.595 30 10 ICEE CN(CC(=O)NCC#CCN1CCOCC1)c1nc2c(S(C)(=O)=O)cccc2s1 1890003608 HVVIZWIZAKWMEV-UHFFFAOYSA-N 436.559 0.588 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401452 JBQLPMNOHOBSDS-WDEREUQCSA-N 440.331 0.568 30 10 ICEE COc1cnccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 478437374 UENYMZJPYSDKLB-HNNXBMFYSA-N 429.502 0.977 30 10 ICEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCCC(=O)NCC#N)CC1 481894330 ZRXGECGVOFKUAP-UHFFFAOYSA-N 442.925 0.992 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 522162190 CACFXHARYOOGPJ-UHFFFAOYSA-N 434.562 0.825 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@H]1CCOC1 539598797 SEMSEPLSYCIDDV-OAHLLOKOSA-N 442.541 0.688 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CC1 604169326 SASYPVBAKIKNAU-HDICACEKSA-N 430.553 0.825 30 10 ICEE CCOC(=O)c1cnc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)s1 746325161 YGUOKMNIOHISDI-WUKNDPDISA-N 433.490 0.885 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)OCC 1132192307 CUSKDJMVXUQNBH-OAHLLOKOSA-N 443.909 0.611 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 1175515261 UZJQEJIKQWTBSW-UHFFFAOYSA-N 427.552 0.282 30 10 ICEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1226704212 XXJGRHVDHSARKL-RLFYNMQTSA-N 425.532 0.737 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1286386318 YJZZASDLJBVYDJ-IRXDYDNUSA-N 437.566 0.523 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@H]1C 1286786642 ICFZWPCYOLLQID-CQSZACIVSA-N 433.538 0.766 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1288841492 PRSICZINGAJZIL-KSMMKXTCSA-N 437.570 0.933 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1300281842 DSMALQJPKSEDDW-CQSZACIVSA-N 439.563 0.698 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC=C)CC1 1300715967 HQBHGAAGZJBZGO-QFIPXVFZSA-N 444.536 0.198 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1301596702 WPQXIHRDAPUPPD-XHSDSOJGSA-N 425.511 0.332 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(O)cc2)C1 1302483510 GOIQBEOVDIJRLQ-IRXDYDNUSA-N 448.505 0.094 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1356149658 LLCUVOWPGWDCTE-OAHLLOKOSA-N 443.547 0.839 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1359043754 HFRGEKJQUYDTHH-UHFFFAOYSA-N 438.536 0.690 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)CC1 1476643777 MSPUPVOXCRUIBD-UHFFFAOYSA-N 429.524 0.211 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507623303 QUGNDDPHSGMYOY-OAHLLOKOSA-N 448.553 0.000 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1508409654 CCFKKXODECQOEP-CHWSQXEVSA-N 432.572 0.309 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCc2nccn2C1 1510225494 VJSDYRAWUXAUSP-SOUVJXGZSA-N 434.526 0.076 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1516838542 PDZLQXKXZVROCZ-KGLIPLIRSA-N 432.572 0.248 30 10 ICEE COc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c(OC)c1 1538308389 CXVAQMYYUFJTDS-CKNLXJGOSA-N 433.486 0.453 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 1539902383 GFFZKROCPHINCI-CQSZACIVSA-N 427.575 0.952 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(SCCC(=O)OC)c2)CC1 1562565996 TXNKHCPHOLAGEN-UHFFFAOYSA-N 440.547 0.959 30 10 ICEE CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1568817104 LKEAKFFDNDJWRH-WBMJQRKESA-N 431.511 0.961 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(n2cc(Br)cn2)CC1 1611364974 DSIJWTPRKOJMGH-UHFFFAOYSA-N 438.307 0.990 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CCOC)C(=O)OC 1637199540 ANCOKWOCZIJSMD-LSDHHAIUSA-N 425.507 0.978 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1643372508 ONKBYRFVJBIMLJ-LJQANCHMSA-N 448.545 0.790 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 1650849194 XIWHIEMPDXMVGE-UHFFFAOYSA-N 439.437 0.206 30 10 ICEE CS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Cl 1681581257 CDVJFUGHQDPBSF-LRDDRELGSA-N 431.923 0.823 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689978351 TYDLJVBFCCKGBN-IRXDYDNUSA-N 436.582 0.383 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1690515951 XWDSEGSDKMRDKY-OAHLLOKOSA-N 435.554 0.790 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1692542137 DEXIPQHPUVVPQF-GJZGRUSLSA-N 441.483 0.501 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)[C@H]1CCOC1 1696628928 NOPTWJIDXJGXJK-KRWDZBQOSA-N 431.518 0.982 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705721186 OCWFLOWSVXWBAA-JSGCOSHPSA-N 439.542 0.231 30 10 ICEE CC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1705996253 RLBNJSGNQKCGGY-YISVQYQQSA-N 427.509 0.814 30 10 ICEE COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1712030853 FPHHLFHTATWOGV-ZBFHGGJFSA-N 449.537 0.801 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722491199 IMXTUAHFLQPZDI-NPJQDHAYSA-N 427.527 0.431 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1722703049 VCJIMVZMHFXFRQ-UHFFFAOYSA-N 448.531 0.901 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1722727950 QLGGHTJCRQRLAH-UHFFFAOYSA-N 435.554 0.632 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722731452 LGHGYKGLPSAHOO-UHFFFAOYSA-N 425.555 0.864 30 10 ICEE CCOC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729107933 SNFCUGDHPDAQRK-KIJUOZEOSA-N 445.524 0.806 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740615547 GUBZEZGEEBIKLG-IAGOWNOFSA-N 436.582 0.385 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1740623100 ODLOVLOAINHEDP-JKSUJKDBSA-N 426.564 0.750 30 10 ICEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1740668253 ISAVMRCURPHRLB-UHFFFAOYSA-N 429.506 0.945 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1740678658 PJQDIRYVIRBSKA-LJQANCHMSA-N 431.585 0.626 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)CC1 1740690909 PXVJOLINBNVXII-YJBOKZPZSA-N 426.612 0.929 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1741055282 HGDDAUBETFIHHL-UHFFFAOYSA-N 425.493 0.922 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nncn1C 1741904624 BUEDHDBXGZMJQI-ZDUSSCGKSA-N 429.510 0.573 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1747544467 BJMBXTUSDFOLEZ-UHFFFAOYSA-N 434.508 0.204 30 10 ICEE CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1748390694 ZLSKQUIVGAFLGR-NVXWUHKLSA-N 445.549 0.808 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1760357826 NXDAOZMOWWDUIH-CVEARBPZSA-N 426.543 0.942 30 10 ICEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760440278 GFKKEXAUYPPNSF-KRWDZBQOSA-N 432.525 0.256 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1770360759 QXPAAQFYGXNAAM-IBGZPJMESA-N 429.506 0.225 30 10 ICEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2ncc(Cl)cn2)C1=O 1854336107 BRWHMPHBPHYRPB-OAHLLOKOSA-N 426.868 0.743 30 10 ICEE CCc1nn(C)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2255629948 CSVRHOZGNRLMEG-UHFFFAOYSA-N 430.236 0.785 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)n1 2255633401 AKIZWRPPUFCYNS-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCCO)n[nH]2)cc1OCn1cccn1 59817889 YVYYLFOCAFYNSR-KEBDBYFISA-N 446.493 0.693 30 10 ICEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C(=O)C1=O 64835477 AEMUBBKGWLECLD-UHFFFAOYSA-N 437.518 0.714 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 474679590 FEYWQWDIWQGZNU-NPPFBWRTSA-N 426.473 0.880 30 10 ICEE CN(C)C(=O)Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 475797104 MZBITEHAQKZEOM-UHFFFAOYSA-N 445.505 0.381 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 476164920 UBFHFCGIDZHQCH-INIZCTEOSA-N 425.510 0.903 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 480527168 PQIQWBIDIZPQHL-UHFFFAOYSA-N 444.554 0.821 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488280309 MJMHKENENDZTNO-GOSISDBHSA-N 427.505 0.938 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCCO2)CC1 559187515 VRRKOVREBIHOKD-MSOLQXFVSA-N 434.541 0.359 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CNS(C)(=O)=O)CC1 581717469 CQGKDCYYNGHCOE-ZDUSSCGKSA-N 428.536 0.013 30 10 ICEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 585673736 QRMRYYKXWZDAFQ-XKYQPWCTSA-N 434.456 0.804 30 10 ICEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732648250 BHUVBWGFRMIOLK-QGZVFWFLSA-N 447.561 0.586 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763436945 WNVWQYFWYMPCBI-QGZVFWFLSA-N 444.557 0.473 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 769349355 PYZKWCPSNJCUAM-UHFFFAOYSA-N 438.475 0.692 30 10 ICEE O=C(N1C[C@H](O)CC(F)(F)C1)C(F)(F)C(F)(F)C(=O)N1C[C@H](O)CC(F)(F)C1 787828269 IVBRHWJWJAPCMW-HTQZYQBOSA-N 428.276 0.714 30 10 ICEE NC(=O)C1(N2CCCCC2)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1153451056 AULGQWBUXPLKFR-UHFFFAOYSA-N 433.534 0.058 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 1214631539 AIFLFUVNAKFBDU-UHFFFAOYSA-N 449.533 0.829 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1286388574 RRUBOUXLPLSKPX-INIZCTEOSA-N 441.517 0.757 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1286411076 YOLVTGAUFNBHON-HKUYNNGSSA-N 446.577 0.168 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1286472872 LZWOMIFTCBUMOJ-OFNKIYASSA-N 446.596 0.795 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CC2)CC1 1286490089 LFCPKWBBGGEDGG-PMERELPUSA-N 427.534 0.612 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286493974 YEUPPKOMVRORPA-INIZCTEOSA-N 437.566 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286816003 CAVUHORQWMAPOE-INIZCTEOSA-N 438.598 0.757 30 10 ICEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1290864915 DQEXDWYQCKDEGO-INIZCTEOSA-N 430.538 0.461 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1298971565 AHJNBJWITDEKKL-BZUAXINKSA-N 434.518 0.400 30 10 ICEE CS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1302495698 ITSDIHBSBRBUKV-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 1309802668 WHDBHLANGXPDRZ-UHFFFAOYSA-N 426.347 0.908 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1359298295 UOIWUVQLNCOUNP-UHFFFAOYSA-N 430.476 0.631 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359327199 VHFCYSRBCWGGBP-KKUMJFAQSA-N 449.599 0.350 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1360339958 YIJFENYQCDRKRK-MSOLQXFVSA-N 444.533 0.652 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1 1439772980 VCAMJYHPYIJTRK-QGZVFWFLSA-N 425.532 0.918 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)CC1 1449063109 QPJYCXYDXJMNRP-IBGZPJMESA-N 430.505 0.212 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)s1 1453568854 KESJGQHUGLEZTM-MJBXVCDLSA-N 434.561 0.025 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CCNC2=O)cc1 1462217391 GMAXHKQXQWXETL-UHFFFAOYSA-N 427.486 0.567 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)c1 1468154338 JXSHFWTXGKMCOL-NDEPHWFRSA-N 440.543 0.515 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 1473104045 UBRQGQJEOKWGQS-UHFFFAOYSA-N 441.513 0.786 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1505135265 QWQBVHQBBLIVAF-HXUWFJFHSA-N 447.517 0.769 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507631804 GHUHSINWHKJSPR-CABCVRRESA-N 444.579 0.232 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507636588 BAHVWLTWVJECLU-RKVPGOIHSA-N 426.564 0.624 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1507651876 CMKWJSAOLBLFJJ-INIZCTEOSA-N 448.574 0.773 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1507690110 PTBUBRLXONDQJH-DLBZAZTESA-N 447.565 0.530 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1508071484 JWAWXRJRKQHHAT-HNNXBMFYSA-N 436.480 0.661 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508072071 NVRLIEHGXKHUCK-INIZCTEOSA-N 431.541 0.461 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1508131344 LRQHBOMZMJSUSI-UHFFFAOYSA-N 442.505 0.953 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCCCO)C1 1519561571 CFDCNUUZPLHKSI-INIZCTEOSA-N 426.543 0.514 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)CC1 1521423932 YKUROGPDWQPHMV-ZFDMEJTGSA-N 434.522 0.267 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCS(=O)(=O)C(C)(C)C)CC1 1539431834 XDKDBLVZCZAURX-KRWDZBQOSA-N 441.598 0.971 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)C(C)C)CC1 1539445988 MUJJDGCIGDNWBX-UHFFFAOYSA-N 441.536 0.923 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540004634 CNGSNLXPTNTTHY-KXBFYZLASA-N 438.554 0.294 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1540200518 BKMSKBYFTAJFHF-MRXNPFEDSA-N 429.612 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540900801 ITNFTTBXPFBVLB-HNNXBMFYSA-N 433.538 0.440 30 10 ICEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589367402 TVUGFBRFYBUPFC-GFCCVEGCSA-N 434.298 0.339 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1595601917 AITPKTVLXJQFAD-JOCHJYFZSA-N 448.568 0.533 30 10 ICEE COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1619880744 CPGPUHLZMRLIDG-LJQANCHMSA-N 440.552 0.953 30 10 ICEE N#CCC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CC1 1622395670 GMOFVZGJKFCTAO-SFHVURJKSA-N 427.505 0.344 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCN(O)C1=O 1628547594 HKGCLQBXSUZKDR-KGLIPLIRSA-N 431.898 0.370 30 10 ICEE COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CCC1 1636122719 JUUZFHGYTYLTQB-YCRPNKLZSA-N 449.529 0.922 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)N2CCOCC2)CCCCC1 1647969768 BJOYBXYHLREBML-UHFFFAOYSA-N 434.518 0.403 30 10 ICEE CCS(=O)(=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1686786125 HFFMZDIIRUTTHA-UHFFFAOYSA-N 428.536 0.399 30 10 ICEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689943618 XJLHMINRJSJAFL-QGZVFWFLSA-N 430.509 0.050 30 10 ICEE COCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1698109277 ZQXVMBBGFCBBFC-QGZVFWFLSA-N 441.492 0.721 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1705624099 QFHKTPPOHMXXJT-NRFANRHFSA-N 435.492 0.485 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705632939 FTHBIPLIZBUEFM-INIZCTEOSA-N 435.554 0.654 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1705639190 INRIUUJAGUAQNY-OAQYLSRUSA-N 429.613 0.811 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705903570 YFRFSHYAPKJWJF-WBVHZDCISA-N 445.524 0.589 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705907223 DVYPBFATTXQVIY-CKJXQJPGSA-N 432.525 0.475 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722369092 YHBDFHANIBTTCH-OWCLPIDISA-N 444.579 0.232 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1740551601 LMDKMOAEVCDQFQ-AEFFLSMTSA-N 444.561 0.918 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCOC1 1740637090 PTCGPXOMDSYSGX-FQEVSTJZSA-N 428.518 0.462 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1740961890 LLROTVLXKORYRG-UHFFFAOYSA-N 430.484 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740985760 LBEZJXIABYHFEY-CVEARBPZSA-N 441.554 0.355 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1748790770 LZVHXMQEHVRJCZ-GFCCVEGCSA-N 425.433 0.607 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748803365 XZOUZINICRIPQS-UZLBHIALSA-N 437.566 0.692 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760191138 BKMMJJZCMXFRJY-HNNXBMFYSA-N 448.574 0.726 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760201901 MLOOLRLDFOTZGK-UHFFFAOYSA-N 432.484 0.806 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1760358070 RBDOLQFCKVIXBN-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1760529207 ZLTNCQFOLCGZQS-UTKZUKDTSA-N 434.541 0.585 30 10 ICEE Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)c1C 1772790807 HKNASETUCUZIFQ-AWEZNQCLSA-N 442.453 0.667 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C(C)C)CC3)CC2=O)CC1=O 1855890743 HHANFDUOXNWWRC-IRXDYDNUSA-N 425.551 0.846 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1891963899 MYNZUVNJQZMVMP-INIZCTEOSA-N 445.505 0.453 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676675 MBPAPFOUNJCEFS-LLVKDONJSA-N 427.332 0.944 30 10 ICEE CC[C@@H](O)/C=C/[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@H]2O 85553146 GZAYJWNDYQINEI-ABXCNNAOSA-N 431.441 0.003 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccccc2C)c1=O 512737579 GRFZECIICLMDIT-UHFFFAOYSA-N 437.525 0.690 30 10 ICEE Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1C 545506261 UJTJZYKEFAHCIY-UHFFFAOYSA-N 428.518 0.978 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 669810808 NGURMZRHOAWJCR-NEPJUHHUSA-N 425.433 0.565 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732649983 DTHAAMGZPPRASG-IBGZPJMESA-N 445.545 0.352 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763385901 ZWKKDDNWKQFUHQ-CQSZACIVSA-N 428.507 0.873 30 10 ICEE CC#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(=O)O 776589269 VCJXZEFJESUMEI-JTQLQIEISA-N 426.419 0.804 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cn1 794580596 XRFRTPLVDIPLMR-IAGOWNOFSA-N 442.541 0.804 30 10 ICEE CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cn1C 804944024 QBBVNJMIUDKXGC-UHFFFAOYSA-N 431.474 0.548 30 10 ICEE N#C[C@@]12CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@H]1CS(=O)(=O)C2 1134276181 SKFQHJLQZFCYOE-LRDDRELGSA-N 429.545 0.543 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286513638 XGUUWEQZGCXZKF-JXFKEZNVSA-N 434.566 0.853 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286607562 IBXKEPPGTUGTDL-HUUCEWRRSA-N 425.511 0.414 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286781590 VBEIQZLLVXAGJF-UHFFFAOYSA-N 432.529 0.056 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286809781 LDAJJLDKSHTJJI-OAGGEKHMSA-N 437.566 0.876 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1300392812 KQILDXHBZGFLCC-LJQANCHMSA-N 442.497 0.484 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1300647809 AMXLFWPAZAUNPO-UHFFFAOYSA-N 441.536 0.782 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301588863 KVRCYVFFTXKAOC-WBVHZDCISA-N 436.538 0.694 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1359333132 OTHKDFHTGPASMD-CVEARBPZSA-N 446.595 0.644 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1441314467 RKCZUBOLGICVPJ-DOTOQJQBSA-N 447.517 0.551 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1450469089 GUMPJTDBNKSTSO-UHFFFAOYSA-N 427.486 0.783 30 10 ICEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1456611853 HXMGNITYIRTZCQ-KBXCAEBGSA-N 427.523 0.535 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1507752065 UVNRRMLPNJKQAB-OWCLPIDISA-N 443.595 0.591 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508090514 ODNKVHOUHGYZFQ-UHFFFAOYSA-N 445.568 0.219 30 10 ICEE CCCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1514552007 OVGHDEPNNIUDJI-HZPDHXFCSA-N 442.542 0.156 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539206877 WLBFQRANJUHXKT-DOTOQJQBSA-N 436.538 0.411 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1539266933 VQAVJHNLOCLPPB-GOSISDBHSA-N 449.577 0.891 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H](C)C2)CC1 1539429722 CCMLJVXJAPHELO-MSOLQXFVSA-N 437.614 0.375 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)C2)c(=O)nc1O 1558805979 ZWZADYDLVFOXAP-UHFFFAOYSA-N 449.514 0.754 30 10 ICEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 1565630190 UISYOWNBZVYGQM-YVHXKWHWSA-N 444.488 0.784 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)C1=O 1585726154 XQDMHESWVBOPMW-AWEZNQCLSA-N 428.445 0.849 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589059516 GQUSLYUOLPGEAQ-JKSUJKDBSA-N 432.550 0.423 30 10 ICEE N#C[C@H](CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1630040086 CVGZNFOWVVXILX-INIZCTEOSA-N 430.486 0.984 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccc(C#N)cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1686682445 WALKKOWPKPJWQK-CVEARBPZSA-N 435.506 0.881 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689848855 CLIJKUXIZNLLRV-ZBFHGGJFSA-N 430.534 0.986 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690668125 UBWHPQDBDRYIOV-KRWDZBQOSA-N 442.568 0.623 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cccn2)CC1 1705907780 XJPOTWVMDOHSSG-UHFFFAOYSA-N 426.525 0.816 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)N(C)C 1706621132 IDPLZKDGUSEUBW-HOTGVXAUSA-N 440.556 0.743 30 10 ICEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1722680481 NMCZXKGGDSOLIC-UHFFFAOYSA-N 435.550 0.842 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1723564055 JKDJGAQOKZWPMD-XAJHFOFHSA-N 439.520 0.962 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1723694769 WMPOBXXRQQPJCI-LAUBAEHRSA-N 444.492 0.957 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1727654713 SUTPTDOTFWHYQI-MRXNPFEDSA-N 431.522 0.471 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730921947 BZACWWQHYOWDLN-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740716430 RCZUTOOXUZFYPZ-CYBMUJFWSA-N 437.547 0.996 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1748770377 AWCRWRJQNCIWSD-GFCCVEGCSA-N 436.929 0.897 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1748830466 WYPVOOFSSAJNCM-QFIPXVFZSA-N 428.537 0.167 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749663676 MOYJNMKKAFXNKY-KRWDZBQOSA-N 425.493 0.470 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1760163093 LMWQWORSIIWVCK-CQSZACIVSA-N 432.506 0.963 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1760190482 RDTMAFLCOUBPDQ-OAHLLOKOSA-N 431.522 0.010 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1760346305 RQLAVPAIPYWEFY-INIZCTEOSA-N 425.555 0.735 30 10 ICEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C(C)=O)CC2)CC1 1760405248 VBQOJMIWPRTVER-UHFFFAOYSA-N 429.569 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)CC1 1760556651 LDPMTWICJXLYJU-UHFFFAOYSA-N 443.533 0.444 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1760688477 IOBIFKIHSOSXEL-QFBILLFUSA-N 440.570 0.950 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771358127 GYWGHIYBJCDJLJ-QGZVFWFLSA-N 445.549 0.578 30 10 ICEE N#C[C@@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 461841739 DRXUNFMFRDJTMY-CYBMUJFWSA-N 432.458 0.326 30 10 ICEE N#Cc1cc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)ccc1F 488731462 YUOLAZCKRDUQNV-MRXNPFEDSA-N 445.538 0.597 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 514310589 HQCCQLWPKKOJRA-SJLPKXTDSA-N 426.516 0.326 30 10 ICEE CNS(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 559278645 FIIQSTWECTVRQK-CQSZACIVSA-N 430.328 0.212 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(=O)NCCCCC#N)CC3)C2=O)n(C)n1 584737838 VEMLAFVYQQXSBF-KRWDZBQOSA-N 429.525 0.178 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 767625914 FMPDYMNNZZPKBU-BMGDILEWSA-N 435.502 0.938 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781136625 MRWGJHFHYNSVRN-UHFFFAOYSA-N 446.536 0.768 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 813563880 PJUJINWYBYOLMS-ZLJPTIPZSA-N 434.566 0.127 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1286599534 ANMBSSDHVNWAFV-CABCVRRESA-N 426.543 0.292 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286600935 RAKIGZMNOPWORL-ZNMIVQPWSA-N 442.542 0.416 30 10 ICEE N#C[C@]12CN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C[C@H]1CS(=O)(=O)C2 1289437903 UPSFHTNPXUJXNA-QFBILLFUSA-N 437.543 0.872 30 10 ICEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291287412 BCLYSXBAVIPKSO-ROUUACIJSA-N 431.541 0.744 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 1298372164 MINXHQRTQTVGGF-KBXCAEBGSA-N 431.518 0.979 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300621962 SQKVMIQCALRUTR-IKGGRYGDSA-N 434.566 0.893 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccoc2)CC1 1300711623 FJGBHDNVWYVRSK-AWEZNQCLSA-N 434.522 0.495 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301236190 AWWPZKKSYFPHLM-UHFFFAOYSA-N 445.524 0.627 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301491199 FXRHKYSHVJKSJZ-AWEZNQCLSA-N 436.513 0.904 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302985338 KDOMGWSPMOFYJW-YPWSZFOLSA-N 443.508 0.938 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)C1 1303939279 CAMFMOBBQOADBI-LPHOPBHVSA-N 440.570 0.904 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc2n1CCCCC2 1316101158 HXOUODNEFQTKDM-OAHLLOKOSA-N 427.513 0.962 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358964762 GWTHYOWTRNSCKH-RXVVDRJESA-N 445.545 0.696 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NC)CC1 1359034042 AHNCUXNPASIVLC-UHFFFAOYSA-N 427.509 0.533 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359296572 NGFUWBXCRWKRLH-OAHLLOKOSA-N 447.517 0.989 30 10 ICEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1467765931 BMMDAPBGEQLUOY-FQEVSTJZSA-N 434.562 0.745 30 10 ICEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)S(C)(=O)=O 1502180247 HYYCJZXPKWBFSP-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1507654046 ZPUFDIHHJDQRBB-UHFFFAOYSA-N 439.501 0.606 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1508086387 KYCNGFGLGLKOOB-IAGOWNOFSA-N 441.540 0.656 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1539267096 WIGXZIPYMBGEFR-GOSISDBHSA-N 446.533 0.591 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540874335 CLLAFQWDXIKIET-JOCHJYFZSA-N 442.568 0.743 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1540897134 BOCHEJXJRSVEEG-IHRRRGAJSA-N 431.584 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1540907099 LIOLBHJOUKTCJD-UHFFFAOYSA-N 449.558 0.898 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1541733807 WGMDYWMIHVYIIF-GCKMJXCFSA-N 432.525 0.962 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1541803130 CVYZWGVAQYVVLU-IAGOWNOFSA-N 437.570 0.611 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCOC2)C1 1555812240 BOXQMCSLZMRPOI-SJORKVTESA-N 438.554 0.778 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1 1557332379 XUJZYHLNIKEEGO-YYHKSVKZSA-N 426.539 0.923 30 10 ICEE N#Cc1cc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)ccc1N1CCC(O)CC1 1566387838 ZEXJPTPPBZDYDO-KRWDZBQOSA-N 427.436 0.783 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588064994 QRWRMMLGUTYICN-SFHVURJKSA-N 444.561 0.663 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1588181319 REKOAYCUUXOQQG-JKSUJKDBSA-N 441.579 0.176 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1588984953 MXESADAOEUHZSC-UONOGXRCSA-N 444.583 0.532 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1594497391 GLQKMBPPIWVTDV-HNNXBMFYSA-N 445.611 0.864 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1595784006 ACLMKIUBCKHZHN-UHFFFAOYSA-N 449.581 0.143 30 10 ICEE CC(=O)c1cn(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)nn1 1606663226 LSILGJWMXLCEQV-UHFFFAOYSA-N 442.501 0.837 30 10 ICEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617607534 MITVSEOZPORFME-UHFFFAOYSA-N 437.508 0.196 30 10 ICEE CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)CCN2C1=O 1618461971 ITIONZBGQVGHHD-UVTIVQHFSA-N 442.524 0.658 30 10 ICEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1626656414 XZJQUWQEZKWHBD-XUWXXGDYSA-N 425.532 0.774 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 1634141021 IDHPECBGXFMWCP-UHFFFAOYSA-N 430.486 0.791 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)ccc1F 1651416515 BOQBLPSUVSYCJG-CQSZACIVSA-N 426.466 0.942 30 10 ICEE C=CCN(C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC)[C@H]1CCS(=O)(=O)C1 1671502135 COPOSYIOHJOUMX-AWEZNQCLSA-N 431.536 0.951 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1690219601 HPDCULKZDQRNLT-WDEREUQCSA-N 449.331 0.438 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1692774011 FMWYDPLXQODMPS-URLQWDBASA-N 438.554 0.966 30 10 ICEE C#CCN1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1705633591 UFEODXWBSZHMNM-UHFFFAOYSA-N 426.612 0.535 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(CO)nn2)CC1 1705782130 PKFINAWQZOKXRO-MRXNPFEDSA-N 435.554 0.757 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705935599 WOSHDFVVYNSNJG-INIZCTEOSA-N 427.571 0.809 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1722365991 GUJQZBHZLJPNET-HNNXBMFYSA-N 430.596 0.928 30 10 ICEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1724743994 FKHCHDNDFXUGAS-MSOLQXFVSA-N 446.533 0.697 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740621510 MMZGZIKYESDKGQ-QGZVFWFLSA-N 430.534 0.882 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1748672530 UYFXPNXSORGUCR-GMBSWORKSA-N 425.555 0.884 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748773301 WFFSENCMWKYRID-CVEARBPZSA-N 447.565 0.626 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1748948102 HXHVDUYKCLXBJY-OAHLLOKOSA-N 432.506 0.446 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749660475 QDPYYEARCRJVLW-UHFFFAOYSA-N 443.533 0.637 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749671752 HWEOGJXBBSIUCO-NVXWUHKLSA-N 431.468 0.670 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N(C)C)c1 1760128211 BPNRNYBDHWADAH-QGZVFWFLSA-N 437.504 0.764 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760190438 QRPGEKCERIHIFD-ROUUACIJSA-N 433.534 0.552 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1760219173 XFHXAONZVKSKPU-PMACEKPBSA-N 447.605 1.000 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1760250835 MTEPRNXQCBUBFV-UHFFFAOYSA-N 437.566 0.844 30 10 ICEE C#CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760286647 QHSGWVPLUXJGIW-SFHVURJKSA-N 428.580 0.920 30 10 ICEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760381541 PVQVBTWOEFYAMN-LJQANCHMSA-N 432.506 0.631 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCN(CCO)CC1 1870548164 VFEWBPSADQRBBC-FQEVSTJZSA-N 448.564 0.160 30 10 ICEE N#Cc1ccc(Nc2nc(N3CCC(C(N)=O)CC3)nc(N3CCC(C(N)=O)CC3)n2)cc1 1871730778 GVBUVDJIUHYTAT-UHFFFAOYSA-N 449.519 0.890 30 10 ICEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCC(CO)CC3)ncnc21 1873594681 ZJQAWLNFVMGEAG-UHFFFAOYSA-N 428.537 0.888 30 10 ICEE COCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccs2)c1=O 2059845924 PEVQONAUCLGBNM-AWEZNQCLSA-N 433.555 0.806 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2249538192 PUAUROVYSSJBFC-CQSZACIVSA-N 444.529 0.938 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255647370 XUOZTOJEWQHSIN-KGLIPLIRSA-N 434.302 0.486 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255651974 NRXIBVBTEYMFEX-UONOGXRCSA-N 434.302 0.798 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2267596015 HQJKXMNGRNQHDU-NSHDSACASA-N 445.251 0.645 30 10 ICEE C#C[C@@H](C)N1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2362118163 JMSXMZHIIPQYDL-AEFFLSMTSA-N 437.518 0.424 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 96090026 KKLNILXVEANYEE-FQEVSTJZSA-N 431.518 0.680 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)CC1 429080374 KSAPZZQGJKYMEZ-UHFFFAOYSA-N 438.550 0.236 30 10 ICEE CN1CCN(S(=O)(=O)N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CC1 505368438 KJZBVQMAGNJBRY-UHFFFAOYSA-N 435.525 0.365 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508803853 ZMUOIHOVKBENHG-ZIAGYGMSSA-N 438.558 0.903 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 585710065 FBFCCVQHEJTFPL-UHFFFAOYSA-N 437.431 0.202 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 609311416 YVUXDNDASSANOM-CYBMUJFWSA-N 444.469 0.255 30 10 ICEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730139531 QZBPCNZRRKLYEP-QGZVFWFLSA-N 430.534 0.694 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCS(=O)(=O)C2)C1=O 730141909 LRUONGILIIUBEE-HOTGVXAUSA-N 438.575 0.873 30 10 ICEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 730143853 DXCAEIQSLSRPOM-HIFRSBDPSA-N 437.570 0.427 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 812441004 RRWWJQSWMKAVQC-ZWKOTPCHSA-N 435.550 0.643 30 10 ICEE CCc1nnc(CN(C)C(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)o1 1084590148 JMXIEKARTDOSCK-UHFFFAOYSA-N 431.482 0.840 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1286294733 FQTWEYZRYDTCRW-SQNIBIBYSA-N 438.598 0.943 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286337249 YKKSSUPVFYWZJM-UHFFFAOYSA-N 441.536 0.131 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1286523457 WHHVPYCXGVGDQF-FXAWDEMLSA-N 447.565 0.808 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1286693400 OTKDZWZDGJENFA-CQSZACIVSA-N 425.559 0.849 30 10 ICEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1298105577 TVPRSGQEXPAJOD-UHFFFAOYSA-N 444.565 0.715 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501232 ICIKXFDYVYNAMH-HKUYNNGSSA-N 435.594 0.826 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1301613481 YYCICGYMTMLMRG-LSDHHAIUSA-N 431.584 0.755 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312469767 QDPQOIPFLNYLQD-ILXRZTDVSA-N 429.543 0.716 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1358967992 XCJSBHPEZOZXPQ-INIZCTEOSA-N 427.596 0.490 30 10 ICEE CN1CCn2ncc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)c2S1(=O)=O 1447588108 AEJRDPACHKYTOG-UHFFFAOYSA-N 425.474 0.719 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)C1 1456028498 WXYJVZFBRMDXGD-OAHLLOKOSA-N 442.335 0.765 30 10 ICEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)OCC 1462153962 CPCAEPURUQUCNJ-AWEZNQCLSA-N 433.914 0.850 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1471521611 LJYDTRCQODVVPB-WBVHZDCISA-N 426.922 0.841 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)N1CCOCC1 1505074406 SJHNWZWATFTSTB-MDKPJZGXSA-N 432.525 0.991 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632638 OOTLSWIBSAXMMF-KURKYZTESA-N 448.593 0.588 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637149 IILSPCVWOROXGG-KZNAEPCWSA-N 437.566 0.477 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507723768 TYBNIAFZDWPJDL-OTWHNJEPSA-N 443.596 0.872 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507874742 WJSZLRVGEXYOKC-CYBMUJFWSA-N 436.904 0.349 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1507934968 LFUVCJKABGAROQ-INIZCTEOSA-N 425.555 0.832 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1508140353 NJQVGGHJIHGJQU-INIZCTEOSA-N 434.522 0.201 30 10 ICEE CC(C)(C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508487747 NIGODONALVLDII-LKXWOGMASA-N 427.509 0.817 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1539265650 IIAITRRLYIYLKF-IBGZPJMESA-N 441.513 0.899 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1541911644 UTJWLERRKLQUGM-VBKZILBWSA-N 445.549 0.875 30 10 ICEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554491758 ZTEPZZQDOXUOBV-GDBMZVCRSA-N 425.497 0.642 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c(Br)cn2)CC1 1562611825 LJIPXINLJLYJDA-UHFFFAOYSA-N 432.300 0.470 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 1564351855 NUQITXOECDIHPL-LJQANCHMSA-N 447.561 0.015 30 10 ICEE C#CCN1CCC(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1564891447 RREZGGUGHXYVQJ-UHFFFAOYSA-N 434.518 0.228 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1588029173 DSOYWZAXLDJRFZ-CVEARBPZSA-N 428.580 0.853 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1588140434 XKHXYCLUKVKKNG-PMACEKPBSA-N 446.621 0.527 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1593884038 AXKFAELPAVKRMX-CYBMUJFWSA-N 448.933 0.252 30 10 ICEE CNC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(OC)c(F)c1 1627448787 QNJQFHBGGDKREG-DIGCTUSJSA-N 432.452 0.772 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)c(=O)nc1O 1648028689 KJROICLHXCWOJH-KRWDZBQOSA-N 443.485 0.447 30 10 ICEE C#CCN(C(=O)NCCNC(=O)c1ccc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1687029521 QHYFPSVEDYFJKD-CYBMUJFWSA-N 443.323 0.406 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690668243 XYAWZJVZRLANKN-HNNXBMFYSA-N 425.493 0.812 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1690669314 AMTIYLIGXZAHNK-UHFFFAOYSA-N 443.508 0.661 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1690958601 XXEVMFILIWKNHA-UXHICEINSA-N 440.504 0.964 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1705551223 JQJWALGDWXGXME-KRWDZBQOSA-N 449.533 0.746 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC 1705716297 GKTDYYVNKVGJOZ-QZXCRCNTSA-N 433.600 0.782 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)CCO1 1731187018 VZRCVOQRHNMQHL-CVEARBPZSA-N 427.465 0.850 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1740602638 QDSQVCOATOFIAO-UHFFFAOYSA-N 428.522 0.925 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1740621181 ULXHBFBOFKPLFJ-GOSISDBHSA-N 438.513 0.746 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748811028 AHSCMOKIZGBBMR-DNVCBOLYSA-N 433.559 0.835 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1749067548 UFJYTRVRTYXZBP-YLJYHZDGSA-N 447.565 0.890 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@@](C)=O)CC1 1750953933 HGEGGALXURIQHY-WJOKGBTCSA-N 443.533 0.862 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnnn2C)CC1 1760254717 HRQBPPSPIQLLRS-UHFFFAOYSA-N 444.341 0.978 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1760529145 XYHPEJIOROTLTK-IERDGZPVSA-N 447.540 0.273 30 10 ICEE Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)c1C 1772790809 HKNASETUCUZIFQ-CQSZACIVSA-N 442.453 0.667 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1=O 1856809354 VTFOCQTZDJUUKY-GXTWGEPZSA-N 428.438 0.717 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692372 BHIOTRAONIIMJW-GFCCVEGCSA-N 439.322 0.072 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2317676156 PZNCFXKQZWETQS-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 486649996 JAVKZGFPXAWDMM-HXUWFJFHSA-N 429.496 0.801 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Cc4noc(C)c4C#N)CC3)C2=O)n(C)n1 509639117 UIOWHLJKRJJPCZ-GOSISDBHSA-N 425.493 0.779 30 10 ICEE Cn1ccnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)c1=O 540552436 OPUBQSCTCSJHMT-KRWDZBQOSA-N 441.561 0.373 30 10 ICEE N#CC1(CS(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)CCCC1 545385593 DPTPLCBBZHBOEF-QGZVFWFLSA-N 433.596 0.612 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3ccccc3C#N)ncnc1-2 751075614 RLLSQMUSJKWTPW-UHFFFAOYSA-N 436.295 0.761 30 10 ICEE Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(C)n1 755159981 BVKSLSFPTZYANC-UHFFFAOYSA-N 443.485 0.655 30 10 ICEE O=C(N1CC(F)(F)C[C@H]1CO)C(F)(F)C(F)(F)C(=O)N1CC(F)(F)C[C@H]1CO 781332548 XVEJZUFUZWGCMX-YUMQZZPRSA-N 428.276 0.714 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)(S(C)(=O)=O)CC1 796382536 BMAUUCBLTJFLGN-INIZCTEOSA-N 440.566 0.999 30 10 ICEE CS(=O)(=O)CC1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)COC1 1163658350 LUWVCGAIXODHMF-UHFFFAOYSA-N 428.308 0.687 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1286432179 ZXHGGJKLSJVDAC-INIZCTEOSA-N 440.591 0.856 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286783139 LIWGLYQOWKKVCD-QGZVFWFLSA-N 441.492 0.915 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1286810184 OGAJVJRRYFWKTK-STQMWFEESA-N 433.481 0.343 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)C1 1286810500 SAALGQPNZIROIK-DAYGRLMNSA-N 428.580 0.830 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1300538137 NYNFOXZSIZMPLN-GOSISDBHSA-N 445.549 0.050 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300621964 SQKVMIQCALRUTR-ULQDDVLXSA-N 434.566 0.893 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1300699879 IUVLLUZKIOATEJ-IPMKNSEASA-N 433.578 0.917 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(CC(=O)N(C)C)CC(F)(F)F 1307582259 DPJMAGFBJBUVJO-ZDUSSCGKSA-N 427.431 0.338 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 1358967477 LBYWBQMXHPKHPR-KRWDZBQOSA-N 437.566 0.306 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358967566 NDMFIKZVPJLUHL-GFCCVEGCSA-N 437.444 0.120 30 10 ICEE C=CCOC[C@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1448493166 HAGULIKVXHSQBO-MMEWPQADSA-N 432.539 0.995 30 10 ICEE N#Cc1cn(CCNC(=O)c2cnn(-c3ccc(Br)cc3)n2)c(=O)nc1O 1453847578 ZTKGIESALJMRHN-UHFFFAOYSA-N 430.222 0.594 30 10 ICEE Cn1cc(CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1478417190 FBIXPQUHSSNWHE-QGZVFWFLSA-N 432.506 0.418 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1507623296 QUGNDDPHSGMYOY-HNNXBMFYSA-N 448.553 0.000 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507632262 KHKIOTAEHCPKPL-CVEARBPZSA-N 440.591 0.997 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508018557 GEFUWFXNXNZMPE-QFPXGYFVSA-N 446.533 0.885 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCOCCCO)cc1 1521101489 CCOXISMULYXOSD-JOCHJYFZSA-N 440.504 0.844 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1540908796 NXNNZLMITALSHQ-ROUUACIJSA-N 427.502 0.973 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 1558072677 APTZWALORXWKBC-UHFFFAOYSA-N 435.502 0.423 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC)cc2)CC1 1558075273 RUSFWNJUPXHGHU-UHFFFAOYSA-N 427.548 0.486 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588041175 VTGCGFOBXMTELM-QGZVFWFLSA-N 443.529 0.883 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1588385191 GBJXBSQITLTSIU-UONOGXRCSA-N 433.481 0.495 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CC)CC1 1588742381 REEJJIPTSAXYRN-ZWKOTPCHSA-N 437.614 0.518 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 1616147104 XKPFTYPKSSSHSS-UHFFFAOYSA-N 436.515 0.353 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689986653 UPVZLHKBYSWNBY-JMGYQRAPSA-N 435.575 0.821 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(C)CN(C)C2=O)CC1 1690138098 RWNPJVIJQAPVCX-ZHRRBRCNSA-N 446.552 0.446 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CCN1C1CC1 1698491238 VHLYHDUVFKVNKT-KRWDZBQOSA-N 433.582 0.806 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1740548943 CLNSPYOVCCURHV-OKZBNKHCSA-N 438.598 0.801 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1740581104 PORUYNOMRHHHGG-CQSZACIVSA-N 436.517 0.557 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740620972 IYVIHNLZPWIBNR-GOSISDBHSA-N 429.550 0.567 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740628264 OUVGAILLUBNAII-DOTOQJQBSA-N 435.506 0.939 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1740751481 KTNGPAVKMUYWSN-QXSJWSMHSA-N 440.570 0.536 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1748790207 GDBSTJKYLPKZKF-NVXWUHKLSA-N 436.538 0.576 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748798551 JHZPRIBZUQWLJN-UHFFFAOYSA-N 427.509 0.725 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1748819765 TVJMWVXGSISHPS-QGZVFWFLSA-N 440.533 0.550 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749026261 JHHATEQHTZJXOK-HXUWFJFHSA-N 437.533 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1749721751 SOYAANOOCDUKJD-CQSZACIVSA-N 426.543 0.074 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1750516980 CMNFEYQODXZYTR-KBPBESRZSA-N 445.567 0.122 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1750917652 VXPAZXADAZFJNG-QFPXGYFVSA-N 445.524 0.948 30 10 ICEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1751306787 SKXPSTQVOLBTEY-LIRRHRJNSA-N 432.506 0.804 30 10 ICEE Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762562233 DIKXDZWRIGXVRU-MKSIGINJSA-N 442.568 0.718 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767761989 FWLHTMXXZLUQBD-KIJUOZEOSA-N 431.497 0.618 30 10 ICEE CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769574906 CEQQENYTUBFHFE-QWHCGFSZSA-N 432.506 0.750 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)nc1 1851774040 DDTBLZUMJQRWCQ-SFHVURJKSA-N 447.561 0.823 30 10 ICEE C=CCNC(=O)NC(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195285723 JCBDMCDHOBNQHT-FOGNVHKLSA-N 439.490 0.905 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248443337 MUKFEHUXALRYCC-SFHVURJKSA-N 440.331 0.570 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2255875656 BORBTPSEKVVTKH-CLLJXQQHSA-N 433.318 0.709 30 10 ICEE C=CC[C@H]1COC[C@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344312125 JDYXTERSBJQQFM-GVDBMIGSSA-N 426.491 0.965 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C#N 512726028 SGYBYMDUJPRZKI-UHFFFAOYSA-N 430.493 0.792 30 10 ICEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574144786 ODCHIXWZQLHWRJ-ZWKOTPCHSA-N 433.534 0.725 30 10 ICEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@H]3CCCO3)c2=O)cc1F 576425949 RUTQJOPSPLCLCE-CQSZACIVSA-N 431.489 0.876 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 729335929 XOCRTQROGLYPRO-KXBFYZLASA-N 429.498 0.111 30 10 ICEE COc1ccccc1NC(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 750514961 AGHIGSTUFLVKBW-DQRAZIAOSA-N 441.488 0.694 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 771790322 GUEHNZVKQOYYAX-ATQAJOFPSA-N 438.440 0.427 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O 771865540 PUUBNRKVZBNVSE-QGZVFWFLSA-N 447.536 0.975 30 10 ICEE C#CCN(C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774162381 IJZOSRRLWLRDRD-IBGZPJMESA-N 432.546 0.921 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CC#N)CC1 819463514 HYNJMBRMCDFGFS-INIZCTEOSA-N 431.518 0.724 30 10 ICEE N#C[C@@]12CN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)C[C@H]1CS(=O)(=O)C2 1134280134 UGDXCHXIKMPQKQ-LPHOPBHVSA-N 437.543 0.556 30 10 ICEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1163652762 ZPZPWTUACRBFNE-CTNGQTDRSA-N 425.533 0.776 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1286282558 OANPXKZPRDIROA-VLIAUNLRSA-N 434.518 0.970 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)CC1 1286470593 AELBHHPEPLNPNP-IRXDYDNUSA-N 436.582 0.460 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1296663709 JRAWLSCZEHSPIM-RXVVDRJESA-N 434.541 0.771 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300490881 CMXLMRQMDSHBPG-MRXNPFEDSA-N 439.501 0.814 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H](C)C1 1301726758 YWQSWCWUWZULJD-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1359025544 RVVOUSCBSVWQLW-HOTGVXAUSA-N 425.555 0.743 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1359297077 DQUYMYRULQHEKT-UHFFFAOYSA-N 435.488 0.912 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)CC1 1466100624 QFKDMXJMHWURNQ-UHFFFAOYSA-N 447.517 0.343 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)c1cc[nH]n1 1470498254 PCXKDXOKAXANSP-PWSUYJOCSA-N 433.387 0.609 30 10 ICEE C#CCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1471937551 LSCIDHVETQCRET-INIZCTEOSA-N 437.518 0.823 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1505134769 LMISVYLFELCBNQ-UHFFFAOYSA-N 432.506 0.204 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)CC1 1507720387 ULJCCDKNSUHXAB-URAOTHONSA-N 435.594 0.985 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([S@](C)=O)CC2)CC1 1507885287 WNOSGFUJHHOOOP-JMGYQRAPSA-N 443.595 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508133152 CTNUPCZQCXBHHO-HUUCEWRRSA-N 438.506 0.808 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1508312158 BMJJWOSPLJIAQZ-GOSISDBHSA-N 445.549 0.861 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1524854851 YGQCAYLGTIYDGZ-NVXWUHKLSA-N 443.547 0.561 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539221458 OMPCZYSWBMONCA-IAGOWNOFSA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539226272 WQKIPYXYKMYHAH-QGZVFWFLSA-N 428.518 0.193 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1539266935 VQAVJHNLOCLPPB-SFHVURJKSA-N 449.577 0.891 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(O)CCOCC2)CC1 1539477452 MZUITZXCOZEEGJ-UHFFFAOYSA-N 441.536 0.576 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1540861725 DJXXYYSFOFSXJT-UHFFFAOYSA-N 447.569 0.595 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1540905913 XDPBBNGNYGJONZ-CVEARBPZSA-N 446.595 0.644 30 10 ICEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552876676 IYIBBOFYPKNHRE-SFHVURJKSA-N 430.557 0.155 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnnn1C 1554327292 FUIJOJCWLAMIMF-CYBMUJFWSA-N 432.286 0.952 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)s1 1557811594 FWINPSYDKJRICC-ZDUSSCGKSA-N 435.593 0.543 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595664699 JCCCZWOPTFENRH-HZPDHXFCSA-N 440.570 0.479 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCCC2)C1 1620170589 GJXLYHTVRGGKPX-WMLDXEAASA-N 442.517 0.358 30 10 ICEE C#C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1622179852 BOLORCMBZVYFOB-CQSZACIVSA-N 436.353 0.535 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2N)CC1 1623499349 ZVUKSULTMGHOIN-UHFFFAOYSA-N 426.258 0.381 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1628036702 WJCHNISFBDIVOO-GJZGRUSLSA-N 431.555 0.998 30 10 ICEE C#CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1635160365 KWDUWTRFZYONJU-LJQANCHMSA-N 435.546 0.930 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1 1645842327 YRXITFJCLAXHOY-HXUWFJFHSA-N 437.518 0.241 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689977728 BMDVIJVGJXTIKJ-FGTMMUONSA-N 449.577 0.813 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689979535 CSJLGQFBRSQGBT-LSDHHAIUSA-N 443.595 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC)CC1 1690137728 HOVQJNIRFHDNGY-NRFANRHFSA-N 432.525 0.032 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1705662368 XHCBMWMEWCMLGR-HUUCEWRRSA-N 429.568 0.203 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705938392 XHDOVJRPYTZVCD-DLBZAZTESA-N 437.566 0.864 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1710730981 BGIIAXXGMHHAGS-QGZVFWFLSA-N 445.549 0.843 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722534706 PKDAZKJFVZSOCL-UHFFFAOYSA-N 428.497 0.792 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CC1 1722574541 MTAWMOOLZGVLDJ-ZDUSSCGKSA-N 434.588 0.230 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740617738 WPFUTMKUVDYBHK-JXFKEZNVSA-N 440.566 0.716 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1740689269 UCKXQYVTNYMGKL-UHFFFAOYSA-N 443.596 0.817 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749369102 UVRXYSCCMMMXBF-GJZGRUSLSA-N 430.506 0.335 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1749649951 DCOCOYRUFPPXDX-UHFFFAOYSA-N 445.568 0.947 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749676522 UBXUAYIXVJVRCI-HNNXBMFYSA-N 433.538 0.036 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760556718 NYNSSMRPEVOUTJ-SFHVURJKSA-N 448.549 0.206 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)CC1=O 1856351782 UARINKDHVISHMK-SJORKVTESA-N 437.562 0.297 30 10 ICEE Cn1nc(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 2312854686 RODJZWQHFQEVNV-JHJVBQTASA-N 433.318 0.852 30 10 ICEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC 31248549 JFMSKBYSBFUTHG-UHFFFAOYSA-N 425.507 0.595 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 492321653 SMTKOJPLOYGZCM-KSFYIVLOSA-N 433.553 0.570 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3CCOC[C@H]3C2)CC1 541701402 RDPIRVXKODOANS-MRXNPFEDSA-N 426.477 0.471 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C[C@H](C)O1 544746776 YGUFKKSQTWFJPS-HOTGVXAUSA-N 434.584 0.372 30 10 ICEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1 556540623 HOLUUDCCQGZWGL-KRWDZBQOSA-N 434.460 1.455 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727417554 HHFZJQOPUYHGQS-UHFFFAOYSA-N 438.509 0.796 30 10 ICEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732700095 FLMIFGZPWHEKHR-GOSISDBHSA-N 434.541 0.885 30 10 ICEE CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2O1 732706354 NDOHPNXONXCJLJ-VQIMIIECSA-N 425.489 0.506 30 10 ICEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CCOC)c2)c1=O 758068006 JQOJFSVKKISQGF-UHFFFAOYSA-N 448.504 0.780 30 10 ICEE C#CCN(C(=O)NCc1cccc(OCCN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 774195424 IUGBOORSUJLSPR-IBGZPJMESA-N 435.546 0.730 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C#N 917795289 MPLKVHPUMIXTKW-UHFFFAOYSA-N 444.520 0.926 30 10 ICEE C#CCN(C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)[C@H]1CCS(=O)(=O)C1 1125954492 WBNKLYVACOWOSJ-AWEZNQCLSA-N 425.511 0.455 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]([C@@H]2CCCO2)C1 1133978580 RIYVMOQASXGZIP-KBMXLJTQSA-N 435.502 0.684 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286350159 WHTPTEBKLKUNMZ-CQSZACIVSA-N 434.522 0.114 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286392651 JDODYCPWJQWFBI-KURKYZTESA-N 438.550 0.604 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1286547303 OBXJWRXFYHWCMY-FUHWJXTLSA-N 434.541 0.693 30 10 ICEE CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297354778 LPFHEDRLWHAQNS-MMYRVIJDSA-N 443.508 0.303 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300673581 QKMJTVSYEJPEMM-GOSISDBHSA-N 432.550 0.774 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301257856 FHHBQZGZZOROIX-NVXWUHKLSA-N 425.555 0.830 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1=O 1301927405 FELKDULRNSUJER-UHFFFAOYSA-N 441.492 0.112 30 10 ICEE C#CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1306739876 YQBCUYCBLBJNGC-UHFFFAOYSA-N 427.548 0.654 30 10 ICEE COCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1316020198 VXBSUOKPVNXOPZ-VLGSPTGOSA-N 431.497 0.513 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1359040520 YJLZGHXKINKUKI-UHFFFAOYSA-N 430.553 0.824 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359335724 SOHYQWZEHHGXSE-LJQANCHMSA-N 441.554 0.246 30 10 ICEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1441314485 RKCZUBOLGICVPJ-WBVHZDCISA-N 447.517 0.551 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)CC1 1471232825 UHGNUOBSWOEXQD-UHFFFAOYSA-N 439.444 0.915 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1 1479315040 YXVOJPLGSBRGGC-AWEZNQCLSA-N 425.477 0.244 30 10 ICEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507596929 RKGXSEJJNCQOKB-OAHLLOKOSA-N 428.497 0.010 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507687584 QYMWWLHOXFZURG-MRXNPFEDSA-N 430.534 0.987 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507732844 XZGUBZDYBPICCC-RJCBAWPRSA-N 425.493 0.064 30 10 ICEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507970551 BIJAHIRPJUADQD-UHFFFAOYSA-N 425.493 0.400 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508091662 NETNLGPAIDMRRZ-QGZVFWFLSA-N 449.581 0.845 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508141169 LOTJCBJFCBVEJQ-GDBMZVCRSA-N 433.538 0.557 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539210305 BHLSVXITTVQIGE-SFHVURJKSA-N 440.529 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539221834 RFAXMOAUJJIAON-HOTGVXAUSA-N 437.566 0.714 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540035470 CXMOSXHFGAWUHT-CVEARBPZSA-N 446.595 0.786 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1583203295 XGLOYUATILCCQH-UHFFFAOYSA-N 430.446 0.377 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)ccc1F 1607280094 UXNNLPHNBGKQAL-STQMWFEESA-N 428.438 0.324 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1611686102 AGFXCXLSIXTLSB-KBXCAEBGSA-N 443.549 0.441 30 10 ICEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CN(c4ccc(Cl)cc4)CCO3)C2)c(=O)nc1O 1636959776 XAQWWYXWYWQAIV-QGZVFWFLSA-N 444.879 0.946 30 10 ICEE C#CCN(C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCS(=O)(=O)C1 1660319011 WJMZKLAZJOSMCR-GJZGRUSLSA-N 428.536 0.514 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)CC1 1664525595 WDIXJAWVZAYLJK-UHFFFAOYSA-N 436.509 0.117 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC(C)C)CC1 1690375855 VTLOJZGQTWPTRL-OAHLLOKOSA-N 426.543 0.292 30 10 ICEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1695537306 GKAINTDNORQBJM-NQIIRXRSSA-N 444.561 0.897 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705564547 PAYBSJSTIDFXBG-JKSUJKDBSA-N 449.558 0.402 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568414 NEFYYXDIBMSKMX-MRXNPFEDSA-N 437.566 0.842 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1705843526 HTLPNKFLPBDQLK-GFCCVEGCSA-N 431.469 0.873 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1705925900 VTXIDZWMLBOBGP-JKSUJKDBSA-N 439.538 0.804 30 10 ICEE COC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711468755 MOAWVYMDCMXNDH-FOCLMDBBSA-N 431.497 0.990 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722535621 LSYZTDSTGACOLR-INIZCTEOSA-N 445.524 0.466 30 10 ICEE CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1727291229 DJUBPQGNHJIEDX-WMLDXEAASA-N 444.533 0.604 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1729342836 JNQKCYYEPDUWNS-IAGOWNOFSA-N 443.533 0.423 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1740685281 DQGKUEATONBOEO-HOTGVXAUSA-N 443.595 0.450 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1740686376 RWAAPIIAQYCATN-INIZCTEOSA-N 437.566 0.715 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1740687022 ZKERGCXHFDHKQE-MRXNPFEDSA-N 432.550 0.776 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1740702862 AKGJVCQZYMWYNY-OAQYLSRUSA-N 432.594 0.760 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)C1 1741987697 HGFWISRAOZVDHQ-HXUWFJFHSA-N 427.513 0.705 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1743199471 KUDGNCMXIMUMST-DPHDRGAJSA-N 438.492 0.477 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1749655809 SLPVIKXGCJIOLC-UHFFFAOYSA-N 448.549 0.724 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682406 SYBJESGWUJKLON-QFIPXVFZSA-N 448.568 0.926 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749730429 DONPBTMNBVBDDD-ZBFHGGJFSA-N 431.522 0.583 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760192127 DWOLQEKYSHJHCN-JZXOWHBKSA-N 449.533 0.974 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C1CC1 1760200884 WFUCCTJAJSPSRD-UHFFFAOYSA-N 439.545 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760558242 JYTVTOOCBIZSBG-INIZCTEOSA-N 441.554 0.243 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)c(=O)n(CC)c(=O)n2CC 1849027273 QGFJYUZQMQGHKC-QGZVFWFLSA-N 434.518 0.610 30 10 ICEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C1=O)CC2 1856549150 WKPVQKWGKCHZSH-FUHWJXTLSA-N 434.562 0.944 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 438260080 OGJBJENCRCXFCW-MRXNPFEDSA-N 430.505 0.503 30 10 ICEE CN1CCN(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)CC1 735364655 XZYIJINZWDPOKH-UHFFFAOYSA-N 427.958 0.852 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN2CCCN1CC2 819688779 OJTZIMDMBONEHB-WMZOPIPTSA-N 433.578 0.646 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1286402790 DPEZPCCYRJWLPM-UHFFFAOYSA-N 439.339 0.668 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286611636 MNXSHRMYVAHCPQ-HZPDHXFCSA-N 430.513 0.907 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286819775 VPCRRLDGAIZHMN-HOTGVXAUSA-N 433.538 0.905 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1292889667 JSQHBAIHMFHXFJ-IBGZPJMESA-N 448.564 0.686 30 10 ICEE C#CCN(c1nnc(COCC)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300505164 YNSUZCAVMSHKDP-QGZVFWFLSA-N 437.566 0.844 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1300699881 IUVLLUZKIOATEJ-QRVBRYPASA-N 433.578 0.917 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1301258374 QYWSONYAQFCSJN-BBWFWOEESA-N 443.570 0.817 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1301489787 BSLQFGYXFHXKFK-OAHLLOKOSA-N 436.875 0.991 30 10 ICEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1309340112 GNEBEFMEFSPSFG-INIZCTEOSA-N 431.511 0.821 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1316264745 SEWCPKGNFKFAAB-UHFFFAOYSA-N 448.549 0.998 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1358966372 NKOZYLXFKIETIC-INIZCTEOSA-N 426.564 0.458 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1358979178 FNFQCKFHWAFPEQ-INIZCTEOSA-N 448.574 0.751 30 10 ICEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359202445 SOIWGYUPEZRVTP-MRXNPFEDSA-N 429.525 0.513 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1359281703 HJVCOHWIBPNYFN-KRWDZBQOSA-N 439.582 0.684 30 10 ICEE COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)c1 1463732781 DGSQAXLZRUMZFC-DOMZBBRYSA-N 434.312 0.892 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O 1468426032 PRGVQDMUWRLWSA-GFCCVEGCSA-N 437.250 0.801 30 10 ICEE CN(C)CC#CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1471630146 LJTGBNLBHFGYLE-BBWFWOEESA-N 435.525 0.775 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1505314204 AHRLIERJLLASTB-SUMWQHHRSA-N 439.473 0.332 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cc[nH]n1 1507543312 OJHNKKNWYFVIAZ-CYBMUJFWSA-N 426.506 0.881 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCS(=O)(=O)NC)c1 1507552921 VPBXPEVCBCYZRU-UHFFFAOYSA-N 430.534 0.836 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1507716425 RBSBAODEIVDVME-IBGZPJMESA-N 429.569 0.238 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1507723268 BMLUETYQWKEMAZ-UHFFFAOYSA-N 434.504 0.083 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539803363 ICBUOPFOATWCEW-STQMWFEESA-N 437.975 0.403 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(=C)C 1540870980 AZHJTPPVAPGWQF-HNNXBMFYSA-N 426.543 0.316 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540901669 LVMSRDVHIRLPAE-UHFFFAOYSA-N 447.565 0.728 30 10 ICEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1558206978 GEOZWHOOJLCPTA-ZOBUZTSGSA-N 449.529 0.678 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1559651607 NBRIWXMOHDKECP-NVXWUHKLSA-N 436.582 0.860 30 10 ICEE C=CCCn1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nn1 1568832604 CMHMYYBJBJPFNM-INIZCTEOSA-N 426.525 0.431 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1584756788 UXHFLWXVQQZBEO-RBUKOAKNSA-N 430.553 0.839 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC(=O)N1C 1612918322 YUAAOYGEEOUAQK-BBRMVZONSA-N 436.476 0.472 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)s1 1629524388 SSYDZGIRSRORJK-JSGCOSHPSA-N 444.531 0.708 30 10 ICEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CCOC1 1633316041 GCNQXXXMCOACAK-OAQYLSRUSA-N 449.529 0.854 30 10 ICEE CC(C)(C)OC(=O)N(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C[C@H]1CCCO1 1639175640 VGYWFNDMNYSMLN-KHYOSLBOSA-N 427.523 0.799 30 10 ICEE C=CCC1(O)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 1681525108 OOMXIYNISFYRQY-UHFFFAOYSA-N 437.566 0.646 30 10 ICEE N#Cc1ccc(OC2CCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)c(F)c1 1684633314 QBERWSSYJBQSJR-OAQYLSRUSA-N 432.452 0.878 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1690039410 FCQWDIZCIMTGLF-QFIPXVFZSA-N 429.488 0.862 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690674662 AMDTXRHWDYTMBV-INIZCTEOSA-N 435.554 0.455 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1705494980 JAEYIDBKJMTBFU-WMLDXEAASA-N 446.533 0.216 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705566944 RZVDOFHXKGKZBB-FUHWJXTLSA-N 447.565 0.026 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705567550 YSCJNJHVWKLNEX-VVLHAWIVSA-N 435.550 0.671 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705584852 ZVFJEOLPZVHAPL-UHFFFAOYSA-N 441.495 0.600 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705909140 OPRJHXRMHCGASH-PGRDOPGGSA-N 448.568 0.391 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCOCC1 1706861549 HOFCMHORNMWOLD-CQSZACIVSA-N 426.543 0.560 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1712877250 GEIURXWOMDQBFC-OAHLLOKOSA-N 428.518 0.953 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722528082 CVACBEGYPJUUBE-BBWFWOEESA-N 443.570 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722724705 DEUHPRZRFYMYIL-OAHLLOKOSA-N 438.554 0.218 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1730957003 TXAKICDODUHFMK-KSZLIROESA-N 434.541 0.842 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](COC)OC)CC1 1740838978 DBIMUFUTUKSUFL-IRXDYDNUSA-N 443.570 0.675 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740957441 ODOQYNVJEVMPDO-UHFFFAOYSA-N 447.565 0.893 30 10 ICEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1748968112 ANDJTRAYCCTKSP-UHFFFAOYSA-N 438.488 0.674 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1749015456 WNFSXFCFGAVCKS-SFHVURJKSA-N 449.577 0.573 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2nnn(C)n2)CC1 1749015688 JDQXLVKIUYYDGM-UHFFFAOYSA-N 447.547 0.991 30 10 ICEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749039745 ZXYJEMAEDIDERH-QGZVFWFLSA-N 446.577 0.813 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749668696 CVEXWWOFBJBXLV-CHWSQXEVSA-N 430.431 0.589 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1749682428 UCFJLYCHGKCDPX-JLHGSKIFSA-N 446.552 0.868 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CCO1 1750013493 HACBXAYCCZHQSW-GOSISDBHSA-N 435.492 0.827 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760097581 HHOOFWHPOVMNLO-UONOGXRCSA-N 430.534 0.680 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760184571 KGJDPKQBZCFPRY-OAHLLOKOSA-N 426.506 0.452 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC=C)CC1 1760273449 VBPTUWCHOOGPKW-QGZVFWFLSA-N 435.550 0.696 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760449105 ALRMFQGEYKROSQ-MRXNPFEDSA-N 442.524 0.947 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1760555943 QVULEZFOZJUYJV-INIZCTEOSA-N 441.554 0.591 30 10 ICEE N#Cc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1892004984 GGOARCDGGGKFMJ-UHFFFAOYSA-N 428.470 0.948 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2303957343 UTHQPSCERGXETE-UHFFFAOYSA-N 443.331 0.629 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1 522309057 WAEGRMYTWMDERY-UHFFFAOYSA-N 425.415 0.878 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 555159029 RDFNSUNWYUCQGU-AWEZNQCLSA-N 440.547 0.252 30 10 ICEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 585673573 IOEYYFOKJAHJBY-DHRGZOCTSA-N 435.444 0.199 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2C[C@@H]2CCCO2)CC1 603801171 ZESZTUBPEGVLFT-KRWDZBQOSA-N 442.541 0.349 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 669814698 JXQQQRPUKIXBDZ-IAGOWNOFSA-N 440.570 0.098 30 10 ICEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1cccc2c1CCN(C)C2 732152851 CAEOLPRTDQCKPB-LSDHQDQOSA-N 435.488 0.820 30 10 ICEE COc1cccc(CC(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 732465664 HQEDTNQRQGOLSK-MRCUWXFGSA-N 441.488 0.618 30 10 ICEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 741826936 WHROAYJCZKSYFS-ZDUSSCGKSA-N 445.501 0.887 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 770650973 HCXLXNZEFHJQBN-SECBINFHSA-N 431.966 0.616 30 10 ICEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cn1C 1156246827 BVFWOPNUWRNMDP-MRXNPFEDSA-N 431.522 0.767 30 10 ICEE C#CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OC 1161365466 TXTVLDHRKGOUNY-STQMWFEESA-N 426.447 0.291 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)C(F)(F)F 1166281730 JRJMHSBKTWXLQS-UHFFFAOYSA-N 427.426 0.556 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286388165 YXBAYXVTXLTNRQ-UZLBHIALSA-N 433.534 0.754 30 10 ICEE CC(C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287200136 BCFZEEAIWVIPOT-UHHPSXQGSA-N 442.524 0.968 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300497489 ZAZVDNZUZYTKQI-IAGOWNOFSA-N 435.550 0.673 30 10 ICEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 1304596733 UUNRROLRNJZERS-UHFFFAOYSA-N 430.530 0.887 30 10 ICEE Cn1ncnc1C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1308052448 PVTVGUMAPBNFQJ-IBGZPJMESA-N 441.511 0.647 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1313497566 GVWZLTNBNQBHPS-SJLPKXTDSA-N 437.504 0.970 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)c2ccccc2)CC1 1359034436 QRCIACVNNKLDQJ-UHFFFAOYSA-N 439.545 0.908 30 10 ICEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCS(C)(=O)=O)C2 1360848788 FEMMVVWOMHTANU-LJQANCHMSA-N 430.490 0.892 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(C#N)c(Br)c1 1438311042 PZMZSWCUMKDFOF-GFCCVEGCSA-N 445.291 0.888 30 10 ICEE COC(=O)[C@H](Cc1cncs1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455474510 RQBPEIYCMBWRSJ-FZMZJTMJSA-N 436.515 0.861 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1CS(N)(=O)=O 1460857350 BXSBOCQKTJDTAM-PMPSAXMXSA-N 425.580 0.313 30 10 ICEE Cc1cc(C)n(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1492761195 FWVRTKUJALQKSD-IAGOWNOFSA-N 433.538 0.813 30 10 ICEE CC[C@@]1(C)CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1497592407 YPXCNHAQESOGFX-RGJVZEKDSA-N 445.524 0.948 30 10 ICEE CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCC1 1502395731 HRWSOORDGVVMTD-KBPBESRZSA-N 425.559 0.791 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1503437864 LOEDEKIJVMJHGM-RBUKOAKNSA-N 440.504 0.652 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1503822902 PMCDFVHTDUFBEH-UHFFFAOYSA-N 426.525 0.856 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507633661 UMEUFYLWRSHIPR-HUUCEWRRSA-N 438.531 0.448 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2CCCO)CC1 1507726548 IRYHZEMAFQCTOO-OAQYLSRUSA-N 440.596 0.742 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508058993 JYAORLFLVHIMMN-MRXNPFEDSA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1508092613 RPPIMDIJRMVBBT-CVEARBPZSA-N 440.570 0.538 30 10 ICEE COC1(C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517897003 QMYGNEDWAADAJT-BMRADRMJSA-N 429.481 0.266 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1539013601 JBUZPNIHHQSLPQ-SUMWQHHRSA-N 435.554 0.468 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1539266130 MHMFOGXCGZWKNF-KRWDZBQOSA-N 440.508 0.836 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CC1 1539431843 XITLQSDIXYSLSY-HXUWFJFHSA-N 439.582 0.509 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1 1540054477 QEPIVWYLOFYSKK-FQEVSTJZSA-N 434.566 0.884 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1556704220 XEELQOGATOTUEK-MRXNPFEDSA-N 439.559 0.643 30 10 ICEE CC#CC[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583661331 DAQSDTZYFFSMDH-HIFRSBDPSA-N 449.451 0.508 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)c1 1587683906 PTIPQYGYTZLSEY-UHFFFAOYSA-N 431.518 0.582 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588263387 TYBQOROINVLPFW-OAHLLOKOSA-N 431.522 0.666 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC#C[C@@H]1CCCCO1 1606801023 BKQGIUNULNWQDV-WMZOPIPTSA-N 436.530 0.917 30 10 ICEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1620626396 QGEBAQSZVOMJJX-OAQYLSRUSA-N 442.472 0.831 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1=O 1631461623 YKXGVVPJLGAYKQ-CYBMUJFWSA-N 443.378 0.829 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1689966594 WLNVBDXWAGBJIF-HNNXBMFYSA-N 437.547 0.140 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1690094167 UWNXMPHXIYTMDM-ZIAGYGMSSA-N 433.625 0.823 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1690734099 VOOISLSHFBBAME-KBPBESRZSA-N 428.584 0.619 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1698492874 GRLYXNIXFRMYEE-GUYCJALGSA-N 438.897 0.272 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1705571005 UCPMHSFRLDKNOC-OALUTQOASA-N 437.610 0.950 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)CC1 1722432717 ZMFZULWBYOPHPM-HNNXBMFYSA-N 433.538 0.095 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722697879 SNKMSWWQOCRVEZ-LBPRGKRZSA-N 438.510 0.177 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1730994309 CLDWPPTWEUNXLK-DLBZAZTESA-N 447.517 0.883 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1740685330 MAJGQSNWUDBVLU-MRXNPFEDSA-N 426.539 0.545 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1740698264 CKCKHJCFCOLGRR-IBGZPJMESA-N 440.596 0.863 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1741983221 IEJYLOMBMDXSQQ-LRDDRELGSA-N 448.471 0.989 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748814277 CKKFQBBMCKFVIJ-CABCVRRESA-N 448.574 0.978 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748816457 ZVPQWIFHMLYORF-SJORKVTESA-N 449.577 0.941 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CC1 1749328691 AMUZTNDGJCGLAY-NSHDSACASA-N 438.476 0.969 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1749873176 BLBWJGRXYIPSPN-UHFFFAOYSA-N 433.538 0.134 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1750153631 QXBDICIXPASQRB-SCRDCRAPSA-N 432.403 0.409 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1760161108 AGLRQXFTINMGRE-RDJZCZTQSA-N 425.555 0.934 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1760182716 LLBINPMBXPVDDW-HNNXBMFYSA-N 449.537 0.367 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CC=CCC1 1761498501 GIVZCERUQTVUTE-WMZOPIPTSA-N 448.597 0.327 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1765636025 VDFHFOKMIZPVGE-UHFFFAOYSA-N 438.536 0.601 30 10 ICEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768153560 HYXJAJISENTTJQ-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCCCC2)C1 1770349290 GUSOGCBBDIONSW-IAGOWNOFSA-N 438.554 0.920 30 10 ICEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 1872707629 ZQEVKVFVGWAKQP-UHFFFAOYSA-N 438.418 0.946 30 10 ICEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)C1 2247578582 HWUSXHJHBCNQBG-UHFFFAOYSA-N 441.525 0.657 30 10 ICEE C#CCN(C1CSC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258159857 ZVTOZHKXOAJOFW-INIZCTEOSA-N 426.516 0.835 30 10 ICEE N#CCC(=O)N1CCCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169843493 GILUCRWFZQOUMH-UHFFFAOYSA-N 427.417 0.946 30 10 ICEE CCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 409515882 VFEJDTUMRNTDMY-QGZVFWFLSA-N 437.570 0.322 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 427584902 DCMWXEGRIMBNTL-AWEZNQCLSA-N 431.456 0.876 30 10 ICEE CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 538183451 HMKPHNBJFSUPSQ-IAGOWNOFSA-N 449.533 0.210 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2cccc(C#N)c2)CC1 750432821 MJOYCRDGNNPVHY-UHFFFAOYSA-N 446.485 0.782 30 10 ICEE C#C[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 753258712 JLQGWAHUPMWUGA-HNNXBMFYSA-N 427.548 0.826 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771298496 WKTFORIECAVBGF-XOBRGWDASA-N 433.486 0.111 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 802552324 SALYAZSPASNTHR-KRWDZBQOSA-N 448.549 0.922 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 917926047 TUGSNBLRFCIIEW-CYBMUJFWSA-N 438.449 0.790 30 10 ICEE CC(C)(C)N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](CCCNC(N)=O)(C(=O)O)[C@@H]2C1=O 1088615963 DFPBEADOBMDSKT-WMUXEFRJSA-N 441.488 0.874 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1286392465 MGWRIOKTTVJRCG-INIZCTEOSA-N 448.574 0.563 30 10 ICEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1293136538 GOOLBALFBNXPCL-CQSZACIVSA-N 432.282 0.549 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1299027309 WGTHZKWYHBCIEG-ORAYPTAESA-N 432.506 0.656 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300734079 QDPJZIPTJMSBJJ-INIZCTEOSA-N 443.533 0.633 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCCO 1301297377 PNILCDLYALHJSB-IRXDYDNUSA-N 442.586 0.080 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301497179 QVQMMEOHAGRGLR-HNNXBMFYSA-N 443.508 0.613 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(CCC)C(=O)C1 1301588804 JOXUXHHOQSIRQH-INIZCTEOSA-N 425.555 0.832 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(C)C 1303403878 JZLKTIQRUFMXER-INIZCTEOSA-N 425.541 0.960 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1359332837 ICYNHOGLHBXJTH-MRXNPFEDSA-N 446.595 0.644 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1508095880 YMEBWZGSAOOLCR-KRWDZBQOSA-N 446.552 0.725 30 10 ICEE C=CCn1cc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)nn1 1536918733 SWECFLJVYFFUES-FZKQIMNGSA-N 425.511 0.362 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC 1540171062 VEHXPOVIESONTL-OAHLLOKOSA-N 440.570 0.562 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1554461047 DVBGIKXOKNFOFJ-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE N#C[C@@]12CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1585132183 LMDCORIHZVWHQS-LPHOPBHVSA-N 437.543 0.484 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587803868 OUFQBGDLMKTAJE-GOSISDBHSA-N 429.569 0.963 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1587988917 DRTVBBRFSBUURI-QGZVFWFLSA-N 429.506 0.376 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 1588199735 XPAOMKFYPMZOSH-UHFFFAOYSA-N 426.296 0.551 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CC)CC1 1588742379 REEJJIPTSAXYRN-ROUUACIJSA-N 437.614 0.518 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCOC)CC1 1588864954 NCNDESMXMDSPPW-OAQYLSRUSA-N 446.577 0.812 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1595555794 HJBRONIOMLSJNH-OAHLLOKOSA-N 432.529 0.945 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1620616237 UVAGUJALJLIADC-QGZVFWFLSA-N 434.537 0.106 30 10 ICEE CN1CCn2c(CCNC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)nnc2C1=O 1643925629 YFAJYGAJEWIIBZ-UHFFFAOYSA-N 430.490 0.414 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1645144149 XWVQGDBAFBKKOD-UKRRQHHQSA-N 425.532 0.841 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689936794 DQNDEFZGVHCGEW-ICSRJNTNSA-N 441.580 0.803 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 1690699709 IJUDBXBAPZGVRH-IXDOHACOSA-N 441.554 0.571 30 10 ICEE CS(=O)(=O)CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698309614 RHSXNLACNRJKKV-IAGOWNOFSA-N 438.554 0.367 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705516923 LHZXFCZADYFGTG-HNAYVOBHSA-N 438.554 0.116 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC(=O)N2)CC1 1705652958 TYZNOCXFAJVBKG-SCTDSRPQSA-N 444.536 0.247 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705907226 DVYPBFATTXQVIY-QYWGDWMGSA-N 432.525 0.475 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCO[C@H]2C)n1 1722430076 WHOZJOLXYAUKTN-SVMVAKDDSA-N 444.536 0.805 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722694732 GGCQHVSYUDFFQA-HNNXBMFYSA-N 442.476 0.905 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704682 WNHYSIRQXTUZJR-HYFFOGBASA-N 446.552 0.583 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723624039 RDNSCAAUESFJTE-BVFVFODLSA-N 433.538 0.884 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@]2(O)CCSC2)cc1 1731182134 HPJJBGQTNJIDSM-FOIQADDNSA-N 428.518 0.908 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748820509 CURYMULWODAYDC-SQNIBIBYSA-N 449.577 0.700 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1749015608 YSSFLIFIFXGPPZ-QGZVFWFLSA-N 430.553 0.910 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1749457456 KLKITFXSBUNORN-QGZVFWFLSA-N 425.555 0.832 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1749670943 XRZICHJVJWHGNL-KRWDZBQOSA-N 434.541 0.453 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760512152 JAXOGMJULBSLGR-IEBWSBKVSA-N 429.569 0.965 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(F)c(F)c3F)C(=O)C2)C1 1856850901 TWJWXAPAHIGRNP-LLVKDONJSA-N 430.408 0.316 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562509 HEGJMOFGWWCVAD-UHFFFAOYSA-N 446.552 0.467 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256055736 CSQMNEWLZLGVRV-OLZOCXBDSA-N 434.302 0.486 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 522043237 FDUYPUVLHRDDEG-KRWDZBQOSA-N 434.518 0.467 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)n1 546910697 HZWCQRUKOSVOGG-UHFFFAOYSA-N 443.467 0.846 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(F)c1 586861152 XYQRHKVQTBJXNE-UHFFFAOYSA-N 429.496 0.860 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 611222407 HQHLPIWSKWERMV-NSHDSACASA-N 438.431 0.752 30 10 ICEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 737199557 VWIFZUNNAJHJPD-GOSISDBHSA-N 425.489 0.605 30 10 ICEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 739089659 SFTCSMALFWVSSI-HNNXBMFYSA-N 449.533 0.473 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 790106077 PPGNMOCDNUUKQG-HXUWFJFHSA-N 431.537 0.205 30 10 ICEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 858004479 ASLMGQBMNUQWBD-AUECHBEKSA-N 440.456 0.984 30 10 ICEE C[C@@H]1[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1132008255 GPRVKVVDCBRGCS-CXAGYDPISA-N 425.532 0.651 30 10 ICEE COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 1191545826 CXBLXCZLHULRKS-CYBMUJFWSA-N 430.280 0.763 30 10 ICEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1214205161 AKTJHOKZWDMDGB-INIZCTEOSA-N 443.547 0.656 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1286392467 MGWRIOKTTVJRCG-MRXNPFEDSA-N 448.574 0.563 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1286606222 JTJARNJOMVWDHM-UHFFFAOYSA-N 446.508 0.894 30 10 ICEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286676108 HNZJELGFTKPVAC-OPAMFIHVSA-N 446.552 0.680 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1300478803 BXGAFFMPQMGCFX-HNNXBMFYSA-N 432.506 0.486 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1300537370 FYIGVHDQHPJFSU-CTWPCTMYSA-N 449.577 0.889 30 10 ICEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301036645 DXMDEERHIHQVJA-GUTXKFCHSA-N 429.522 0.049 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359132295 STGIFTQXDVTSAR-GJZGRUSLSA-N 426.543 0.340 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)s1 1446144081 WIPFNGOCUYWDDN-TZMCWYRMSA-N 435.593 0.589 30 10 ICEE C#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(=O)OC 1463853290 GGBTZFVBJNMVTP-JTQLQIEISA-N 426.419 0.503 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)cn1 1468862327 GYSBRPSVTKFEFW-SFHVURJKSA-N 436.538 0.273 30 10 ICEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1471024722 YEFMYNUKKRAQGX-FQEVSTJZSA-N 437.518 0.932 30 10 ICEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1503287221 UBUGBSDPSXSSFR-QAPCUYQASA-N 448.549 0.875 30 10 ICEE COC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504674531 ZHZHYDOQLHIKBP-QFPXGYFVSA-N 445.524 0.806 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CCO1 1505321457 QUTMJINUTWEKCN-INIZCTEOSA-N 427.421 0.441 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)CC1 1507720385 ULJCCDKNSUHXAB-JRPXNJEYSA-N 435.594 0.985 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1508144580 VCMZXCQBLXBRLM-INIZCTEOSA-N 435.554 0.442 30 10 ICEE CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1515475626 DVTGTSKCMXWDIH-HOTGVXAUSA-N 438.554 0.558 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1517624148 AWQSVXSDESENRW-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540869222 FTSOHNRDJYGVDG-IAGOWNOFSA-N 431.541 0.080 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCO1 1541073587 BFPUHOKBMYVSJM-LJQANCHMSA-N 440.504 0.700 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541936119 XQZDPSZUGMNHEN-BASYENTBSA-N 426.543 0.558 30 10 ICEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(C)(=O)=O 1548372674 TUTHWHDVZCNNRB-HNNXBMFYSA-N 434.440 0.790 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1609506749 HRSSENJGSODKGJ-QGZVFWFLSA-N 440.508 0.425 30 10 ICEE C=CCC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OCC 1624304380 VFAJNIFIEHNBKZ-OIISXLGYSA-N 428.482 0.964 30 10 ICEE COC1(OC)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1O 1638765364 VDBXOLOKLWNAMH-QGZVFWFLSA-N 439.534 0.868 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1683347184 UULQUXVMKHRNGW-OAHLLOKOSA-N 444.517 0.667 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689978489 WLLQBGSFOVTYAI-IRXDYDNUSA-N 435.550 0.566 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)CC1 1690137298 TWRFRSFIQOGUJW-CQSZACIVSA-N 449.537 0.199 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1690300616 GULRPSUQIXWLHH-CABCVRRESA-N 428.559 0.443 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1698172839 YCODELWRMBQLQP-PMPSAXMXSA-N 427.527 0.698 30 10 ICEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1698435010 UHDACXKGISWKNU-XJKSGUPXSA-N 432.547 0.806 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705565596 HXRATRKHHSMZSY-ZWKOTPCHSA-N 431.566 0.790 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1710897741 HKBVIEHQZYFAIF-SJORKVTESA-N 443.533 0.471 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1722690529 KGPLIMAVDRKHFA-HIFRSBDPSA-N 436.542 0.266 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722736935 NMBYWCZRGKQHGA-AWEZNQCLSA-N 430.600 0.806 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722901962 YTDTXEXZURHNMV-PQORCFSTSA-N 427.509 0.961 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740590558 IBAUSFJOZIDGCA-HNNXBMFYSA-N 443.595 0.502 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1740692212 GGRBSVIJHOBXFG-QFIPXVFZSA-N 430.553 0.731 30 10 ICEE C[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743116008 NBJJABJJLWCUKX-QJGXAYKQSA-N 434.522 0.695 30 10 ICEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1748989591 NSPHFMHIGQLMSD-UHFFFAOYSA-N 437.548 0.495 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1749038265 JISCDORRAVZEAD-MRXNPFEDSA-N 440.591 0.932 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1760505413 SWIJXVHTQDIDEL-IRXDYDNUSA-N 443.570 0.676 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1760566087 KVFQWZMSTBTKCL-OAHLLOKOSA-N 431.584 0.757 30 10 ICEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCCN2CCN(C)CC2)c(C)c1 1853589458 UMWQBLVDWVATGR-UHFFFAOYSA-N 435.554 0.451 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)[C@@H](C)C2=O)CC1=O 1857095201 KNJOTRQHDBNRHO-STQMWFEESA-N 441.456 0.747 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CC1 444976975 XZOCAHWRXMGVMI-UHFFFAOYSA-N 428.537 0.807 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CCC 447279833 UCDKQWGSJIWLCW-UHFFFAOYSA-N 436.335 0.621 30 10 ICEE CS(=O)(=O)CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 473461308 HLKHHQHJFQEAIM-UHFFFAOYSA-N 425.532 0.606 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 514645218 HIAKOQRWTZIKGV-CQSZACIVSA-N 431.539 0.512 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543659625 VVJYIHNICPWBIX-CQSZACIVSA-N 442.497 0.967 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)s1 609417525 MLWIYNRRXAFCFT-UHFFFAOYSA-N 432.571 0.115 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cn1 734599383 IRJDFBNDEPNBAM-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OCC2CC2)c1=O 758069153 RWMXKUHESQSNAR-UHFFFAOYSA-N 437.521 0.597 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)c1 1138759583 QOAKRYSYPCVEAY-UHFFFAOYSA-N 443.453 0.835 30 10 ICEE C=CCn1c(SCC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)nnc1-c1ccc(Cl)cc1 1149178510 DXVFMACQLPXDAR-ZIAGYGMSSA-N 448.936 0.922 30 10 ICEE Cn1c(=O)[nH]c(N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c(C#N)c1=O 1184926643 HSBHBXXVTBSXGW-JTQLQIEISA-N 433.266 0.958 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC#C)CC1 1286322049 CFSVGGVZCITQEZ-SFHVURJKSA-N 434.566 0.170 30 10 ICEE CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1294054681 LRUHITVUXPGMIP-UHHPSXQGSA-N 445.524 0.948 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1298696807 WTMHIOOZFAUDJJ-FQEVSTJZSA-N 449.533 0.751 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300487218 IFBIBORZEOEBHC-INIZCTEOSA-N 430.534 0.882 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300498516 KXGDXWRHOYWWGC-NQIIRXRSSA-N 445.545 0.696 30 10 ICEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)COC 1307924465 QNIPHSXMZKDONM-MRXNPFEDSA-N 440.522 0.951 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCC2)C1 1316354353 GRISVBUYCFXRCL-RHSMWYFYSA-N 442.517 0.358 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1358985336 WLCAOJXYGRAUIN-OAHLLOKOSA-N 443.595 0.565 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCOCC3)CS(=O)(=O)[C@H]2C1 1444212560 ZXPKFVPUITYRNE-KFWWJZLASA-N 427.523 0.846 30 10 ICEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)nn1 1461048559 PQADZPPCBJJMRB-UHFFFAOYSA-N 432.506 0.247 30 10 ICEE CCOc1ccc(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1475508687 CFHSAALYXWDWEP-UHFFFAOYSA-N 443.279 0.960 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507631805 GHUHSINWHKJSPR-GJZGRUSLSA-N 444.579 0.232 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507655301 FVKQKVQPWDKFMJ-NRFANRHFSA-N 444.513 0.488 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508130646 IPTWTCBJRNCRJP-CABCVRRESA-N 438.554 0.265 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1513918640 SUSHOQNKGHUQQN-HNNXBMFYSA-N 440.512 0.069 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(F)(F)F)C1 1519560929 AFFRVIOKBZSWKL-GXFFZTMASA-N 426.396 0.615 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1528412359 OGDCBWPHGRLVNG-GOSISDBHSA-N 435.484 0.646 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCC2)CC1 1539469986 WPBVNVAUYDANEH-JOCHJYFZSA-N 431.537 0.811 30 10 ICEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1585797326 KGNICJRMIANEME-GOSISDBHSA-N 441.557 0.658 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1588044720 BHEZBYJAJZBECA-KRWDZBQOSA-N 434.566 0.489 30 10 ICEE CCOCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1617083319 MKPWLQUZTIEPCV-YJBOKZPZSA-N 444.533 0.870 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 1622018753 CYXFVYLMLNDFAS-NVXWUHKLSA-N 425.532 0.798 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1634876426 OXIAOTDSWUWGJA-MRXNPFEDSA-N 434.290 0.424 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1642340558 GJLBZMPNQXASAS-KFKAGJAMSA-N 432.546 0.985 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1690660935 RCHZDJMWTJNKQN-DYVFJYSZSA-N 428.584 0.524 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705516046 SSMVIQDCSYVIOC-QZTJIDSGSA-N 427.553 0.776 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559119 RPBIFKINLXOTFM-JKSUJKDBSA-N 425.555 0.714 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1705583508 ZRRZUEXYKLWCQH-ZWKOTPCHSA-N 435.550 0.643 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1707955129 GGGNOJIQGQXZBJ-YJBOKZPZSA-N 426.477 0.811 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1712318334 HFPHGQGCGWDQGW-DYESRHJHSA-N 425.493 0.818 30 10 ICEE COCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712364002 QFASUKPZUZPUOC-GDBMZVCRSA-N 425.559 0.491 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722351911 LWLAUTWZWSNKQW-WMZOPIPTSA-N 444.561 0.918 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2n1 1722353242 UNCWTZAUADBNCJ-QGZVFWFLSA-N 443.533 0.571 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1722396204 GQAGLGFMHNYSQJ-QRVBRYPASA-N 449.577 0.889 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722431935 QODSACXFKIFSGZ-RCCFBDPRSA-N 436.582 0.625 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722703057 UPCNQKIJEYJCHC-FCEWJHQRSA-N 432.525 0.505 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740615525 GMPZKHUMTSBFNA-UTKZUKDTSA-N 449.577 0.956 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1748965405 QTLMBDKHINPKCH-UHFFFAOYSA-N 425.537 0.514 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760188289 JHXBSZAPQURWFI-APWZRJJASA-N 434.522 0.111 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1760358073 RBDOLQFCKVIXBN-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1769286825 XYUIEOFJLSHMAC-CVEARBPZSA-N 428.472 0.807 30 10 ICEE C=CCN1C[C@H](C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCOCC4)ccc32)CC1=O 1856004871 LIAIXABTTHBJBE-OAHLLOKOSA-N 433.486 0.158 30 10 ICEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633737 XNNNDTCSEPKVBO-UHFFFAOYSA-N 436.520 0.837 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)CC1 1889433694 KQEGLCJLOCMOQU-UHFFFAOYSA-N 433.574 0.962 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255693918 KQIVMPUEVNCBRO-NEPJUHHUSA-N 437.306 0.136 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255695359 ZWYNHXQRQADVNG-RYUDHWBXSA-N 433.318 0.709 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2267270521 MJHHDXVSRUDBIS-LLVKDONJSA-N 445.251 0.645 30 10 ICEE C=CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCNCC1 2270512175 SJADJKWGYBSLHO-MRXNPFEDSA-N 425.507 0.984 30 10 ICEE C=C(C(=O)OC)[C@H]1[C@H](O)[C@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1OC(=O)/C(C)=C\COC(C)=O 252463723 WTHXAFPDZHTOOX-JESSDXSWSA-N 438.473 0.864 30 10 ICEE biogenic C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCOC)C1 508827590 MQVLFCUDCGPDOT-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE Nc1nc(CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)nc2ccccc12 735879194 AQZCBWIVWUNXHL-LSDHQDQOSA-N 435.488 0.773 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1CCOC 764981955 WXAVFDHBGKOTSU-UHFFFAOYSA-N 443.525 0.761 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 795965995 DQAVTHSBLJUYDM-UHFFFAOYSA-N 430.442 0.770 30 10 ICEE CS(=O)(=O)N[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1136751798 VROHXOUBYXBBMU-AWEZNQCLSA-N 427.324 0.907 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1286389354 IMSQNOPDEPMDRS-HUUCEWRRSA-N 448.505 0.039 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1286790084 BQXKAAGOSUHINL-UHFFFAOYSA-N 437.548 0.854 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286809779 LDAJJLDKSHTJJI-ARFHVFGLSA-N 437.566 0.876 30 10 ICEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1301002961 BNQAQFDCUKSZDW-IRXDYDNUSA-N 443.570 0.676 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1301589312 QJVNANITRDGWRL-HNNXBMFYSA-N 444.579 0.540 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1359000045 KRIMNZXAJYGFKV-IRXDYDNUSA-N 426.587 0.849 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOCCN(C)C)CC1 1359044146 WVYVCSFWTBQYHO-UHFFFAOYSA-N 425.537 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1359045518 KPADASJUVQIYGY-UHFFFAOYSA-N 438.598 0.772 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359049841 WWBJIDZDGDOIEG-SOUVJXGZSA-N 440.595 0.502 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1359133166 MPFCOQIIVTYYGG-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C#CC[C@H](CCOC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1454357867 KSIJJGLENXBRDA-GOSISDBHSA-N 435.546 0.844 30 10 ICEE CS(=O)(=O)CCOCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1465232726 LZGOQAUEEFTRQG-UHFFFAOYSA-N 430.324 0.934 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1508141508 NEULOFQDVRGREV-LSDHHAIUSA-N 427.527 0.072 30 10 ICEE CCOCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1516688324 VLOZOVFAIGKASY-JKSUJKDBSA-N 442.542 0.156 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)NCC(=O)N(C)Cc3ccccc3)cc2C1=O 1534472426 MFOHLLMZEMQPNL-UHFFFAOYSA-N 448.479 0.973 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876474 SKPCTEPZIJONHW-HXUWFJFHSA-N 435.529 0.082 30 10 ICEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1548270850 SZAPOCYMGNIMAB-CABCVRRESA-N 425.497 0.642 30 10 ICEE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1552716212 DSVBJRAGVXFQQS-UHFFFAOYSA-N 434.508 0.750 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 1558251650 QQRYROXIFLDMCL-QYZOEREBSA-N 447.557 0.870 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1587856567 NGLDYXMPRVAREH-OALUTQOASA-N 434.610 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1595759085 CZPDAKCSLFLKSU-LBPRGKRZSA-N 441.526 0.725 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1O 1618884508 DPEXVTBROZLPNH-DRSNIGMVSA-N 438.488 0.655 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1632965863 FKVNYHHYKXPODG-BEFAXECRSA-N 444.554 0.061 30 10 ICEE C=CCOC[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1634058481 FEPNDFCEYVZYDU-HUUCEWRRSA-N 427.498 0.753 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 1658321339 UDCDZVVMLRRVQZ-OAHLLOKOSA-N 446.551 0.275 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 1667956673 PXYULHOPJGDLSH-UHFFFAOYSA-N 431.540 0.105 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)CC1 1684237365 WPEZBKBMMABQEG-UHFFFAOYSA-N 428.518 0.542 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1689988436 OZUYYDKLXVSRNA-NVXWUHKLSA-N 435.550 0.277 30 10 ICEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690023941 NGHGHIYQVJSCNC-JOCHJYFZSA-N 442.541 0.694 30 10 ICEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1696426138 KGNZUKQRDGQFII-UHFFFAOYSA-N 437.504 0.780 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1705551279 KPQRYIVEVGPJHK-GOSISDBHSA-N 433.534 0.897 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cnc2ccccc21 1706889480 FZTIMXNYNZNZIC-GJZGRUSLSA-N 444.521 0.667 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCOCC1 1709141737 CKCAQMQGLAEBLA-KRWDZBQOSA-N 425.541 0.940 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CC1 1722438996 KEEXPEXYRUDKPD-UHFFFAOYSA-N 444.486 0.761 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722452207 RYOPGFKTENXMES-SUMWQHHRSA-N 442.567 0.286 30 10 ICEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722464839 SYYIWXGXSWVJEH-MRXNPFEDSA-N 434.566 0.669 30 10 ICEE C[C@@H]1N(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1726762991 VFFJFKQNRVYRNI-NFPAXOPASA-N 443.508 0.759 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740715993 RGBDWJSUYBZPJU-UHFFFAOYSA-N 437.595 0.953 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740991846 GNEOWPMFUZDJGF-ARFHVFGLSA-N 442.538 0.133 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1740993851 FAZRMYHPSWJOBK-UHFFFAOYSA-N 435.554 0.680 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741173188 IXZXSLYNOYKBFZ-JFVSRZABSA-N 429.481 0.743 30 10 ICEE CC[S@@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747461616 WJDVTPWGZXHRRX-SSEXGKCCSA-N 426.506 0.982 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1748819208 MDGOLEASFKSKCL-IAGOWNOFSA-N 428.518 0.169 30 10 ICEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749220338 FVERYLSJENNIOZ-MRXNPFEDSA-N 440.504 0.693 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1749488972 PRXHFBLYDNVKMT-KRWDZBQOSA-N 440.570 0.492 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749753848 ACGKEJRUCQFEHD-OAHLLOKOSA-N 442.611 0.914 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1749874396 RMVDHZBOUMLKND-JOCHJYFZSA-N 437.504 0.590 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1752269875 BBQPEVQCEAFNLR-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1760135451 WIIBRCHXHIKYMB-GOSISDBHSA-N 449.515 0.947 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1760184813 ZDDWXZCKBCCMPQ-MRXNPFEDSA-N 431.518 0.797 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1760209206 ZDUQLNFSCXGLCD-UHFFFAOYSA-N 441.517 0.424 30 10 ICEE CNC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769351371 SMDKWIZDXVFHAW-ZPHPHTNESA-N 442.524 0.924 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCC(S(C)(=O)=O)CC3)C2=O)CC1=O 1857262377 KYIJYMIEGGWZFZ-DOTOQJQBSA-N 425.551 0.438 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875109 DLFFHPNSKROVRW-UONOGXRCSA-N 448.329 0.876 30 10 ICEE COc1ccc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(OC)c1OC 28743103 HEDNKTUXWMMSSO-UHFFFAOYSA-N 429.477 0.304 30 10 ICEE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CCO)CC2)SC1=S 33387069 ASBIDNUILMLFNU-WJDWOHSUSA-N 447.586 0.901 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 72443847 BMTCKKDNUFXCQK-KBPBESRZSA-N 437.416 0.604 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 474679583 FEYWQWDIWQGZNU-NJNPRVFISA-N 426.473 0.880 30 10 ICEE CC(C)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 477388260 XWYZDIQQSQKWKE-UHFFFAOYSA-N 447.561 0.191 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cn1 735069347 TVUOLRHLZFNBKF-UHFFFAOYSA-N 443.573 0.577 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 918610727 RATLNZJGYWEXRJ-GWXXAVGLSA-N 445.501 0.549 30 10 ICEE COc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1C#N 1125092822 ZYXMLDUUNOXUER-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc(N3CCOCC3)n2)c1 1125488731 BPWMCVVLVSNATA-UHFFFAOYSA-N 435.484 0.800 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 1134262532 GFTYGCKTWFALHY-UHFFFAOYSA-N 435.546 0.886 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134275287 IYEFNZHHMOPOQE-YJBOKZPZSA-N 425.532 0.726 30 10 ICEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1195028074 ARLHGGCVTLNZKS-AWEZNQCLSA-N 427.910 0.633 30 10 ICEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)C1CCCC1 1230511208 PRVJSJHRBYDPRJ-QGZVFWFLSA-N 428.555 0.989 30 10 ICEE CN1CCN(C(=O)c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1252143184 CIOJBCNEYQYOIW-QZQOTICOSA-N 425.489 0.607 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286397848 DAEPRDZEOXAAAF-GPMSIDNRSA-N 426.539 0.544 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286491478 SZFCOEGRIIDWDN-UZUQRXQVSA-N 438.532 0.770 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1286790910 QKBUOQUCMNNIAN-UHFFFAOYSA-N 438.540 0.502 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300479817 SNOZSMRBBIHILK-INIZCTEOSA-N 432.506 0.486 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1300537905 LKYBMOQAMAWFNS-KSZLIROESA-N 435.550 0.499 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 1304265018 RRSDVSVUICASEE-NSHDSACASA-N 427.324 0.894 30 10 ICEE C[C@@H]1CSCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1305236558 HZEXZGXTZOTHTR-YHCMSDNUSA-N 431.522 0.697 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(CO)nn1 1314728722 DJPZALIVJJIKSA-SFHVURJKSA-N 435.492 0.911 30 10 ICEE CS(=O)(=O)CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316341125 GYYYXEWYGYJRRV-CXAGYDPISA-N 445.542 0.447 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1358885253 GFKUVEYDROKQDA-CQSZACIVSA-N 443.533 0.682 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1358949105 SNZDMRCXOBSVEV-QGZVFWFLSA-N 435.554 0.666 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1358955310 JOEZXNSBUXKXHM-IAGOWNOFSA-N 433.534 0.486 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1359010079 GDAQNGQZEOVYKC-WQIZZMQYSA-N 445.611 0.618 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1359326510 BUMUTKXWGGWNSU-HNNXBMFYSA-N 439.538 0.504 30 10 ICEE Cc1ccc(C[C@H](CO)CNC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Br 1468137441 AQXPQQPMNGXVFB-ZDUSSCGKSA-N 435.278 0.859 30 10 ICEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1469815227 QNIRCCIWZUTLHG-OAHLLOKOSA-N 426.491 0.748 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 1471451326 RGIPIPYABATWMD-MRXNPFEDSA-N 428.555 0.778 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 1507799831 LBTLFAYJIQBSOL-INMHGKMJSA-N 438.554 0.292 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508059464 VCGYBHRSAVLZIE-LSDHHAIUSA-N 433.538 0.764 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1508095818 VZLFRQSWNBYWRD-UHFFFAOYSA-N 441.492 0.258 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cc[nH]n1 1538983787 XPQPDTHIBIQFPW-CQSZACIVSA-N 441.517 0.960 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1539200494 IWTQYOPUJCCDFZ-SJORKVTESA-N 437.566 0.956 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539225401 NMTLXRINPRJQBI-RXVVDRJESA-N 445.545 0.696 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540865453 HINWFTUJCRANJO-IBGZPJMESA-N 449.515 0.947 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540902909 UERRZGZQVHAXAA-GJZGRUSLSA-N 425.511 0.414 30 10 ICEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1Br 1545534510 JTGLLALUTNUDOX-UHFFFAOYSA-N 443.323 0.897 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1588029713 KXCSPLUFVKXVLK-HUUCEWRRSA-N 445.611 0.951 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1588039747 DRKZPVHAWDBNSY-IBGZPJMESA-N 443.529 0.842 30 10 ICEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1617696203 IIKOQIGLEPPMOR-WUKNDPDISA-N 434.465 0.421 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 1644282234 YVALXKOBPKZSST-UHFFFAOYSA-N 433.490 0.290 30 10 ICEE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1660309984 OCKJMBZJWHGNCZ-DSKINZAPSA-N 434.562 0.048 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)CC1 1680300905 QSXZAFIZJYBORF-GOSISDBHSA-N 434.497 0.443 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1689852180 BODNYIFLNOWWPB-ZACQAIPSSA-N 426.587 0.799 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1689853102 PEDHJUSRSKMFGW-SOUVJXGZSA-N 429.568 0.062 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690015226 FEQAUJOKOBMKNZ-GOSISDBHSA-N 441.513 0.785 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N(C)C)CC1 1705652498 BNVHKGZILJJXPY-HKUYNNGSSA-N 446.552 0.446 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1705667649 YYTQAOKPAYXGMP-IAQYHMDHSA-N 436.460 0.559 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)CN(C)C2=O)c1 1722310123 SVMCYDUYWDNWPS-GAJHUEQPSA-N 449.515 0.764 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1722365241 CTAVDYUCBAGMAW-HNNXBMFYSA-N 449.533 0.795 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722436991 IBAZQICZHGJKIJ-IRXDYDNUSA-N 442.486 0.800 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722444381 IWRAENMNHLBWQB-MRXNPFEDSA-N 428.459 0.815 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1722536314 DEUQBSYKJOUDBZ-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1731186807 GVYLXEANTFNMQM-WIYYLYMNSA-N 445.545 0.732 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1740688358 FKFKXEZAUGEDPN-UHFFFAOYSA-N 436.520 0.808 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740709517 OGSBQUVNLJDJDJ-UONOGXRCSA-N 428.584 0.312 30 10 ICEE CC(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741035245 ZMNFTEIACSSUNH-ZZEZOPTASA-N 438.492 0.858 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821164 MTTCUHAKWJDABB-SJORKVTESA-N 437.566 0.698 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1748929181 GAGMCISUFTTYQC-IRXDYDNUSA-N 447.565 0.845 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(=O)NC 1749027423 YMONTPYMVNQPJT-UHFFFAOYSA-N 425.522 0.860 30 10 ICEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1751046156 NLGZZXIPUQODKY-GOSISDBHSA-N 437.504 0.779 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159721 NOJALODPIWZXTQ-JOCHJYFZSA-N 432.569 0.990 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1760529208 ZLTNCQFOLCGZQS-UWJYYQICSA-N 434.541 0.585 30 10 ICEE COCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1769372411 CPSDBAAGVQEJHS-BDJLRTHQSA-N 443.530 0.981 30 10 ICEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870581776 BLQVWNRTQOOIKR-UHFFFAOYSA-N 433.505 0.611 30 10 ICEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873595020 LZECQLCHAODEFU-UHFFFAOYSA-N 449.519 0.600 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)CC1 443689088 BCDICJWPJVRMPW-GOSISDBHSA-N 437.518 0.162 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 547773328 SSFSJRHQJFWBQF-UHFFFAOYSA-N 441.513 0.545 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 760849538 XYNSGFFEXFIVHL-JKSUJKDBSA-N 441.550 0.541 30 10 ICEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 764262783 YPHIEFAXEPTHFY-YOEHRIQHSA-N 433.534 0.901 30 10 ICEE Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1 786400568 CIBRSWLUPWNCAT-UHFFFAOYSA-N 429.458 0.347 30 10 ICEE C#CCN(C(=O)Cn1nc(Br)c(Br)n1)[C@H]1CCS(=O)(=O)C1 1142046965 SDLXPEQJBJJAET-QMMMGPOBSA-N 440.117 0.452 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1222199248 HQWLUEKRPRSBMJ-ICSRJNTNSA-N 449.577 0.071 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)NC 1286278873 HYTBFNJVJIQWTN-CYBMUJFWSA-N 437.522 0.978 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286778479 BBNJKUOWTIVBJI-FRRDWIJNSA-N 434.513 0.918 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286787796 JPBMJRBUXCPOQM-QRQLOZEOSA-N 445.568 0.073 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286789083 AKYNKXGWJNMATB-INIZCTEOSA-N 443.533 0.442 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@](C)=O)CCC2)CC1 1300719838 RVHHAUXOTJLOTC-HKBQPEDESA-N 443.577 0.946 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1301589368 RGCVEIORRPONEI-INIZCTEOSA-N 441.554 0.068 30 10 ICEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCS(C)(=O)=O)C2 1303996892 OWADSOURWJQUHA-IBGZPJMESA-N 430.490 0.892 30 10 ICEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1316344695 UCKBGVUTLCZKGH-MRXNPFEDSA-N 432.506 0.927 30 10 ICEE Cn1[nH]c(Br)c2c(=NCC/N=C3/NS(=O)(=O)c4ccccc43)ncnc1-2 1338618525 KQIOZTZIEPVNQQ-UHFFFAOYSA-N 436.295 0.650 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1358913001 CVVCTHHYTJZXJD-KRWDZBQOSA-N 435.554 0.784 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358919867 MKXYNGFNSATKIQ-INIZCTEOSA-N 439.586 0.886 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1358960747 KVMVIGRBDJZZNO-YLJYHZDGSA-N 430.534 0.033 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1358967572 NIRYBPVEJPBNLW-UHFFFAOYSA-N 440.529 0.543 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 1449703660 PPLFOYLJGOPMPA-MRXNPFEDSA-N 428.308 0.423 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](Cn2ccnn2)C1 1470305362 YSOAHRCBKOFDAF-WBVHZDCISA-N 446.533 0.659 30 10 ICEE CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CCS(C)(=O)=O 1471668586 RJUGIKCCCBKVEO-CQSZACIVSA-N 426.926 0.657 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1507710904 MFPUZVGUADFJAP-HNNXBMFYSA-N 435.506 0.176 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCC(=O)N2)n1 1507717223 RSJWTPKQFRJUPD-DLBZAZTESA-N 427.509 0.543 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCO2)n1 1507717588 WJYOBFIOPAVIBU-QZTJIDSGSA-N 427.509 0.891 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507731162 CBGOGHQSLIHEAT-ROUUACIJSA-N 436.582 0.209 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1=O 1517406976 PPZGIJCGKFEWQC-QFIPXVFZSA-N 437.504 0.590 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1519409797 OTRZLXKQPDYLAZ-QAETUUGQSA-N 440.570 0.879 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539203626 SWFQLCHOCSVERT-HNNXBMFYSA-N 425.555 0.858 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)c1 1558577817 BJPFDYZHZKUSNX-NRFANRHFSA-N 434.514 0.909 30 10 ICEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1561956813 CLHQKXVNENMQEX-FQEVSTJZSA-N 434.518 0.468 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C(=O)OCC)nc3ccccn23)CC1 1562967362 HBCGQHLXADJGDB-UHFFFAOYSA-N 434.478 0.128 30 10 ICEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1585295321 DWMICXMQLSEQEF-UHFFFAOYSA-N 435.387 0.196 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)C1=O 1586136327 RTRQEUUOOIBJEA-CQSZACIVSA-N 448.501 0.408 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1587856731 QMNNEJCDQUZMPT-QAPCUYQASA-N 426.564 0.609 30 10 ICEE COC(=O)[C@@H]1CN(C)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1638206361 CMSGJBUGFUFOAN-NVXWUHKLSA-N 427.461 0.326 30 10 ICEE C#CCN(c1nnc(C)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689980078 LIADINNHOQWOKH-CABCVRRESA-N 435.472 0.476 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)C1 1695953208 AKYCRWMWEQTPFU-ZWKOTPCHSA-N 448.549 0.996 30 10 ICEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705543691 OXBSXZVWOHTCJA-KRWDZBQOSA-N 433.472 0.289 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559118 RPBIFKINLXOTFM-HZPDHXFCSA-N 425.555 0.714 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705909141 OPRJHXRMHCGASH-XMSQKQJNSA-N 448.568 0.391 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1706864140 GMSDKZLUSZHAAI-CYBMUJFWSA-N 446.599 0.842 30 10 ICEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722370323 BLVIQMYAIROKIN-KRWDZBQOSA-N 445.545 0.662 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](F)COC)CC1 1722443567 LIHNDBUCXPGWLK-UWJYYQICSA-N 437.516 0.881 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722691939 CLFUENPMDVLAEB-QVKFZJNVSA-N 434.541 0.883 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCOCC1 1740960211 NHPXUQQAYVIIDD-UHFFFAOYSA-N 426.525 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1740994465 OKDSWWQRAFYCAN-OAHLLOKOSA-N 438.554 0.058 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1747194068 UTZYTHFBBHWWCS-UHFFFAOYSA-N 433.538 0.843 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749663850 SBEFBMOWQNAOQH-MRXNPFEDSA-N 440.552 0.375 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1760337838 WPEHSRNNJBNJKL-YJBOKZPZSA-N 445.611 0.881 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1766714642 JQRQSYQJCBSKBX-CALCHBBNSA-N 432.506 0.708 30 10 ICEE Cn1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255821443 CZXGHZFKQHBSMZ-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255832916 UFFMMHVGFCNSEL-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267113689 XPZGZOPXLMWMPC-WDEREUQCSA-N 445.251 0.643 30 10 ICEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546491 XNGQGPPEEFIYJI-GHMZBOCLSA-N 445.251 0.786 30 10 ICEE Cn1c(=O)c2c(nc(NN=Cc3ccncc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 2327749685 HHKLPFPOPZXZSC-MRXNPFEDSA-N 449.471 0.715 30 10 ICEE C=CC[C@H]1COC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344312123 JDYXTERSBJQQFM-BBWFWOEESA-N 426.491 0.965 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502054288 CRHINNXIUXDPDM-ZDUSSCGKSA-N 441.488 0.426 30 10 ICEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)C 503410276 MEFWBEHQIQVNSK-LJQANCHMSA-N 443.614 0.589 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 532709677 TYQBUAASZSAATF-UHFFFAOYSA-N 432.571 0.783 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc2c1OCCO2 590998720 LMHZGNZUIDLKCZ-UHFFFAOYSA-N 439.493 0.806 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CCN1CCOCC1 610957005 IWZBRUVWTACTGR-UHFFFAOYSA-N 438.509 0.237 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767872438 PMUUGTHVDDNMBV-ZDUSSCGKSA-N 434.543 0.201 30 10 ICEE COCCN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1233500204 NSAUOQIYNILQOQ-KBXCAEBGSA-N 430.527 0.450 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1286379917 DXKUGLZCTHULDT-INIZCTEOSA-N 425.555 0.858 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286392612 IUKMGDPTJWYTHW-GPMSIDNRSA-N 426.539 0.196 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CCO1 1299137477 HRAQZDATOIZDQF-GOSISDBHSA-N 427.509 0.346 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1300539079 XLDMCWSVKQHVIA-MRXNPFEDSA-N 448.574 0.805 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300831447 ZCUANCSYTWYVTI-IAQYHMDHSA-N 447.359 0.513 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1301425742 YCDKMLKJMWFKEW-GVDBMIGSSA-N 428.555 0.871 30 10 ICEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@H]1CCS(=O)(=O)C1 1310571860 RJSWHOUVMQJILX-HNNXBMFYSA-N 449.514 0.932 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358929933 KYUCCKPCWZENLK-ROUUACIJSA-N 448.593 0.336 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1359022767 MGVWZNUQLXGLIA-UHFFFAOYSA-N 438.579 0.738 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359294918 JBNLJOFGCJCZNR-UHFFFAOYSA-N 429.525 0.795 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(I)cc3N)C2)c(=O)nc1O 1457196175 CVONHBLQPMDRMM-UHFFFAOYSA-N 437.197 0.704 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)C[C@H]1CS(=O)(=O)C2 1462992263 ZXMYZXDMKZWHKE-KSSFIOAISA-N 441.506 0.621 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@H]1C(N)=O 1470238618 FVLDCOYEGMTTGM-SJORKVTESA-N 449.577 0.740 30 10 ICEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1504693279 GMFAYBPNKIMRKB-JXFKEZNVSA-N 431.518 0.839 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COc2ccccc2O1 1510216853 DIHNTRHSUVGULX-RRFJBIMHSA-N 448.505 0.457 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1519150768 GFMATIKPCINYGM-QGZVFWFLSA-N 446.533 0.798 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539230446 HTMOMEMZOOUKCE-KRWDZBQOSA-N 439.582 0.552 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nnnc3-c3ccccc3)CC2)cc1 1540647670 FMIZEEIISFPTKV-UHFFFAOYSA-N 437.485 0.745 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCN(C(C)=O)CC1 1555729453 UMJKVZOCLQOODZ-WDSOQIARSA-N 433.557 0.905 30 10 ICEE O=C1CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1556030324 CXPOPZPQPILEAC-FMQUCBEESA-N 439.451 0.471 30 10 ICEE C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1556292964 HHRWVRSKVDUNSU-AWEZNQCLSA-N 445.501 0.970 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588006012 ADDUCJZXIUORJX-DLBZAZTESA-N 434.566 0.674 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1588884474 BMFFYJYYCJMRBM-QZTJIDSGSA-N 446.552 0.434 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C2CC2)CC1 1588961597 FNILKWUQXLFFDL-QGZVFWFLSA-N 441.580 0.849 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1607586532 VWDUITINMGIMJM-GPZUPERFSA-N 435.424 0.871 30 10 ICEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NC(=S)Nc3ccc(OC)cc3)CN12 1613879951 DCPGYYIWRJOTLK-JFIYKMOQSA-N 429.546 0.453 30 10 ICEE C=CCNC(=O)N[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)N(C(=O)CSC)C1 1616126663 QQXWEQAEWFLMJY-BRWVUGGUSA-N 447.561 0.017 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3c4ccc(Br)cc4C[C@H]32)CC1 1644285135 JBKMRCWCNYXXOW-IXDOHACOSA-N 438.347 0.947 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1689966383 QGJZZFPPBSHRDU-MAUKXSAKSA-N 433.534 0.782 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1689996721 NCQRJYJKHFZJSB-KRWDZBQOSA-N 449.577 0.986 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1705550980 CXSRAEHCGVPQMD-CQSZACIVSA-N 442.542 0.205 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC 1705590971 BEEBASIHCFTOBI-UHFFFAOYSA-N 449.558 0.361 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1705806019 UWTZYJCPUPVSBH-HOTGVXAUSA-N 440.570 0.669 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1nnc2n1CCCCC2 1706848782 HGYWJCPKRDVNPM-KGLIPLIRSA-N 435.558 0.993 30 10 ICEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1712885876 BFSHBSHIOKRILV-CVEARBPZSA-N 443.439 0.713 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC)c1 1722306596 TYMZWSIJCZVMKK-UHFFFAOYSA-N 437.504 0.706 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1722699799 YQLNRABPPCIGSB-IRXDYDNUSA-N 437.566 0.735 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749039435 UFSMFSVBHQQFKA-LSDHHAIUSA-N 446.620 0.560 30 10 ICEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1749391928 VLGDLTZXRYPCRA-OAHLLOKOSA-N 448.615 0.716 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1760160793 OQHVTUIHELLGJM-UHFFFAOYSA-N 436.563 0.932 30 10 ICEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760165445 SOOMKZNYQZLENZ-APWZRJJASA-N 425.555 0.812 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1760184827 ZIEYVIXPPSPJPE-INIZCTEOSA-N 446.533 0.979 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnn(C)n2)CC1 1760269723 CKHLFZRYMQNYMT-UHFFFAOYSA-N 437.483 0.546 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1760295179 OSCYOEJMNCPJJA-HNAYVOBHSA-N 435.550 0.454 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760346321 SGSMHMJDAWQRJJ-INIZCTEOSA-N 438.554 0.331 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=CCC1 1770832828 JLSCYJDFAICQBR-OHTQGHCMSA-N 432.506 0.473 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCNC(=O)OC(C)(C)C 2243439583 TWSKKAZSSGHXDO-UHFFFAOYSA-N 430.336 0.522 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2315536756 LDADWQOFZBNSDY-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE N#Cc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)on2)c1 468253472 PZGXIXLZTACFBV-UHFFFAOYSA-N 431.474 0.548 30 10 ICEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 483525878 CATCPQXCKNGRCC-MRXNPFEDSA-N 449.533 0.381 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 501494500 KEKYNQGYPRAQQV-IBGZPJMESA-N 433.597 0.403 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 501494577 LARICNAIBZIKHP-UHFFFAOYSA-N 427.549 0.345 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 513185898 YZINEOSBCXQPAR-GOSISDBHSA-N 426.583 0.417 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@H]1CCCO1 522647999 QBWKILFIKNKLQU-MRXNPFEDSA-N 445.516 0.802 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 607418824 CBKCMSXADGDLEH-FPOVZHCZSA-N 429.565 0.905 30 10 ICEE C#CCN(C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 774046061 JDWFSYHOVFUIIK-HNNXBMFYSA-N 442.515 0.921 30 10 ICEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1 782888460 XXTPTDYWRXCIQS-OAHLLOKOSA-N 430.538 0.718 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)NCCOC)CC3)n[nH]2)c1C 1135703010 PRMOPVDISBQMQV-UHFFFAOYSA-N 429.525 0.596 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 1149027368 XVDTWPGBSSUWOB-KRWDZBQOSA-N 426.560 0.675 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CC1 1152967423 HGMAYIHVDOKLRF-MRXNPFEDSA-N 428.461 0.144 30 10 ICEE N#Cc1cn(CCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(=O)nc1O 1227704345 PUBJWSQPKBFJNO-UHFFFAOYSA-N 428.415 0.925 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286786599 VDEUIGDFCMRJDO-HNNXBMFYSA-N 433.513 0.589 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCn2cncn2)c1 1300331409 KOZXPPWBXKTASF-UHFFFAOYSA-N 447.503 0.862 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 1300709911 KUVZDIVCASYVRM-UHFFFAOYSA-N 442.495 0.610 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301506897 SFRWICCVJUHYCL-UHFFFAOYSA-N 432.550 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)CC1 1301578331 XOVYFJRNHXMNRB-UHFFFAOYSA-N 447.517 0.943 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1307769020 ATULDDMOCYJLNU-QGZVFWFLSA-N 439.563 0.644 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1358949260 XBJYZTRIZIYYPV-MRXNPFEDSA-N 433.538 0.190 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358966575 ROTXIRQUVVLFKG-ROUUACIJSA-N 448.549 0.182 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359126248 KCNRZIDMJQNMIG-HRCADAONSA-N 440.570 0.728 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1359335329 IDPSBBOKILVLHA-OAHLLOKOSA-N 447.627 0.942 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1471251175 DYYZSEQNNPEMNX-WMZOPIPTSA-N 437.518 0.849 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1507617070 QPPQURGWAYGKAN-GOSISDBHSA-N 433.534 0.932 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1507992785 IYOQIPHADPGKIQ-KXBFYZLASA-N 438.554 0.244 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1508096282 FIRFNSBNRRNLGN-HKUYNNGSSA-N 446.552 0.753 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1512435931 ULECAVHDUJRNQQ-DPHDRGAJSA-N 436.476 0.533 30 10 ICEE N#C[C@]12CN(C(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C[C@H]1CS(=O)(=O)C2 1539118217 IQCNDZMGADBODW-HUTHGQBESA-N 442.280 0.986 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540869955 BBTCXLYHWMOXFW-QGZVFWFLSA-N 426.525 0.899 30 10 ICEE N#Cc1cn(CCC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c(=O)nc1O 1543238447 HREWYTLJNAEKQP-UHFFFAOYSA-N 435.440 0.745 30 10 ICEE C[C@@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1586809269 ZJWDQPAIRZIKNU-NRFANRHFSA-N 448.545 0.920 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595467257 QRPWYKFYLCOLFT-JKSUJKDBSA-N 441.492 0.612 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1595551839 WIMCSRIGBJYXOJ-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)c1ccc(Br)s1 1611159287 JSUFXFZDZDYFCL-BONVTDFDSA-N 446.348 0.979 30 10 ICEE N#C[C@]12CN(C(=O)CS(=O)(=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1636512954 WWHPCRNNZVXIPQ-XHDPSFHLSA-N 447.332 0.620 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690142542 PYNYUWZGRFVVBF-INIZCTEOSA-N 442.545 0.741 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNS(C)(=O)=O 1690237390 YIGMKJFPNSPBPF-GJZGRUSLSA-N 428.559 0.383 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690722269 CMDIEEBALWYESY-SJLPKXTDSA-N 447.565 0.493 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1722430069 WEEGJSRJDYYPRF-UHFFFAOYSA-N 430.601 0.198 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722458749 SBUDYYPOGQDRJP-IAGOWNOFSA-N 447.609 0.632 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1722695944 VZTXXFOYUXHKKN-MRXNPFEDSA-N 448.911 0.861 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1723675598 HSTYNFJVSAKKQU-UXHICEINSA-N 436.488 0.619 30 10 ICEE C=C(C)COCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1740799441 MFBCHPHTYACTOE-UHFFFAOYSA-N 448.568 0.676 30 10 ICEE CCOCc1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747201893 RWTOSZGUHNGISC-ZCXUNETKSA-N 439.467 0.728 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748819099 KMRYBSJOSIOHNE-WIYYLYMNSA-N 448.520 0.786 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC)CC1 1749015722 LBOMJYAQAVKTAN-UHFFFAOYSA-N 426.525 0.242 30 10 ICEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749408848 OQAMMPSJDQRVJA-UHFFFAOYSA-N 434.541 0.678 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1749669959 QBDOLLUIUDCBBZ-OAHLLOKOSA-N 438.510 0.143 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1749725518 RSJOZUXFSNMZSM-YOEHRIQHSA-N 449.599 0.494 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 1760412819 RWFPVCKVYDJZLQ-AWEZNQCLSA-N 426.543 0.150 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Br 391807464 LNEVOVHKBXXKNN-NSHDSACASA-N 436.305 0.958 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 505666352 WFFCXUHVRCEDHR-UHFFFAOYSA-N 429.546 0.012 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 535324900 HGURLQDROJIXSE-UHFFFAOYSA-N 439.538 0.397 30 10 ICEE C[C@H](NC(=O)[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(N)(=O)=O)cc1 546919416 WPBGUFSPEIISOQ-JKSUJKDBSA-N 442.545 0.989 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 558996418 DHGNJOUGAJHZNU-CQSZACIVSA-N 434.513 0.574 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N/CCc2ccccn2)C1 760321392 QEJPBVDNMIINAT-KRIJKFCRSA-N 432.550 0.864 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649819 SMTRAXMTNAUCFU-UHFFFAOYSA-N 442.541 0.772 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781650518 YQWYKKJQMJPMKC-UHFFFAOYSA-N 428.514 0.382 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1 789323234 JNMLTWSSBBNVSR-UHFFFAOYSA-N 430.509 0.497 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 794877936 MXOJTCRLLFQDMO-GOSISDBHSA-N 434.541 0.775 30 10 ICEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 805779690 CRJLJZYPEWTFKE-FQEVSTJZSA-N 433.578 0.440 30 10 ICEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 1248552115 GLXNBWFLDVBDTP-AWEZNQCLSA-N 431.497 0.514 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1286376147 GHQCPSNSHPOGGJ-KRWDZBQOSA-N 435.506 0.443 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1286940233 AVUALLSSVCNPFW-IBGZPJMESA-N 437.504 0.684 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300493410 SZJXSLPWGZBGQC-STQMWFEESA-N 435.535 0.064 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](F)COC)CC1 1300691319 UZLRSTBUWKMPAN-KRWDZBQOSA-N 425.472 0.661 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(CO)CC2)nnc1[C@@]1(OCC)CCOC1 1301596021 FLDBCFFFUUGPLH-LJQANCHMSA-N 428.555 0.740 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965072 NHUBVQKZLOKPHD-KRWDZBQOSA-N 430.534 0.369 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC)C2)CC1 1359046655 AQHAGQCXTLTORD-GOSISDBHSA-N 441.580 0.708 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 1443359807 ZHZYQMHBCUQVEB-UHFFFAOYSA-N 447.540 0.090 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1452726092 SWVSRGNGQLNDLC-KRWDZBQOSA-N 433.417 0.943 30 10 ICEE Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C#N)c1=O 1458052655 FVNXLPHUWYGPNS-UHFFFAOYSA-N 444.300 0.763 30 10 ICEE C#CCN1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1465280083 JGEZLOFDZRRSTN-KURKYZTESA-N 439.578 0.824 30 10 ICEE C#CCNS(=O)(=O)N1CCN(c2ccc(Br)c(C(=O)OCC)n2)CC1 1472862301 APLKMFLCSRUKGS-UHFFFAOYSA-N 431.312 0.610 30 10 ICEE C#C[C@@H](CCC)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1478895217 ALOFIVUUSXNYIS-KRWDZBQOSA-N 435.550 0.736 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1507631664 FUWLVQDCJMZWCI-DOTOQJQBSA-N 440.591 0.997 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2COCCO2)c1 1539038728 UABXZQUCZSXSMI-GOSISDBHSA-N 440.504 0.888 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCN(C)C2)CC1 1539469164 OGFYPGPIVOHZSN-VGSWGCGISA-N 448.568 0.035 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC=CCO2)CC1 1539488055 FNUBGBGFABHLLW-SFHVURJKSA-N 426.521 0.711 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cc[nH]n2)CC1 1594194547 WXCWMDZAECPQNW-ZDUSSCGKSA-N 436.542 0.444 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCN1CCCC1 1611711535 PQUIZLJXAOWCOO-IRXDYDNUSA-N 439.586 0.883 30 10 ICEE CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1614963505 DLLJCPGZZFDQEG-GJZGRUSLSA-N 441.558 0.123 30 10 ICEE CN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1617615817 GBGPCYRFIXASMN-CABCVRRESA-N 449.512 0.403 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1620164951 BANNVWPFOHLKTK-MRXNPFEDSA-N 443.533 0.472 30 10 ICEE O=C(C#Cc1ccccc1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623707678 HIGVNDLKDISRRQ-UHFFFAOYSA-N 440.525 0.803 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(=O)nc1O 1626836216 FWEZVAPADAPUCA-UHFFFAOYSA-N 433.827 0.988 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1 1631851267 JGMBZIHPZMYWDJ-UHFFFAOYSA-N 432.433 0.822 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)CC1 1644285178 LHYWFSUFBKYVKA-UHFFFAOYSA-N 428.514 0.815 30 10 ICEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1677170466 UZLLSCYMFNQXAP-GOSISDBHSA-N 428.537 0.842 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689987754 BQVKOUFLAVGOPU-KXBFYZLASA-N 432.506 0.167 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690676810 FEEUNSZRZYBXGU-HNNXBMFYSA-N 430.513 0.514 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690724448 PFNRNILYNLVURJ-KDOFPFPSSA-N 425.511 0.414 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1690729239 JSCIHOUOAFGANJ-UHFFFAOYSA-N 435.506 0.403 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705565123 GLEDGFSWZCFMMN-GUXCAODWSA-N 435.550 0.277 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1705934523 OPWJIDXVVMLAAF-INIZCTEOSA-N 447.565 0.948 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705936223 LYSZOKVZHOYDLB-XHSDSOJGSA-N 439.538 0.708 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2n1 1722353240 UNCWTZAUADBNCJ-KRWDZBQOSA-N 443.533 0.571 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722372258 SKMNJRUVCDNNKD-OKZBNKHCSA-N 449.577 0.842 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722430522 DMNBRAKXELSBMP-ROUUACIJSA-N 439.582 0.725 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722436303 CFNHMDOJTNCFQV-IBGZPJMESA-N 435.532 0.735 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722535335 GEDLJPAJPDHHBR-SFHVURJKSA-N 446.552 0.821 30 10 ICEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722618916 XBTBCWYNRLLBAD-SFHVURJKSA-N 446.552 0.646 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1722698682 KFPQJNMVFHHTOU-OAHLLOKOSA-N 431.518 0.751 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722701078 FOAIMGAIZHNXRH-UHFFFAOYSA-N 449.537 0.173 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1740671658 LSDQWSIUQJKDNJ-MRXNPFEDSA-N 431.518 0.552 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741173190 IXZXSLYNOYKBFZ-UWZWCOGJSA-N 429.481 0.743 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1748673152 ZJXAXAIRVUGZJW-HUUCEWRRSA-N 428.580 0.996 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCOC)CC1 1749170958 ZWNYCDJGPZYKIZ-AWEZNQCLSA-N 428.559 0.443 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1750155363 ZJYZHMIPIPMNCM-JYJNAYRXSA-N 441.554 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760269316 FFANAHXMFXUMRS-FUHWJXTLSA-N 449.577 0.920 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(=O)(=O)CC)CCOC1 1767439626 NOEPMPBFKIASHH-ROUUACIJSA-N 444.533 0.702 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)C1 1858334813 JBSRKAJVVSDKOA-OAHLLOKOSA-N 438.465 0.734 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255873750 NVACRSPZKFEUEZ-FKIZINRSSA-N 433.318 0.854 30 10 ICEE C#CCN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[C@@H]1CCS(=O)(=O)C1 111191344 RNHJYFDAXOUUKV-GOSISDBHSA-N 435.571 0.936 30 10 ICEE CCn1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 434459693 MHWFGVBPTCVUGS-UHFFFAOYSA-N 429.502 0.956 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 525473408 RSFKIHPDZUFHML-IBGZPJMESA-N 428.533 0.750 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 554198067 SPEWJYJNVOHXKH-PMACEKPBSA-N 445.479 0.697 30 10 ICEE CCN1C(=O)[C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCN2C1=O 752760898 GBTQYYTWJBKGTK-CQSZACIVSA-N 433.490 0.000 30 10 ICEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2c(Br)cnn2C)CC1 782231557 LNZKVZDIRPGKSB-UHFFFAOYSA-N 442.343 0.960 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 790313233 WYEUWMGIYKIJEN-UHFFFAOYSA-N 445.520 0.852 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccn1 795972083 XGGNMMCDZZWAJP-UHFFFAOYSA-N 428.470 0.784 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1OC 1175230548 XFNPTHAZIPDKGC-CVEARBPZSA-N 437.518 0.992 30 10 ICEE COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCC(=O)NCC#N)CCO2 1227972073 AZMUUVBMZDDAMX-UHFFFAOYSA-N 425.239 0.779 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286389883 SCWRLKMJECCUPV-JZXOWHBKSA-N 446.533 0.413 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286788752 FHQCBPKNGQAVSV-KRWDZBQOSA-N 430.484 0.652 30 10 ICEE CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1286889056 CIKAULRHJIVGTB-WBVHZDCISA-N 437.570 0.083 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1286958750 BKXZBTYVAFAFBX-LSDHHAIUSA-N 425.559 0.887 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1300311824 WCXQWGOFEAEMGA-CVEARBPZSA-N 440.570 0.231 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1301481956 RAJAEGKZYIWRBA-WMLDXEAASA-N 446.483 0.811 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CCN1C1CC1 1329604553 YJJCFADVTGBXKK-CGTJXYLNSA-N 434.566 0.926 30 10 ICEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1439612765 IALIQNSXTVPKMB-KSSFIOAISA-N 441.456 0.642 30 10 ICEE Cn1c(=O)[nH]c(N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c(C#N)c1=O 1458602706 LUJWACLCYDVWAQ-HOTGVXAUSA-N 444.536 0.998 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 1471451324 RGIPIPYABATWMD-INIZCTEOSA-N 428.555 0.778 30 10 ICEE Cn1c(=O)[nH]c(NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)c(C#N)c1=O 1472766773 FCBWSCLERPTJCR-GFCCVEGCSA-N 446.430 0.841 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@](C)(C#N)C3)CC2)cc1 1473839185 UOUAMDRFZSLRFK-HXUWFJFHSA-N 434.518 0.337 30 10 ICEE CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCC1 1502395732 HRWSOORDGVVMTD-KGLIPLIRSA-N 425.559 0.791 30 10 ICEE COCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504698643 INCMWMHPRGNYPC-LZICOFPGSA-N 443.508 0.618 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1507753164 KGSSXFWBHPIKGM-UHFFFAOYSA-N 428.566 0.827 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508018556 GEFUWFXNXNZMPE-KIJUOZEOSA-N 446.533 0.885 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539230313 LLJDRHOEYLSRLD-IRXDYDNUSA-N 438.529 0.751 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1554501575 RTLMKDZILIRVBT-DOTOQJQBSA-N 432.506 0.815 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588045628 NNPRTQJSOYBATO-OXQOHEQNSA-N 431.518 0.772 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1588647547 WURMXGNZWQKAPU-JKSUJKDBSA-N 443.595 0.593 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)CC1 1588752011 PJLOMJRXZBEKSF-SFTDATJTSA-N 435.594 0.942 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1 1593884847 KXUJOHLIQXWZSG-CABCVRRESA-N 449.961 0.605 30 10 ICEE CC(C)(C)OC(=O)N(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C[C@@H]1CCCO1 1636512884 VGYWFNDMNYSMLN-YZVOILCLSA-N 427.523 0.799 30 10 ICEE N#CCCN1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 1648963222 QFJQRVIPHNPKFX-UHFFFAOYSA-N 437.245 0.938 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CC1 1668970284 FBYUCYUWQMPQTP-HHHXNRCGSA-N 438.453 0.931 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1689988649 SZIBEAVIDMJKFL-CYBMUJFWSA-N 426.449 0.991 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1696845013 ZTZCEOBWMTZQOX-FZFLATATSA-N 443.508 0.542 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1722432736 CJDWQLIARKINGQ-DENIHFKCSA-N 433.553 0.881 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722702843 PMJALSYJHPGSNW-IXDOHACOSA-N 434.541 0.799 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722724906 IYLUCBBCTWROIR-UHFFFAOYSA-N 433.600 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1 1722728610 SFUZOVDXEFWPBD-INIZCTEOSA-N 433.490 0.328 30 10 ICEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)F)c1 1731179086 MJEQIWYGSLUPIS-HXUWFJFHSA-N 429.431 0.914 30 10 ICEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749276244 FYKBOHNSDHGPEN-UHFFFAOYSA-N 428.888 0.352 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1750216345 PQDHLXOCJJZSSX-MRXNPFEDSA-N 438.485 0.664 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOCC2)nc1)[C@H]1CCS(=O)(=O)C1 1760187148 UGBSCGUYPIBRQV-SFHVURJKSA-N 444.561 0.747 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760357115 DYKODWROPKJCMC-ZACQAIPSSA-N 443.570 0.817 30 10 ICEE CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1760695357 GDTXPSJRUSFGGG-HZPDHXFCSA-N 427.575 0.547 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1O 1767920017 JUGGXDCWLGPJIP-VVGBGTGLSA-N 441.488 0.717 30 10 ICEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCN3CCCC3=O)ncnc21 1875226992 VJFMGMPHOCLKTP-UHFFFAOYSA-N 430.509 0.469 30 10 ICEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656831 MWQRNSKJVKSINE-UHFFFAOYSA-N 434.302 0.960 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)o1 480932332 HWAWEOCEUMFULQ-HNNXBMFYSA-N 431.514 0.856 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489238362 VNLHFGYRENSWMC-UHFFFAOYSA-N 435.531 0.681 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 495831088 DWIUKNGTAFVRIO-AEFFLSMTSA-N 448.545 0.855 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544640044 MNDKCXLEBPXWHU-UHFFFAOYSA-N 440.481 0.674 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 548773651 FTLBDGDPAQCWBT-UHFFFAOYSA-N 426.564 0.940 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 582936025 BUGNKJOHKZHHRP-UHFFFAOYSA-N 448.526 0.693 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732669770 QMGSXFXLJAVRBV-MRXNPFEDSA-N 440.547 0.068 30 10 ICEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1C#N 747447083 UTSMCBCXDIYJGI-UHFFFAOYSA-N 436.515 0.859 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)ccc1F 779168551 IFFBHFVXLJEBBX-UHFFFAOYSA-N 427.498 0.999 30 10 ICEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C)[C@@H]1CCS(=O)(=O)C1 809829507 CLQNXCKTKLCVFY-CQSZACIVSA-N 436.563 0.710 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4cccc(O)c4)n3)n2C)n(C)c1=O 1084571611 MTRZRGMSWHNTQW-UHFFFAOYSA-N 427.450 0.392 30 10 ICEE C#C[C@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1141496904 WRYRTVXDPRIGKD-MRXNPFEDSA-N 445.497 0.959 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286389937 TVPCHYSGHPNKDH-SJORKVTESA-N 434.522 0.111 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)CC1 1286481238 UCZPYWQNYHEGCV-RTBURBONSA-N 434.610 0.667 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)n2)CC1 1286484148 JJTFJJQGEFECGK-UHFFFAOYSA-N 425.537 0.850 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 1286783935 QKROCSUTEAUTMH-UHFFFAOYSA-N 436.524 0.753 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286785656 IDKBOBXSIJGTGG-NVXWUHKLSA-N 432.525 0.553 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286786664 IKFXZOJVKOXNOO-UHFFFAOYSA-N 432.488 1.000 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1286810180 OGAJVJRRYFWKTK-OLZOCXBDSA-N 433.481 0.343 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1297759922 LUTWQVVAXUKHJB-GOSISDBHSA-N 448.549 0.998 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300492975 PWUKBWFZICGWOZ-ZACQAIPSSA-N 436.582 0.586 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1300545575 SBCVLVILSQIEMM-GOSISDBHSA-N 429.550 0.637 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H]2C)CC1 1300711129 SUUKIHFCXVPLKI-QGZVFWFLSA-N 429.569 0.866 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300948836 CQQVDPDKVPHTQS-JKSUJKDBSA-N 440.570 0.682 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1300991089 PENSYVGUJLNLJI-QAPCUYQASA-N 442.517 0.646 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1301152560 ZUBHHLXVMFAUFC-HUUCEWRRSA-N 440.570 0.525 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2O)C1 1301568625 VGZQZRUVLUGTSD-UHFFFAOYSA-N 446.533 0.778 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c3c(nc4ccccc24)CCN(C)C3)CC1 1302924373 LEFVQBLFZAKTPY-UHFFFAOYSA-N 427.530 0.448 30 10 ICEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1320107243 LPKICCPYKHQGIS-HNNXBMFYSA-N 426.454 0.776 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1358960116 XLODUFDTDBCHRR-CABCVRRESA-N 431.493 0.990 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358963596 KSEMDOLDVRQPKK-IXDOHACOSA-N 449.577 0.714 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359300282 XYHYCXCBPMTFAP-HNNXBMFYSA-N 440.570 0.382 30 10 ICEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1502374869 AAFBQPCJKGHXES-QGZVFWFLSA-N 439.520 0.930 30 10 ICEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1504825398 ZVAJCPVKPMJRMV-INIZCTEOSA-N 434.522 0.961 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505334763 DGXZIXQJGLVLHQ-ZJYNUGOYSA-N 427.509 0.849 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)c2ccccc2)CC1 1507719693 AHDZWEHGTCXRHG-GOSISDBHSA-N 445.593 0.780 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)NC)CC1 1507721569 WIFUXWOJZRLVEK-UHFFFAOYSA-N 428.518 0.996 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507732840 XZGUBZDYBPICCC-MXLIYFDZSA-N 425.493 0.064 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507755109 RGXVRAHJDUMHBI-OAHLLOKOSA-N 428.522 0.182 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC(N)=O 1507810272 YILHUTNOVLUJNN-CTASWTNQSA-N 428.559 0.570 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508089836 GKCVYAASCBJKJM-INIZCTEOSA-N 442.524 0.518 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539125533 NXCMVHGVJUPDNO-INIZCTEOSA-N 445.549 0.719 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC 1539557064 KWNLLJQJZGMDBJ-NOVJBRECSA-N 443.595 0.372 30 10 ICEE Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1588157793 HNTDJJCOHJCKIF-IBGZPJMESA-N 442.501 0.626 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588769099 ONHQLFOSSNKZIS-JOCHJYFZSA-N 443.573 0.812 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602485 LFYCPRZQKAJYAD-LEWJYISDSA-N 432.525 0.480 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1595788935 LFOXNRYSZMDVGW-HNNXBMFYSA-N 438.554 0.135 30 10 ICEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1620441767 YUFJEBPFTMAYQO-HXUWFJFHSA-N 434.518 0.526 30 10 ICEE C#CCN(C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@@H]1CCS(=O)(=O)C1 1625363012 HRFNJAKSQTVUJA-KUHUBIRLSA-N 430.498 0.611 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1628681500 VOOMPWPNUMCWQY-UHFFFAOYSA-N 435.502 0.224 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1689966382 QGJZZFPPBSHRDU-CRAIPNDOSA-N 433.534 0.782 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1690622396 ORWQNLDCAAFSAF-HNNXBMFYSA-N 427.571 0.981 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1698254447 KRTSBWRKJKLQMC-UGUYLWEFSA-N 425.511 0.166 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1705516921 LHZXFCZADYFGTG-BEFAXECRSA-N 438.554 0.116 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705608247 KFMCVQJYWBOUPK-QGZVFWFLSA-N 449.519 0.875 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1722344948 MQTOWGRQVBVLMB-OAHLLOKOSA-N 433.538 0.238 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1722421468 LLNLEBRGISRROG-INIZCTEOSA-N 445.549 0.979 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCCc2ccccc2)CC1 1722428881 CICWODVREBEWCZ-UHFFFAOYSA-N 437.548 0.530 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1722446578 DTXDZZMVRFPUTB-MRXNPFEDSA-N 430.509 0.813 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740960629 WOFQVNRWRIPQCM-PBHICJAKSA-N 447.517 0.716 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1748773448 XDTHPXOMUCKEGE-QGZVFWFLSA-N 446.577 0.838 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760189825 MCRWIVZXOAAZFD-MRXNPFEDSA-N 440.591 0.825 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760191295 FBJYXPJCCFNTQC-QGZVFWFLSA-N 436.582 0.367 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCN(C(C)C)CC2)CC1 1760257392 VPCMJAAYOXAAHV-FQEVSTJZSA-N 448.612 0.993 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760546380 NPYRTGNLUHHTEF-PXNSSMCTSA-N 433.534 0.595 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2C[C@H](C#N)[C@H](c3ccccc3Cl)C2)n(C)c1=O 1849859352 DODFKSDJYIZPSV-GXTWGEPZSA-N 426.864 0.853 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)[C@@H](C)C2=O)CC1=O 1854924331 CACXSXLOQDHDBJ-RYUDHWBXSA-N 425.429 0.362 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)CC1=O 1856791496 CPABDVJSNATALY-CJNGLKHVSA-N 430.429 0.988 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cn1 732561574 QAOSANUGGGMPEV-UHFFFAOYSA-N 443.573 0.577 30 10 ICEE COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732708548 TZZYJFBJAIBZQQ-KRWDZBQOSA-N 427.461 0.117 30 10 ICEE C#CCN(CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 749281299 PYBFGJZZPBPQHC-LJQANCHMSA-N 449.573 0.839 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCOC[C@@H]1C1CC1 766056317 KFDPUOGYONDRPO-MRXNPFEDSA-N 435.502 0.686 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 781522563 AFQQIQLLTXVPFT-HNNXBMFYSA-N 430.935 0.617 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 812196494 RTBOXUXGRILMJQ-CABCVRRESA-N 444.558 0.269 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)NCc2cccc(C#N)c2)C1 1196631459 GCWYGRFUYMBPDT-UHFFFAOYSA-N 427.505 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCN(C)C2)CC1 1286491494 UJLKUTYSFLHRNH-QHCPKHFHSA-N 437.548 0.296 30 10 ICEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1298089540 YRWLHZVKIVZETE-UHFFFAOYSA-N 447.565 0.477 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1300501198 HSHSZCMSYMZFRZ-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1300654457 XOWOJXUENMJXCS-RDJZCZTQSA-N 433.534 0.978 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1cccs1 1301952080 GKYRWLTXRGPDPU-STQMWFEESA-N 439.567 0.976 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]23C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)CC1 1302924484 NAMTWHVYSXHDQO-QMTMVMCOSA-N 426.539 0.292 30 10 ICEE CS(=O)(=O)CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316341127 GYYYXEWYGYJRRV-GUYCJALGSA-N 445.542 0.447 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)COC2)CC1 1359045476 IWFVKVRNSMQMRZ-MRXNPFEDSA-N 435.550 0.183 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC)CC1 1359048305 LWACAMOVDOROMZ-WMZOPIPTSA-N 432.525 0.104 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)CC1 1465611466 FBUOHCIPYUEKKR-UHFFFAOYSA-N 429.524 0.065 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCN(CCC#N)CC3)CS(=O)(=O)[C@H]2C1 1471237067 DXXTUOBTPDPLDR-ZACQAIPSSA-N 440.566 0.714 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 1475667657 QCUFTHAOMWNFDS-LBPRGKRZSA-N 428.312 0.876 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507523742 OZRYNJQTUFXYMD-CJNGLKHVSA-N 434.464 0.367 30 10 ICEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)nn1 1529540120 MSPIAWLIYUEQGA-UHFFFAOYSA-N 434.522 0.481 30 10 ICEE Cn1cc(Br)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1=O 1536434038 AXERIKJJAZBUMV-UHFFFAOYSA-N 425.264 0.825 30 10 ICEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 1537528009 KNMDVDPTQXWHPA-INIZCTEOSA-N 447.536 0.961 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539490463 VWBSKTLKFOGXPY-MRXNPFEDSA-N 431.566 0.921 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540917354 UBBNKRKVNWILKC-RRFJBIMHSA-N 444.579 0.460 30 10 ICEE CCOC(=O)[C@@]1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1558007265 MBNSXBZQNDRUFE-HRAATJIYSA-N 428.445 0.944 30 10 ICEE CS(=O)(=O)CC1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)COC1 1583854070 MVBAKEAJKLSGQS-UHFFFAOYSA-N 429.502 0.658 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1588751882 ORLTWMHRBRSFDO-REWPJTCUSA-N 446.596 0.795 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NC)c2)CC1 1588864577 GOJRCFRCKYSYGQ-UHFFFAOYSA-N 435.532 0.564 30 10 ICEE C=C(C)C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1589370785 FZLGSLULYIMJLI-INIZCTEOSA-N 425.507 0.681 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1595476843 NWNZWGMFOPLEJR-LBPRGKRZSA-N 427.556 0.592 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595784890 MPXJYNDYLFJWOE-AEFFLSMTSA-N 449.581 0.436 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1612886698 PFMUEZSJUAYGEO-KIJUOZEOSA-N 443.508 0.656 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1627136470 IYEFNZHHMOPOQE-MAUKXSAKSA-N 425.532 0.726 30 10 ICEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1628651342 SPCGHHWLBVPUNY-MJRGOJFPSA-N 433.530 0.181 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1636354216 UQYCJPRKEARFLQ-QGZVFWFLSA-N 435.550 0.316 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC2(C)C)CC1 1690136417 DXRUIHULRPWKOC-GOEBONIOSA-N 436.582 0.900 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1698318542 CCSBHOVSIUFBQN-LSDHHAIUSA-N 432.462 0.480 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705565289 GJOGNWPNHQUINE-HUUCEWRRSA-N 448.574 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)CC1 1705647756 LBZXCPMIGYUBHG-SJORKVTESA-N 430.509 0.001 30 10 ICEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705808477 ONUDXTLUVWBYEM-UHFFFAOYSA-N 443.552 0.684 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722368159 PFVGUNJFWBWLAR-CLTPODQCSA-N 426.564 0.320 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1722419263 VKCIXRRLWMKQKB-UHFFFAOYSA-N 431.585 0.626 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 1722582214 MUOKGVFIIDYWGV-INIZCTEOSA-N 440.570 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722728537 WTBPZASGSMSFBC-INIZCTEOSA-N 433.538 0.481 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1740657467 SNKUSVKCFLRWEK-GOSISDBHSA-N 449.577 0.891 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1 1740767816 ZSOLWFBSWOCWBK-CQSZACIVSA-N 428.559 0.573 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1740959651 BSMUGEKNFWZOCF-AWEZNQCLSA-N 432.506 0.146 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1748929798 PSQMKQPTMDYATR-BBWFWOEESA-N 425.555 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)CC1 1749001084 HQHBWHXUEXNESV-UHFFFAOYSA-N 429.569 0.868 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1749119995 ZFTLXNDNLSZADK-XGUBFFRZSA-N 426.543 0.181 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749729884 VEVQQCCBDBPKDK-SFHVURJKSA-N 433.534 0.887 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760188291 JHXBSZAPQURWFI-LPHOPBHVSA-N 434.522 0.111 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760190448 WLSSMUNLAMKXFD-YLJYHZDGSA-N 433.534 0.754 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1760201950 OHOCMFGTWBVAQN-QGZVFWFLSA-N 426.502 0.192 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CC1 1760268964 SQOYKJMPZYLWTC-KRWDZBQOSA-N 440.552 0.365 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760558347 MQBALOIPWKIMOS-KXBFYZLASA-N 441.554 0.198 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN([C@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1853619341 BHNRUDDCMPTSKA-HOTGVXAUSA-N 431.514 0.978 30 10 ICEE C#CC[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 2210482783 SZCAMMZOXPEADM-XGUBFFRZSA-N 427.498 0.360 30 10 ICEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267537115 OGXXQLOGHWNSAG-QWRGUYRKSA-N 445.251 0.643 30 10 ICEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@H]1NCCNC1=O 100020552 NVJREIJMGYSWCD-QZTJIDSGSA-N 438.569 0.866 30 10 ICEE NC(=NO)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@@H](NCC(=O)O)C2CCCCC2)cc1 256069706 NIPUHXUEGZHFLD-HKUYNNGSSA-N 445.520 0.621 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 433966671 AYFBNZYKBHWFQR-UHFFFAOYSA-N 426.498 0.955 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 441666847 NIRSUCLYZUQIRJ-UHFFFAOYSA-N 442.451 0.917 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)C1=O 474230313 SIXONYSAZQWTGM-UHFFFAOYSA-N 428.474 0.625 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c1 537394073 JSOMSVWIAZMUMA-UHFFFAOYSA-N 434.477 0.493 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)C1=O 726034159 BSCNUIGEHQZEDA-INIZCTEOSA-N 442.472 0.412 30 10 ICEE C#CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)[C@H]1CCS(=O)(=O)C1 731213933 ZKCZWZKRPPSJNA-LBPRGKRZSA-N 442.515 0.691 30 10 ICEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732467432 XCCYQENZVIYDKF-UDJKBAMHSA-N 432.525 0.287 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CC1 732651046 RPUWJMGOSXUIAN-LJQANCHMSA-N 445.545 0.352 30 10 ICEE Cc1nccc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 760096148 ZOMRSPQOGWIQHU-CQSZACIVSA-N 428.518 0.951 30 10 ICEE C[C@@H](C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)n1cnc(C#N)n1 798994822 WPDHZPRUCYFNAS-LSDHHAIUSA-N 431.497 0.781 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 798995918 HNVUAOXCJJXXLR-AWEZNQCLSA-N 431.497 0.918 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 812441002 RRWWJQSWMKAVQC-ROUUACIJSA-N 435.550 0.643 30 10 ICEE C=CC1(CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1136239670 IHOQFTBRPKVFTR-CQSZACIVSA-N 429.539 0.609 30 10 ICEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1)C(=O)OC(C)(C)C 1141636499 SEEVTVVCVQWIJX-UHFFFAOYSA-N 439.490 0.947 30 10 ICEE COC(=O)[C@@H]1CCCN(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C1=O 1161250608 LJXCMDAULGLIKF-LLVKDONJSA-N 439.266 0.581 30 10 ICEE Cn1c(O)nc(N2CC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O 1179243380 NHNCOQWUSOMMLL-INIZCTEOSA-N 445.520 0.831 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccc(Br)cc4)n3)C2)c(=O)nc1O 1181000845 QXBCMQGANKUGNP-UHFFFAOYSA-N 442.233 0.861 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1286383689 YVTMNPQQZQTOPD-MRXNPFEDSA-N 448.553 0.115 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)CC1 1286482081 ZPQREEKTPCIQLW-KSZLIROESA-N 436.582 0.583 30 10 ICEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286503179 AZAXEZTXCXGWSP-UHFFFAOYSA-N 443.577 0.620 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286507960 DTPWFNXNWDYQTA-ZNMIVQPWSA-N 439.563 0.481 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286509560 TVNVUIWEAJESKF-GOSISDBHSA-N 432.594 0.893 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286794158 YIGUWANZIXVJPB-BMFAXAFESA-N 435.525 0.689 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1296663707 JRAWLSCZEHSPIM-GHTZIAJQSA-N 434.541 0.771 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 1302924535 ORTQPHCWVYCUEN-UHFFFAOYSA-N 443.551 0.393 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OCC)CCOC1 1359305769 MJSHVRSOQYODOX-NRFANRHFSA-N 444.540 0.741 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359327662 HNZSKFALPFGFJO-HNNXBMFYSA-N 429.543 0.917 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CCS(C)(=O)=O)CC2)s1 1443518691 VAEXKVRUNLARCD-UHFFFAOYSA-N 449.620 0.380 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)CC1 1475233391 JBMMDUVUXKWZQI-UHFFFAOYSA-N 440.323 0.950 30 10 ICEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1499949251 FRUJWSBQTURJRX-JTSKRJEESA-N 437.504 0.515 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O 1507791170 IQSCIIXWOOQVAT-HZPDHXFCSA-N 425.555 0.976 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1511715597 FAILMAPOFNKAEU-IAGOWNOFSA-N 433.538 0.693 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539222837 XIOYEAHHTFUBKG-IPMKNSEASA-N 449.577 0.667 30 10 ICEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1554565313 FZHUKOGTUNYCGR-UHFFFAOYSA-N 427.465 0.705 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1555817481 CIJFWTSBLYTRAT-HOTGVXAUSA-N 429.506 0.081 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587851335 IHNHFIRGTKZISY-NZSAHSFTSA-N 427.553 0.631 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1595799025 VUTVIXGZKWTZNE-AWEZNQCLSA-N 443.551 0.714 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1620484670 GRXMKNDZWUJYJC-INIZCTEOSA-N 446.447 0.835 30 10 ICEE COC(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 1627900131 AMGPHBOVEYSGTK-UHFFFAOYSA-N 432.462 0.617 30 10 ICEE N#Cc1ccncc1N1CCN(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)CC1 1685289979 XRUZHWSCDXOKGM-UHFFFAOYSA-N 437.382 0.810 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1690033123 QSSINODRKIYQJJ-QGZVFWFLSA-N 436.582 0.462 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1690219449 FEGKFTYWCQXFKY-MNOVXSKESA-N 435.348 0.464 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690507476 NACLQPMHWIPTMA-RDJZCZTQSA-N 445.524 0.589 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705565287 GJOGNWPNHQUINE-CABCVRRESA-N 448.574 0.945 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1705612906 SCYOQEDAMYZCPP-MRXNPFEDSA-N 438.510 0.253 30 10 ICEE C=CCCOCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705831753 BPQUURPCKSRHTB-UHFFFAOYSA-N 434.541 0.678 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N1CCOCC1 1722295567 XIZYCPATPGRSMX-HNNXBMFYSA-N 445.549 0.555 30 10 ICEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740746483 LCEGBEHVRPYEAO-AWEZNQCLSA-N 446.309 0.320 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740958534 DAHJZRUPKJJTBY-LPHOPBHVSA-N 429.569 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740990140 JTOAFTDWXXCDQF-AWEZNQCLSA-N 437.526 0.556 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740995181 CQEPIERFBQBPFW-OKZBNKHCSA-N 439.582 0.887 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748811886 NHSQTXWNJSHALA-KRWDZBQOSA-N 429.550 0.848 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1749575558 TZNLENOWPMCBRS-QGZVFWFLSA-N 435.554 0.880 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749729862 UVALNRLPAXVEEA-CVEARBPZSA-N 430.534 0.903 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CCN1C1CC1 1750388690 RHHGQROSTMNIJX-DZGCQCFKSA-N 444.508 0.986 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760280504 GBMUUWRGPRPVHM-HZPDHXFCSA-N 425.580 0.652 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760440973 VBFVMDOVURQIFL-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2cncn2)CC1 1760526351 LSIZAWJPNZIGAT-UHFFFAOYSA-N 438.540 0.950 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760528196 VKGCNYAQMOBZTH-QGZVFWFLSA-N 449.533 0.791 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1770202085 MRBHJGGQWAQEFT-LLDVTBCESA-N 427.502 0.879 30 10 ICEE COCCCn1c(C(=O)N2CCCc3nc(C#N)ccc32)cc2c(=O)n(C)c(=O)n(C)c21 1848589668 MVYFNKRSAMWNAP-UHFFFAOYSA-N 436.472 0.935 30 10 ICEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856842342 NTTSBOCNDJRQIC-GDBMZVCRSA-N 438.481 0.191 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2255607037 VZBNMOYDWIHUSF-FKIZINRSSA-N 433.318 0.854 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255637600 DVXNNOBWRQXNEU-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE Nc1ncnc2c1nc(N/N=C/c1ccnc3ccccc13)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 504694908 MXYYYAAHYYMFPZ-OPAYRQNBSA-N 436.432 0.014 30 10 ICEE CCOC(=O)[C@H]1CCCN(C(=O)C(/C=C2/C(=O)ONN2C)=NC(=O)c2ccccc2)C1 585673817 UTZOYNJPFXBOEG-RSXIPYKUSA-N 428.445 0.862 30 10 ICEE C#CCN(C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 742052938 WSKKRKXXWHAPFF-HNNXBMFYSA-N 437.543 0.496 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(=O)(=O)CC 802569172 BESPACCSIRTVMR-CQSZACIVSA-N 435.572 0.058 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1288840031 FVTXSSITUCZOHB-UGSOOPFHSA-N 433.542 0.604 30 10 ICEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1293384553 ADQZLFOMTKRMDN-OAHLLOKOSA-N 425.445 0.267 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1299138633 YKJPFKPEIBOBHT-DLBZAZTESA-N 437.504 0.683 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300268245 PVOVPPUMBXOYPB-CQSZACIVSA-N 425.493 0.138 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1300521423 WUJFBJAYFAHLJF-SFHVURJKSA-N 431.504 0.714 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1301492602 KZFWNZXHZZQKCV-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1358930136 PABUFSGEAXUXQY-QGZVFWFLSA-N 435.554 0.877 30 10 ICEE N#C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1436960741 GXFQUTPIQKLTEE-DLBZAZTESA-N 448.545 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2O)CC1 1455116276 WQXRUHXQCPGQMA-UHFFFAOYSA-N 425.417 0.082 30 10 ICEE C#CCC1(O)CCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1460691573 KKOZWDLZZFYESG-UHFFFAOYSA-N 435.525 0.161 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCOC34CCOCC4)CC2)cc1 1479538360 KOUNCUAAUIUZTO-SFHVURJKSA-N 434.518 0.912 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1=O 1504924747 GLTGSKMABXBIDJ-UHFFFAOYSA-N 428.493 0.795 30 10 ICEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 1505320282 WLGQQIDYNPXZLX-KRWDZBQOSA-N 440.508 0.221 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCC)CC1 1507732761 KTLKOCGFFIZFTG-UHFFFAOYSA-N 429.525 0.006 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(C)C)CC1 1507738681 VKGJMSGYQSQUSW-OAHLLOKOSA-N 441.536 0.922 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539201218 YRXRAIOLZXITPQ-HNNXBMFYSA-N 425.555 0.858 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1539296893 VQWOJVHGZQCJHZ-ZWKOTPCHSA-N 436.582 0.320 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540902278 FODVBFGXDFFSIE-CABCVRRESA-N 449.537 0.905 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CC1 1541206282 JPGWFJXQKGRAQU-HUUCEWRRSA-N 434.497 0.840 30 10 ICEE C[C@H]1COCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1545121736 WJUKVSLQFMJELN-HLAUDOPJSA-N 429.481 0.152 30 10 ICEE N#Cc1nc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1Br 1584525532 FRMFGOPLPVUEHM-SECBINFHSA-N 440.279 0.820 30 10 ICEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1589053284 MIAUGLVRZUHHDZ-CQSZACIVSA-N 447.590 0.916 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)c1 1632238308 LJHOEURGMDKTHK-UHFFFAOYSA-N 435.527 0.479 30 10 ICEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)CC1 1655093575 DMXDZILDVWLMIZ-QGZVFWFLSA-N 437.591 0.567 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)CC1 1666441948 VPZDSSUPTUZPRF-MRXNPFEDSA-N 435.550 0.966 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCN(C)C1 1690264714 BBDNELHCZDRVMO-LPHOPBHVSA-N 442.586 0.080 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C2CC2)CC1 1705647658 KDSKBXKKGRARMR-YJBOKZPZSA-N 427.553 0.678 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1710972127 CKDAAFJNSVSGQS-HKUYNNGSSA-N 440.552 0.955 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCN(C)C2)CC1 1722448779 HRCZNQWBDUGLOH-JOCHJYFZSA-N 442.589 0.963 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1722588039 IMXUIJKJWMYTOZ-CABCVRRESA-N 442.586 0.913 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740604842 IHLVAYYROWBOEE-OAHLLOKOSA-N 441.521 0.272 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCC2)CC1 1740689273 UGLWJNIJEITRON-UHFFFAOYSA-N 427.553 0.672 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1740700077 DZIVAAZOGCLCNW-NRFANRHFSA-N 434.610 0.778 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1740850474 HKCGCVZXACVTND-GJZGRUSLSA-N 425.555 0.734 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740875634 GZZLUMVFSUGVBQ-HUUCEWRRSA-N 449.599 0.447 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748819097 KMRYBSJOSIOHNE-NQIIRXRSSA-N 448.520 0.786 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CCOC)CC1 1748972063 BEYRUIVIPMSVQA-UHFFFAOYSA-N 426.525 0.259 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1749342521 HWVQMOZVLKAXHM-KRWDZBQOSA-N 437.566 0.832 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@@H](C)CC 1760116751 JTIKEZUKFSOVRM-JYJNAYRXSA-N 440.570 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2)CC1 1760265322 XCHQIMZVFOMKOV-UHFFFAOYSA-N 447.503 0.673 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)nc1 1760288473 DBSHYEAMLJYTCF-BFUOFWGJSA-N 431.522 0.423 30 10 ICEE CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)[C@H]1CCOC1 1768561990 NGXSANDXGDFFLH-BBRMVZONSA-N 436.494 0.349 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1770728627 RUACWNGQNUTYIA-DLBZAZTESA-N 440.888 0.985 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772793426 YLNMSDGHUREFRS-UHFFFAOYSA-N 432.410 0.896 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625533 LGCRJKRAXUBUPA-LBPRGKRZSA-N 435.290 0.483 30 10 ICEE 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 2213501037 UQIXGLWNYOGQFU-FZKCQIBNSA-N 441.525 0.750 30 10 ICEE CC(/C=C/C(=O)C1=C(O)NCC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@]32CO)[C@H]1C 256446755 UNOPAVUMZBJPHH-NYVQJXNNSA-N 433.457 0.485 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1 614909408 KVENOLOBUCZQAL-UHFFFAOYSA-N 441.553 0.979 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 728531807 QMODJBNCYBMJKK-UHFFFAOYSA-N 447.492 0.462 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735295431 XFZODSNZEWVTMV-UHFFFAOYSA-N 437.481 0.483 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1CS(=O)(=O)C1 787453353 LEQPXQOXPUFKBQ-HNNXBMFYSA-N 427.548 0.835 30 10 ICEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 807223683 HKAFTLNMHPBAOR-WDZFZDKYSA-N 440.456 0.986 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)C2)c(=O)nc1O 1256430097 XOOASWIMCNHOTO-SNVBAGLBSA-N 434.254 0.361 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286549210 WKZZIFCJXUZYDO-HKUYNNGSSA-N 447.584 0.656 30 10 ICEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NCC)CC1 1300421734 PTGLGQOPUQNCGG-UHFFFAOYSA-N 443.577 0.941 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1300479091 IDSWHQQGTNRXKR-IRXDYDNUSA-N 449.577 0.860 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1300671477 JPFTYRTVYNCLTM-KUNJGFBQSA-N 430.596 0.813 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)OC)CC1 1300711808 HQJSOOMOFUSMDG-HOCLYGCPSA-N 440.570 0.279 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCCCO)cc1 1302993299 BTQPKDUKPFCFPD-GOSISDBHSA-N 440.504 0.939 30 10 ICEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1337649200 IAFNVQOYPPGYPH-IBGZPJMESA-N 435.546 0.999 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC)C1CC1 1359251109 CIGOLZIWOJWILV-OAHLLOKOSA-N 436.542 0.426 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)c1 1464117489 PSBLJRPKAUWLFL-FQEVSTJZSA-N 437.518 0.241 30 10 ICEE O=C(c1cccc(C#CCO)c1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1470347538 MTDRCFWGUMZPDA-UHFFFAOYSA-N 427.526 0.767 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1503414861 ZNYMLHSOKXIQRF-FGTMMUONSA-N 431.518 0.980 30 10 ICEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CCN2C1=O 1503676235 YMCCKIFMRRFVQE-SFHVURJKSA-N 425.493 0.772 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507637134 IBHALYAFEMRYJK-OKZBNKHCSA-N 437.566 0.477 30 10 ICEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1515284148 HYJXCZIEVCOTCL-UHFFFAOYSA-N 445.549 0.767 30 10 ICEE Cn1cc([C@@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1538539890 OHKJVWFHQONXSG-VZHLBOQGSA-N 433.534 0.505 30 10 ICEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)CC1 1555990116 DUJOWWJXPVLTCT-HNNXBMFYSA-N 446.462 0.757 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1595551838 WIMCSRIGBJYXOJ-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1618930224 AISLJMHVISCBMO-CABCVRRESA-N 448.553 0.516 30 10 ICEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1630753940 XPHYZWMGETWBHW-UHFFFAOYSA-N 425.507 0.932 30 10 ICEE N#Cc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1Br 1632155579 BORVWNRECCKUPX-KBPBESRZSA-N 428.308 0.548 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1632960348 FKQVNSJACJYRLT-MRXNPFEDSA-N 441.554 0.575 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)CC1 1632966361 NIZHRSVSSFGBFD-UHFFFAOYSA-N 440.888 0.594 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1638389882 GABFACKXWVKETP-RZQQEMMASA-N 440.566 0.620 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1644638201 KVAMIPWUWAZYGM-SJORKVTESA-N 431.514 0.838 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)CC1 1671766612 ARHPBWXCAFLDIX-ZDUSSCGKSA-N 442.469 0.383 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1682963552 JMCJEECYNPEFOU-UHFFFAOYSA-N 436.534 0.429 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689992589 MOHZETFQISCHRH-OALUTQOASA-N 436.626 0.741 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690722226 BKGKXTYIGOFZTK-KXBFYZLASA-N 436.538 0.664 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCSC1 1692780911 DXORXRQYHZGJBO-IAOVAPTHSA-N 428.584 0.886 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705532172 HRLPJVSMXPROIL-QGZVFWFLSA-N 447.565 0.997 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705689252 ZZCYFNJSGVJQHQ-YNEHKIRRSA-N 444.355 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705934751 WCNDLOYAMJAWNV-RYUDHWBXSA-N 437.444 0.598 30 10 ICEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710820637 HWGPWTZOGZLINB-UHFFFAOYSA-N 441.540 0.791 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CCCCS3(=O)=O)CC2)c1C#N 1725861437 HOEWPBCFIIAVDE-MRXNPFEDSA-N 432.554 0.794 30 10 ICEE CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1729715317 FMQQYCARHOZYQX-OAHLLOKOSA-N 447.521 0.060 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC1 1740705196 CKZOVQFCIRLQRZ-IERDGZPVSA-N 430.509 0.001 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740958095 IFFSPZRMMOSCLQ-OAHLLOKOSA-N 426.477 0.939 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748801901 IYBUEADWHLXYFZ-KRWDZBQOSA-N 436.582 0.481 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1748846186 FDJJFNIMVXSEBV-HNNXBMFYSA-N 426.564 0.466 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1750059894 CROJLNWTDXDYHN-CQSZACIVSA-N 432.510 0.557 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1760187694 LKGPAKNDPDPODB-HZPDHXFCSA-N 432.481 0.438 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(C)(=O)=O)CC1 1760264660 VOWICERIVKIITO-UHFFFAOYSA-N 433.534 0.666 30 10 ICEE NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772792345 LJJYJTAUBOWPDE-UHFFFAOYSA-N 437.817 0.472 30 10 ICEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O 1772793346 XLOLKOQKNMBDBV-UHFFFAOYSA-N 437.451 0.873 30 10 ICEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1 1858972983 SFRUJLRPTWDQMW-UHFFFAOYSA-N 444.513 0.949 30 10 ICEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244281895 DPIVIPSYZDWBHI-CQSZACIVSA-N 429.514 0.657 30 10 ICEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2267468520 KQLPJHFUTSPDAY-GFCCVEGCSA-N 430.357 0.967 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 487435793 FGVBXADISUJTGY-RTBURBONSA-N 425.489 0.738 30 10 ICEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508879491 FTHZXYTZYVSVGF-UHFFFAOYSA-N 440.508 0.092 30 10 ICEE N#CC1(CS(=O)(=O)NCCN2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CCC1 568329350 NMYVHNWCMLUQDR-UHFFFAOYSA-N 443.595 0.241 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 747885958 LYAQGLBAMLZMHE-UHFFFAOYSA-N 440.953 0.488 30 10 ICEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cn1 768419217 ZCXRSBDVKYIZJK-AWEZNQCLSA-N 446.537 0.418 30 10 ICEE C[C@@H](C(=O)OCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)n1cnc(C#N)n1 798741851 DMZIRWGXMMUNAE-INIZCTEOSA-N 438.488 0.994 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 1194096455 IKNKNWYAMITTKR-UHFFFAOYSA-N 436.899 0.331 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1286467656 RRJQSXBJCADERU-AWEZNQCLSA-N 440.551 0.202 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286788001 OELISAXYGIBOMQ-SFHVURJKSA-N 447.584 0.812 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1300362867 ARUPDSHIIIMBJI-LSDHHAIUSA-N 426.543 0.115 30 10 ICEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300422612 UOZRZQZUUOTQIG-MRXNPFEDSA-N 438.488 0.426 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300488223 PQHJAHXCGVLKNI-OXFYSEKESA-N 431.518 0.507 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CC(OCC)C2)CC1 1300682654 ICIWDYDDYAFTJA-WWDZGPRUSA-N 438.598 0.849 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCc1ccco1 1301297633 ROAIGTXSOOCJLV-OAHLLOKOSA-N 438.510 0.143 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301458953 LJLJNOUEJGLKGD-LSDHHAIUSA-N 431.584 0.474 30 10 ICEE CC(C)Cc1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302981495 DSDPOBCGCKWCHF-KCQYIYACSA-N 430.509 0.999 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1360683791 GVQPXRPMTYLPPH-ZQIUZPCESA-N 429.522 0.051 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1nccn1C 1447483674 LECIVQDXIVNTFI-OTRWWLKZSA-N 446.508 0.584 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccnc(Cl)c2I)c(=O)nc1O 1453847014 XSETYIUJWQCPJG-UHFFFAOYSA-N 445.604 0.904 30 10 ICEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1460843359 ARAWSQXSDIRSQV-RDJZCZTQSA-N 447.513 0.878 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1502729927 UBYXDKGMEQEOIM-OXQOHEQNSA-N 430.465 0.568 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCOCC2)CC1 1507727410 PJPGOJKQZCYKNO-UHFFFAOYSA-N 440.552 0.177 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508073598 YWMRSZKUJDBDCI-INIZCTEOSA-N 445.568 0.947 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508094083 FZEQFBAJCIUEKC-UHFFFAOYSA-N 442.524 0.590 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1510217526 HOHZXXJRBJVLDJ-WMLDXEAASA-N 445.549 0.939 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCN2CCCS2(=O)=O)c1 1521082428 GNTCCCGRSXMDFH-UHFFFAOYSA-N 434.547 0.421 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1539267169 XCRABRKIYZUJRY-MRXNPFEDSA-N 430.509 0.748 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539446139 RUJAQSYATHTGBJ-IBGZPJMESA-N 443.596 0.874 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539454624 VOVFNJPLLFAJAJ-INIZCTEOSA-N 442.549 0.377 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCn2cnc3c(N)ncnc32)c1 1570455270 UOJHHUKYCFSJBO-UHFFFAOYSA-N 427.490 0.482 30 10 ICEE COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1619584922 BCDXYNGTSYNLSO-GDBMZVCRSA-N 426.543 0.633 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 1632960171 CARVJPJYSOQWET-QGZVFWFLSA-N 427.571 0.066 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OCc3ccncc3)cc2)CC1 1632966805 ZBZOGDLRKSSSMR-UHFFFAOYSA-N 428.514 0.815 30 10 ICEE C#CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1635160364 KWDUWTRFZYONJU-IBGZPJMESA-N 435.546 0.930 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)c(=O)nc1O 1653763049 NOIVFGZLSVDTDU-AWEZNQCLSA-N 445.229 0.748 30 10 ICEE N#C[C@]12CN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C[C@H]1CS(=O)(=O)C2 1660452936 UUKKJIWREISKDD-HXPMCKFVSA-N 436.559 0.925 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 1671159472 VQJBMYMDUCCLOK-UHFFFAOYSA-N 431.923 0.243 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCN(C)C)CC1 1690128950 MNIMGZBCTBJOLB-UHFFFAOYSA-N 436.564 0.850 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1690668937 OMJVXXIAOQXRCU-UHFFFAOYSA-N 448.531 0.872 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705564791 CQELIEGXBOEGOH-GJZGRUSLSA-N 448.936 0.953 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1705590738 VEOGBLRTPKBAJQ-QFIPXVFZSA-N 439.520 0.935 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705907295 HKUYWJNMXRKLDW-UHFFFAOYSA-N 448.549 0.283 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1706057804 QUFFRIDGFVSOJX-UHFFFAOYSA-N 432.488 0.999 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](F)COC)CC1 1722440234 BBLLLGBTPYTFDX-INIZCTEOSA-N 443.483 0.876 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722691817 AGOWNSJZSRDSMR-INIZCTEOSA-N 426.525 0.934 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740622852 JSFWMOXVGZZBBM-FUHIMQAGSA-N 440.566 0.934 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740782821 RXSQDUPIOWALSJ-DLBZAZTESA-N 440.570 0.540 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)C1 1740972629 KPHIDSZEKIOTFR-IIDMSEBBSA-N 429.543 0.475 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749670008 NIAFXGGXDKUTIV-SFHVURJKSA-N 441.511 0.993 30 10 ICEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749756397 XZKALQZEODSJKT-MRXNPFEDSA-N 436.582 0.874 30 10 ICEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749809128 DBALNRMRZATCOW-LPHOPBHVSA-N 438.529 0.881 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760518076 IARRZACQYPAJOE-MRXNPFEDSA-N 425.493 0.812 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1764188273 SECGALLKNLTWRJ-IIBYNOLFSA-N 429.525 0.936 30 10 ICEE CCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764815058 IHWFNSDINBQGKW-QBNCKDSPSA-N 429.525 0.525 30 10 ICEE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772789705 DONFMYNGKMSTFI-DVOMOZLQSA-N 434.470 0.851 30 10 ICEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(CCO)CC1 1870502379 HXDLUHZLLZCGRH-UHFFFAOYSA-N 433.534 0.618 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2247951517 JQFDYZVGQTZCKX-UHFFFAOYSA-N 443.335 0.012 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@H]1CCCO1 477440326 SKAXYKGGMWWZNA-MRXNPFEDSA-N 442.541 0.912 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 524496244 KPRQPDFAIOKHAW-NRFANRHFSA-N 429.565 0.998 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 552688455 IZVUDAWGYNJHPC-XJKSGUPXSA-N 428.536 0.107 30 10 ICEE C=CCNC(=O)CN1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 565527333 HBJFAKKBCTVOHC-UHFFFAOYSA-N 433.310 0.814 30 10 ICEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)CC1 585355778 NZNNTALFRZFXHU-UHFFFAOYSA-N 431.474 0.881 30 10 ICEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1 593279050 HZIWRWVMPIJQTC-UHFFFAOYSA-N 441.509 0.293 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 603797906 VZHBHMLGFVRDRD-UHFFFAOYSA-N 432.571 0.331 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 603801205 ZUQFUSMUKAKVRH-INIZCTEOSA-N 440.481 0.779 30 10 ICEE CC(C)(C)n1cc(C(=O)C(=O)NCC#CCNC(=O)C(=O)c2cnn(C(C)(C)C)c2)cn1 681338437 CGRRICDPRJCDNN-UHFFFAOYSA-N 440.504 0.891 30 10 ICEE CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccoc2)c1=O 727414919 DTBHTRWAVYQQRE-UHFFFAOYSA-N 430.530 0.110 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@@H]1CCS(=O)(=O)C1 729332780 XKBDFOJUTTWLON-JKSUJKDBSA-N 443.547 0.341 30 10 ICEE COc1ccc(Br)cc1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 744131100 SMWOJPOOBRZNPT-CYBMUJFWSA-N 429.292 0.966 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCN3CCOCC3)c2=O)c1 781653406 KERBZSWXCYPQEQ-UHFFFAOYSA-N 440.569 0.843 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(S(=O)(=O)N2CCCC2)cn1 814800233 OGMLZNFZMNRZCT-UHFFFAOYSA-N 427.512 0.163 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 918818617 VZFWSSPIVBLQQW-HZPDHXFCSA-N 435.502 0.828 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N 1129627746 IZRJNTNQUCLYFB-INIZCTEOSA-N 447.536 0.961 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286396763 WJUVGKUPLAFRDD-QZTJIDSGSA-N 437.566 0.131 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1286540425 AZCCRNWVNJPZLT-CYBMUJFWSA-N 432.344 0.757 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286592752 UGEHLBDIDFGKJM-HZPDHXFCSA-N 443.595 0.761 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1300806609 ZOZMXDVTYWGVNE-FRQCXROJSA-N 439.538 0.019 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1316532851 WYPYYBTWDWIMET-RHSMWYFYSA-N 439.473 0.679 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1359018034 ATZDQNLSIIWCIM-UHFFFAOYSA-N 441.492 0.260 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359302761 SJZILYOTSZZGJK-HNNXBMFYSA-N 430.538 0.492 30 10 ICEE COCC(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504538079 IFWBJGZLXNCASD-ZZEZOPTASA-N 445.524 0.659 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1509822922 IVDXKOMWDBTFEZ-RBUKOAKNSA-N 440.570 0.998 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cnnn1 1539304919 JQFIDNPCWQIZRO-UHFFFAOYSA-N 438.517 0.888 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1540871148 FSBZJSBILPXGJU-GOEBONIOSA-N 448.549 0.929 30 10 ICEE CCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546518629 JBFJFZKIFDUNCE-UNEBPCJRSA-N 443.552 0.916 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)CC1 1588199180 IIIPISMHLLOYRS-UHFFFAOYSA-N 443.501 0.963 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C1 1595723684 ZRDJNQVWGSMNLX-GPMSIDNRSA-N 426.539 0.767 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)ccc1F 1607280089 UXNNLPHNBGKQAL-BETUJISGSA-N 428.438 0.324 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1614079314 GUVWJULGJFKXDB-QZTJIDSGSA-N 426.477 0.859 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1620177177 VPRUSPYVEAMDPM-JWTNVVGKSA-N 430.534 0.963 30 10 ICEE COc1ccc(Cn2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cn2)cc1OC 1636512858 UAWRUPRDPBYSAN-OXJNMPFZSA-N 430.486 0.959 30 10 ICEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCN(O)C3=O)c2)CC1 1641524577 JLCNAICYEXIZEP-INIZCTEOSA-N 444.941 0.776 30 10 ICEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1643595506 CEDJRBGFZPCYLH-QGZVFWFLSA-N 435.546 0.882 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 1646096151 RKMNZKAONHGBKI-HZPDHXFCSA-N 444.517 0.522 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689848854 CLIJKUXIZNLLRV-HOCLYGCPSA-N 430.534 0.986 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1689980346 QCULMWCLNCUZRH-AEFFLSMTSA-N 433.509 0.697 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690129265 SQJLXAZUXLTDRT-LJQANCHMSA-N 428.562 0.986 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCCOC)C1 1690669924 SJNRNAOHIUDTPI-OAHLLOKOSA-N 446.508 0.940 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@H]1CC 1690720720 QVCWHTOSBBDBGQ-OAHLLOKOSA-N 447.517 0.989 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1698313021 DQTWUGYAFXSMPX-SFHVURJKSA-N 446.533 0.750 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1698486259 IQALULPCWRSGJZ-RHSMWYFYSA-N 444.558 0.950 30 10 ICEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705724672 GMGGVCUJECVFLN-UHFFFAOYSA-N 443.508 0.755 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705900925 ULCGPRFFYJEWGH-HZPDHXFCSA-N 442.524 0.405 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908595 DYHZMNTUWFONPZ-LEWJYISDSA-N 448.524 0.652 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705936714 XASCCHJIUDGFMM-GJZGRUSLSA-N 447.583 0.058 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1709902198 GCYSHLKFHVLENY-UHFFFAOYSA-N 431.522 0.377 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722364642 ISWJSJVVTSNPGG-HGHGUNKESA-N 445.545 0.431 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(C)c2)n1 1722428857 CDYXKBZUUUUBBK-GOSISDBHSA-N 437.508 0.494 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1722467534 TYSQMESAXBCMKJ-JSNMRZPZSA-N 434.566 0.891 30 10 ICEE CC(C)(C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722909646 MDCOLAGFIGQTOE-ISLYRVAYSA-N 427.509 0.913 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1731002776 IOMGUSQJCQRPQU-YWMAMYRUSA-N 434.522 0.380 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1740637337 YTOBORHZBTWUMG-MRXNPFEDSA-N 430.534 0.972 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1748847961 ZMGYAJCVXDGBCX-MOPGFXCFSA-N 433.578 0.754 30 10 ICEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749448048 SOZHRVWDCOBKJI-QGZVFWFLSA-N 440.504 0.693 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1749670549 TUFUHLDDMKKBQG-KRWDZBQOSA-N 431.541 0.080 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)[C@H](C)CCC)CC1 1760252240 OAUVKTRRAMYLJN-GOSISDBHSA-N 429.569 0.822 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1761292330 YLTURWZQWYIUIU-AVRDEDQJSA-N 445.568 0.974 30 10 ICEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1O 1770222110 AKHKZPKRSBHKCC-LSDHHAIUSA-N 433.490 0.671 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CCSC2)cc1 1771533893 CYEWBPIYQGUASC-LJQANCHMSA-N 449.558 0.832 30 10 ICEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCN(C)CC3)ncnc21 1873593842 ISQZGFDKEFFBLU-UHFFFAOYSA-N 427.553 0.821 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624050 VMCYMQUDMQHKTO-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881598 IYKJNQRHWVXJLR-KBPBESRZSA-N 448.329 0.876 30 10 ICEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCS(=O)(=O)C(F)F)OC1(C)C 2282334883 HUMFLIUYTXOCEB-UHFFFAOYSA-N 431.313 0.963 30 10 ICEE C=CCN1C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C(=O)NC1=S 2297471394 OVRNIVRDIZVVTQ-AWEZNQCLSA-N 444.513 0.856 30 10 ICEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464727389 CCSKXBISTYLYNE-KRWDZBQOSA-N 434.518 0.276 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 501494501 KEKYNQGYPRAQQV-LJQANCHMSA-N 433.597 0.403 30 10 ICEE CCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513764392 NHCRZWSSZVESFZ-UHFFFAOYSA-N 433.472 0.424 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 514835540 IQPUQHOXRUSYMV-UHFFFAOYSA-N 441.557 0.056 30 10 ICEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 729332419 YODIJERBZOKNFP-MRXNPFEDSA-N 430.523 0.875 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C2CCOCC2)C1=O 747437383 PZKHFMPPPWAEMH-INIZCTEOSA-N 434.518 0.401 30 10 ICEE O=C1CN(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)CCN1 781104430 UKLDHAVKRHQAHO-INIZCTEOSA-N 433.509 0.858 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(Cl)c1 797642620 IJTQPIJAEJXIQS-UHFFFAOYSA-N 430.917 0.931 30 10 ICEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 802469779 QEXJZFGZRPQDEC-UHFFFAOYSA-N 439.520 0.444 30 10 ICEE C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1)[C@H]1CCCO1 809308297 HCRJBFBDBOGJDV-OTWHNJEPSA-N 447.919 0.995 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 1227845606 NFYOIHZXXPWUII-OAHLLOKOSA-N 439.925 0.240 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1286376039 DIKVCKYTLYIDQY-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1286558061 ZNZMTZIKIUQLHJ-JYJNAYRXSA-N 428.580 0.730 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(N)=O)C1 1286783914 PYVOLOBRASKOBY-HNNXBMFYSA-N 426.477 0.720 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286790283 MJGKOGOVJQNUEK-QGZVFWFLSA-N 431.541 0.004 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCS(=O)(=O)CC1 1290864900 DEFHMLFUIVVDJW-CQSZACIVSA-N 430.538 0.788 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1300309294 GPDNVYMINLGXLV-HUUCEWRRSA-N 440.570 0.374 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1301515236 SELVPHMBRNLGET-OAHLLOKOSA-N 428.493 0.835 30 10 ICEE C[C@H](O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1303889370 CYTQILDXPXDBTR-JKIFEVAISA-N 434.522 0.719 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1305113950 AOCFYZMTLKGQLR-HNNXBMFYSA-N 443.533 0.519 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(N)=O)cc1 1316297210 HVVPUZXQDLGESS-KSZLIROESA-N 426.477 0.878 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1358979773 XKSRRYSEOWDEJK-QGZVFWFLSA-N 440.508 0.951 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)CC1 1359034538 UUULLXWXDWWHMF-UHFFFAOYSA-N 434.522 0.196 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1359089325 GQXGMLOSJIHDAL-HZPDHXFCSA-N 440.570 0.479 30 10 ICEE CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1468172203 COVODIPEEFLMEP-HIFRSBDPSA-N 444.579 0.584 30 10 ICEE CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499637297 ATQRDQQDFYCLKZ-UHHPSXQGSA-N 443.508 0.656 30 10 ICEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1504825399 ZVAJCPVKPMJRMV-MRXNPFEDSA-N 434.522 0.961 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1507632374 KMAJUZOSHQBHRJ-MSOLQXFVSA-N 445.545 0.464 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1540873109 NCYIVIHNHJDMHL-UHFFFAOYSA-N 444.565 0.930 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1555558818 GBCNZBVCSWZXRW-LJQANCHMSA-N 434.522 0.180 30 10 ICEE C#C[C@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1583611735 FPQZUWCFINJBMC-AWEZNQCLSA-N 443.319 0.944 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(C#N)CCOCC3)CC2)cc1 1583891916 MOMSGEPROGGBCZ-UHFFFAOYSA-N 436.534 0.584 30 10 ICEE COc1ccc([C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N2CCOCC2)cc1 1587592214 GXVANHBSCCZQIG-SFHVURJKSA-N 427.461 0.409 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1588185193 CSMDNBGEBRSDTE-JOCHJYFZSA-N 429.521 0.642 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1588219103 LGNLHAYJSSHLBD-UHFFFAOYSA-N 427.472 0.832 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588930191 PHYZJCLPXOWXBM-AQOAWAETSA-N 431.537 0.678 30 10 ICEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1617278976 INGYHFPBLPTRTK-DOXHGZAWSA-N 436.538 0.941 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1=O 1618020849 CSVSONYPUKKQQY-GJZGRUSLSA-N 429.539 0.656 30 10 ICEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1637390689 WZOQZQAJUKEHAD-OAHLLOKOSA-N 443.547 0.979 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]12 1643861697 OMQNHYZJOYJHIU-CUSZFKRNSA-N 438.575 0.201 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)CC1 1644285625 SVAFKJDGNMQUMQ-UHFFFAOYSA-N 441.513 0.488 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CC1 1657806386 UEGAWCMPHSEJFD-HNNXBMFYSA-N 440.595 0.992 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 1667183158 MBECUNKGJGXFPY-UHFFFAOYSA-N 445.339 0.623 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689875619 XNQUTSRGWACXMR-MAUKXSAKSA-N 443.595 0.707 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1690484769 DAKUICXOFAQOIN-HNNXBMFYSA-N 428.559 0.538 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690669808 POLMADSBLOEPDI-INIZCTEOSA-N 439.524 0.265 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1693920232 ZCIZFBNOZOWSFJ-IWHJNQCMSA-N 445.549 0.869 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1705577113 UVKQVPYIDOPKGN-UHFFFAOYSA-N 434.543 0.856 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCSC2)CC1 1705647672 KTPPIGTVCFAFEF-FOIQADDNSA-N 432.550 0.063 30 10 ICEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705733168 OGMZLNCKRAFGQE-UHFFFAOYSA-N 437.508 0.873 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705929917 AKOHRHMIEHDXJU-OAHLLOKOSA-N 435.554 0.979 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722683035 ZYDCVVBEJJADEO-KGLIPLIRSA-N 432.572 0.079 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1722700333 FOLBQPIOUFSXNS-INIZCTEOSA-N 425.493 0.394 30 10 ICEE C#CCCCCn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740574723 IDWUFFVLYMAGIY-UHFFFAOYSA-N 426.525 0.816 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740726418 ZLWFCQSMECSPPJ-AQNXPRMDSA-N 438.550 0.472 30 10 ICEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740795971 JOMOXXSTPBGENF-UHFFFAOYSA-N 437.570 0.814 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1748672060 PWYMVYFFCWGIII-SQNIBIBYSA-N 438.598 0.801 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1748791285 RDSIUMDTTBULIL-HNNXBMFYSA-N 438.579 0.996 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2)CC1 1748972040 AJHTVQZPUHJDCK-INIZCTEOSA-N 432.550 0.700 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CC1 1748994074 AGCLAFAIGYGVKN-UHFFFAOYSA-N 444.561 0.566 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189163 RUVXAXIBDUGBSS-AEFFLSMTSA-N 443.529 0.804 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1760193900 VGXXKNZYVVXQQW-MRXNPFEDSA-N 426.502 0.823 30 10 ICEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C2)C1 1856871801 DSQVEVHHNZXKEM-SFHVURJKSA-N 434.562 0.872 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255849119 KTUHXQZZAPKLDS-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267546614 ZENYDBLYBHAOCV-GHMZBOCLSA-N 445.251 0.643 30 10 ICEE C#CC(C)(C)N1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286006960 AUWWPLZIWLGZFN-KRWDZBQOSA-N 437.518 0.725 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@H]3CCCCN3C(=O)[C@@H](O)CO)nc2)OC1(C)C 204890584 LGIAVBOXKMVEHP-CVEARBPZSA-N 437.371 0.992 30 10 ICEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 435142716 XONAAYAGDWALNB-HNNXBMFYSA-N 428.511 0.288 30 10 ICEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 440757157 HMDBCBVPYBBYHE-UHFFFAOYSA-N 427.465 0.293 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CC2(C#N)CCC2)CC1 477601297 WOXIWZULXWUEMU-UHFFFAOYSA-N 426.564 0.736 30 10 ICEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 490156490 JCHXJZJHCITZOL-UHFFFAOYSA-N 447.542 0.905 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 564378889 KGVVBAZMODETRI-GOSISDBHSA-N 430.461 0.893 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 608274161 SHAZXWKCCBSDKQ-UHFFFAOYSA-N 428.537 0.526 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ccn1 795971235 IOWROOZBBDSIHV-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE C[C@H](CC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 803419517 ADVBTCJQDHVETJ-ZIAGYGMSSA-N 442.563 0.386 30 10 ICEE CN(C)c1ccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1 1084294041 IZMRYFOFUPNRCO-UHFFFAOYSA-N 440.493 0.742 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1125953597 ILAPOCHAHSWVBO-CQSZACIVSA-N 432.545 0.365 30 10 ICEE CNC(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1142206543 BKGDWVALBOLUIX-UHFFFAOYSA-N 433.534 0.879 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1286409585 RPWPOSFENRITJK-UHFFFAOYSA-N 445.527 0.987 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1286522906 PUEXYTOYQPIDMY-RHSMWYFYSA-N 426.564 0.750 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1299133041 DDBSPWQRYLJYOA-JXFKEZNVSA-N 428.518 0.636 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300363274 CYZCGRMOWYHZKE-QGZVFWFLSA-N 448.593 0.384 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300666423 YRXTYRDYRSWALP-IAGOWNOFSA-N 425.555 0.540 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301040627 HNCUSNRXJABMTG-QGZVFWFLSA-N 438.960 0.905 30 10 ICEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315149765 GCOLJDMLVASPGI-CABCVRRESA-N 448.553 0.516 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1358994406 MTVJRIRIMSKSKM-LJQANCHMSA-N 442.545 0.826 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1359303939 GEXAGLLYHAQYKO-UHFFFAOYSA-N 444.565 0.794 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)CCOC1 1360347244 FLQQHAJMVOEIFG-OXQOHEQNSA-N 434.497 0.890 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1443254808 KVJJNBYUJRCDKH-CHWSQXEVSA-N 437.946 0.784 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](Cc4nn[nH]n4)C3)CC2)cc1 1455745292 RFAQCKTTYNLRJS-MRXNPFEDSA-N 443.533 0.953 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507956960 APLKBBTXHMGXDE-SOUVJXGZSA-N 426.543 0.196 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 1513922441 ATRJORZIOZAZAO-OAHLLOKOSA-N 439.524 0.499 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)ccc1F 1556960375 ONKZZXWXUAYDEE-ZBFHGGJFSA-N 432.495 0.318 30 10 ICEE C#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1558423699 WSCVNRNDVCXQCX-KRWDZBQOSA-N 431.514 0.838 30 10 ICEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1565728732 DBYAHCOOZZXGCM-INIZCTEOSA-N 439.472 0.657 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588075162 ZMVIVVWRXBBZOQ-DOTOQJQBSA-N 444.517 0.299 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1628662442 LZJZGNBKKLBGCW-ZDUSSCGKSA-N 445.277 0.956 30 10 ICEE C=CCOC[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1634058482 FEPNDFCEYVZYDU-LSDHHAIUSA-N 427.498 0.753 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1636468616 AOSXVBBGRJZODF-UHFFFAOYSA-N 441.531 0.812 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)CC1 1644633418 XLEZHAFNPTVWHU-FQEVSTJZSA-N 439.626 0.959 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)CC1 1671104732 VXGTYZJJZYTPQI-GFCCVEGCSA-N 441.535 0.038 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1690015318 IGWOIEYBMLLECQ-UHFFFAOYSA-N 430.490 0.114 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(=O)(=O)CC 1694739399 PLCJRSXPIHJKFW-UHFFFAOYSA-N 432.554 0.763 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1705629175 YTTFOLCUBFCIAM-SJORKVTESA-N 441.554 0.124 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1705667650 YYTQAOKPAYXGMP-XHDPSFHLSA-N 436.460 0.559 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1705697791 NUWHQARRMCNIPV-YCPHGPKFSA-N 426.543 0.196 30 10 ICEE COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1711488271 ANOIMWBMDKISAU-HNNXBMFYSA-N 426.543 0.776 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362925 XBDRAGRIJZHUOC-ROUUACIJSA-N 431.566 0.646 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722433558 ZYQVOUBGGJBXQQ-JPYJTQIMSA-N 444.580 0.989 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1740624047 DERYLFOTDKKZHC-INIZCTEOSA-N 428.518 0.400 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1740657091 PFWVWYXHEGEQJT-FQEVSTJZSA-N 446.621 0.671 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1740684329 NLEHQSAEMLVOAG-GOSISDBHSA-N 439.520 0.595 30 10 ICEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1740899573 DKKGATZLAKDEEF-AWEZNQCLSA-N 444.558 0.758 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740959280 QARYGVOZBDQQQB-HNNXBMFYSA-N 433.538 0.421 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1748977720 AMFZSDQFOXANLY-URAOTHONSA-N 435.594 0.987 30 10 ICEE C=C(Cl)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749284206 HMHXYGGPYUYECF-IFXJQAMLSA-N 438.916 0.218 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749713868 ZUQYBQHMXMCHLT-HZPDHXFCSA-N 426.539 0.503 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1760173714 AZWAJSQEMPMOJW-MSOLQXFVSA-N 438.598 0.801 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760174261 FKMAKCDGEUMKRM-KGLIPLIRSA-N 435.472 0.513 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1760182063 BFGLZRANBZZDHF-MRXNPFEDSA-N 441.517 0.757 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760186615 DXJZIWKNMCGUSI-KGLIPLIRSA-N 434.547 0.669 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1760193053 RYFCNZLOLQFVCK-UHFFFAOYSA-N 442.564 0.759 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1760193104 SYOULCAIWWQKLQ-UHFFFAOYSA-N 428.518 0.446 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1760234095 TWYGVEBPCCXLSQ-MSOLQXFVSA-N 438.598 0.802 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760529047 VNDFDOROJHLJFA-BFYDXBDKSA-N 431.541 0.713 30 10 ICEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867613703 TWAYPLBVUKBUTI-QZTJIDSGSA-N 430.486 0.838 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](O)C1 2255633119 WRPFTWBBUVWJDP-JSGCOSHPSA-N 436.318 0.667 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nnc(CNC(=O)OC(C)(C)C)o1 2267599463 PSCDBODPOQWZLQ-UHFFFAOYSA-N 449.277 0.774 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268714258 ICSCLBCDCBSFJH-IMJJTQAJSA-N 449.313 0.660 30 10 ICEE Cc1c(C=C2SC(=S)N(C)C2=O)c(N2CCN(CCO)CC2)n(C)c(=O)c1C#N 2314435723 DFDHETHVVFEKQZ-UHFFFAOYSA-N 433.559 0.511 30 10 ICEE Cn1c(=O)c2c(nc(N/N=C(\CCC(=O)O)C(=O)O)n2CCc2ccccc2)n(C)c1=O 104181727 YFYQJHXTBVAPCS-LPYMAVHISA-N 442.432 0.394 30 10 ICEE C#CCNC(=O)COc1c(Br)cc(S(N)(=O)=O)cc1Br 215907136 PJDUFVRZTFXFLY-UHFFFAOYSA-N 426.086 0.987 30 10 ICEE C=C(C(=O)OC)[C@@H]1[C@H](OC(=O)/C(C)=C\COC(C)=O)C[C@]2(C)[C@H](O)CCC(=O)[C@H]2[C@@H]1O 252463725 WTHXAFPDZHTOOX-WOPQYMTNSA-N 438.473 0.864 30 10 ICEE biogenic C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 509010234 HVWKGLBQUGKIPV-RVKKMQEKSA-N 427.527 0.181 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C[C@@H]1CCCO1 544724923 FJXQEYYHRKXSIR-ZDUSSCGKSA-N 443.481 0.075 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 555268918 KGCFCPACEALNMB-INIZCTEOSA-N 438.510 0.582 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C[C@@H]1CCCO1 590915561 AZTGJVNJVQHHGC-LBPRGKRZSA-N 447.900 0.720 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 604159096 JWOQJGMXMNOJQG-OAQYLSRUSA-N 445.564 0.698 30 10 ICEE C#CCN(CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C)[C@H]1CCS(=O)(=O)C1 731213675 NDSPZJUQTLTFIO-LPHOPBHVSA-N 431.514 0.932 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1 745407607 YFVBADFUEPHZRT-UHFFFAOYSA-N 433.511 0.709 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746210530 SQOUMPWGBQEQCG-VXPUYCOJSA-N 447.517 0.160 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759332926 IYJUWPKUJMAXPR-LSDHHAIUSA-N 427.523 0.989 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 767626769 ITCUVQQCFUIJEJ-CZUORRHYSA-N 431.474 0.616 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OC)c2ccc(OC)cc2OC)C1=O 1127239936 VQTQKYBKSYQAHV-CQSZACIVSA-N 433.417 0.401 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 1194097836 ROSZFSKHAUZQMP-UHFFFAOYSA-N 441.453 0.402 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@H](CC(N)=O)C1)CCCC2 1196640159 UESVXCRQTNXMPI-JKSUJKDBSA-N 429.521 0.932 30 10 ICEE Cc1cccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCOCC2)c1 1211236089 CBHCVGVYURHLTK-SFHVURJKSA-N 426.477 0.502 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1280455501 DEYRTVMGUPUNRJ-JTQLQIEISA-N 436.387 0.877 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286389934 TVPCHYSGHPNKDH-DLBZAZTESA-N 434.522 0.111 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1286409632 SAEBJNITSSKWDG-UHFFFAOYSA-N 438.513 0.700 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286786613 VNXKVUQFGZAPHV-HZPDHXFCSA-N 431.541 0.664 30 10 ICEE C#CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1291929975 WQQWNFZJLMOZFQ-HUUCEWRRSA-N 448.563 0.060 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)CC1 1300683510 OXDSNLIGARFGDE-IRXDYDNUSA-N 446.581 0.418 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCOC2)CC1 1300684832 ASNXHVZOTBADOX-SFHVURJKSA-N 435.326 0.942 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCOC1 1301567848 MDPUXKQCRKYOJS-INIZCTEOSA-N 425.555 0.978 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1316359962 NLENREWAYNNSRZ-AWEZNQCLSA-N 438.485 0.664 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c1 1455572637 WKGBEJIUZKSJFJ-UHFFFAOYSA-N 441.509 0.646 30 10 ICEE COc1ccc(CN2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1460878021 FATSTMRZFRIWDD-GHTZIAJQSA-N 432.546 0.210 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)OC 1470031927 BIUKEFUPPFWOGJ-BBWFWOEESA-N 428.445 0.263 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1507746006 ITYXBOSPWYWOSB-ZFWWWQNUSA-N 428.584 0.360 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1508122936 HDKAILCIUFMNIZ-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 1539430542 JMDSQAJPPFYGQY-CQSZACIVSA-N 448.578 0.401 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(CC(=O)NCC)CC2)s1 1540532947 GOXHZFAGWAURTQ-UHFFFAOYSA-N 428.580 0.425 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1545051456 MRPPBXHLOLBZIK-ORIGZDJFSA-N 429.481 0.152 30 10 ICEE CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546540113 FKVHOBVZEUQVLM-JVMRMLDLSA-N 429.525 0.525 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588059872 WTXAXFIIFUYKQM-INIZCTEOSA-N 443.595 0.139 30 10 ICEE CCN1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1615830238 DNIXLKWXGGAMEA-LZICOFPGSA-N 443.508 0.367 30 10 ICEE C#C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1622179851 BOLORCMBZVYFOB-AWEZNQCLSA-N 436.353 0.535 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC(O)(CC#N)C2)C1 1625477669 HTAFMXGNLNXHLJ-FQEVSTJZSA-N 425.482 0.821 30 10 ICEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1634656809 YSPLCTRRPVVXDC-MPGHIAIKSA-N 440.547 0.323 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1641541186 RCVLNQNBGQRWKK-CVEARBPZSA-N 425.507 0.861 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CC1 1644281673 IWFWGTAFSUFSJR-UHFFFAOYSA-N 434.497 0.755 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 1656642173 NMOYHKCTGIMOJC-UHFFFAOYSA-N 429.564 0.901 30 10 ICEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1685124921 DGYDQDHKUSTDSG-FUHWJXTLSA-N 440.547 0.158 30 10 ICEE Cn1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1696886369 GEDSTMLPHXGXIW-GOSISDBHSA-N 444.862 0.875 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCN(C(C)=O)CC2)CC1 1705649961 JQMYQYCGLHFZMQ-UHFFFAOYSA-N 443.596 0.607 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705930312 KRSWONZBIFYESB-CQSZACIVSA-N 447.521 0.193 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1722320353 XFLYWDLRBQAVQS-HNNXBMFYSA-N 428.580 0.997 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCS(C)(=O)=O 1726642468 ICBIZHHVIHTUCL-AWEZNQCLSA-N 430.538 0.967 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1728519027 BWAXVVZXPULDHB-FQEVSTJZSA-N 432.550 0.754 30 10 ICEE CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729228584 NCMLBWXIUGQFKW-SSEXGKCCSA-N 431.522 0.720 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1748892589 SFMCSXWSGSDJDK-GOSISDBHSA-N 431.562 0.508 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1748928881 AGYOWPKMBLFKJN-RXVVDRJESA-N 447.561 0.978 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749682867 BLTUTASZZWIHQG-WDYCEAGBSA-N 429.525 0.481 30 10 ICEE CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1770640712 HJQTUJIUVCZYCX-LMCNMRDDSA-N 443.508 0.617 30 10 ICEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)[C@@H]1CCN(C)C1=O 1849008771 RRZHWWZGZHRKBL-QWHCGFSZSA-N 426.461 0.340 30 10 ICEE CC1(C)OB(c2cccnc2N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)OC1(C)C 2232319537 DGXABLLRPODUOL-RYUDHWBXSA-N 442.247 0.740 30 10 ICEE O=C(N[C@@H](CS(=O)(=O)N1CC[C@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270523644 ZSKNXKZPUSWYMG-LSDHHAIUSA-N 440.499 0.970 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884010 IWTBWIUCROVUGT-ZDUSSCGKSA-N 427.332 0.554 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2320980213 UWAZXQPFYBTDGN-UHFFFAOYSA-N 437.302 0.567 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 589160318 GYFJRDHWMVWYBK-AWEZNQCLSA-N 433.555 0.577 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672219 CICWVVZBOLGHNM-UHFFFAOYSA-N 445.508 0.545 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CCN1C1CC1 748983013 ZWDBUFYPTIGWBG-KRWDZBQOSA-N 441.488 0.061 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@H](O)c3ccc(C#N)cc3)ncnc1-2 780933100 ZDOKGBPHKPPAOY-CYBMUJFWSA-N 430.266 0.633 30 10 ICEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1180421106 WBUHVRZGBPMHSY-NDEPHWFRSA-N 441.579 0.650 30 10 ICEE C#CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1197769899 PHYYZINDIXZNFP-UHFFFAOYSA-N 430.509 0.795 30 10 ICEE C=CC(C)(C)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 1297820915 NSFBPKJYWXTRHD-CQSZACIVSA-N 425.507 0.699 30 10 ICEE CS(=O)(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1300762699 DQLOYKFYJAXSSF-CHWSQXEVSA-N 439.437 0.270 30 10 ICEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1301296812 KAFKCGYFDBCRJK-HNNXBMFYSA-N 439.563 0.693 30 10 ICEE CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1303335717 ZWCWTUFGVWYLPZ-QGZVFWFLSA-N 428.493 0.680 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358955079 DJYGMXIMZPPMIE-FUHWJXTLSA-N 448.593 0.624 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1358978907 XUAGYUSYNVJYLS-IAGOWNOFSA-N 437.566 0.745 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359304366 WRGWQGKWOGBXNQ-IBGZPJMESA-N 442.568 0.743 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)CC1 1467050044 ILJUOYVJBKRHEA-UHFFFAOYSA-N 443.551 0.090 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539094178 MKDFQORMPCBASI-MSOLQXFVSA-N 437.614 0.518 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2noc(CC)n2)CC1 1539432126 YEOPNWFEMVBXDH-OAQYLSRUSA-N 429.525 0.874 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540035692 HDRAKYYZPFIFTC-IAGOWNOFSA-N 425.555 0.878 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541160932 UISUGDBSTDONHM-ZGTROFRASA-N 428.497 0.316 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588045690 OTXRFMJIZSYEHZ-GQIGUUNPSA-N 431.518 0.507 30 10 ICEE C=C(C)COCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1593769319 MNVKPDHPJSIRSF-UTKZUKDTSA-N 437.541 0.863 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1595477404 UMDIGWUWSTUKTI-KGLIPLIRSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595556060 MSCHQVUGNDWAPA-KRWDZBQOSA-N 446.577 0.950 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 1642409659 FXNPGVYMYQPWDZ-MRXNPFEDSA-N 437.518 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(F)ccc2Br)CC1 1666965395 ZJLULDCYXREMMF-UHFFFAOYSA-N 433.303 0.883 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1 1668145078 JZGSBWOPPBXWTE-KRWDZBQOSA-N 435.550 0.316 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2)cc1 1686893290 MPAOJWWXVWMSPF-MRXNPFEDSA-N 433.490 0.557 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1690313282 PKMQROWDIPZVPL-MRXNPFEDSA-N 425.555 0.865 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1690662943 GRHJSWILNHBQDL-HNNXBMFYSA-N 447.517 0.650 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1690668743 HRPFFGLNZQZBJQ-UHFFFAOYSA-N 447.565 0.749 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690723195 KYTLYSPAIYJSJH-RDJZCZTQSA-N 447.565 0.633 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1705477516 PALBCAUGYNERAG-GJZGRUSLSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705566946 RZVDOFHXKGKZBB-WMZOPIPTSA-N 447.565 0.026 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1705599066 UYFVBWOKBKMTGX-QYZOEREBSA-N 449.577 0.889 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1705904311 LUHPQNGOWIIWDV-HZPDHXFCSA-N 441.554 0.113 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705935422 RCOCRYJMGHOCTE-HXUWFJFHSA-N 430.534 0.724 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(OC)CCOC1 1712562000 NGSNHVPEBFAVOL-BLIXFSHQSA-N 434.541 0.984 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1722365517 FFRNXXHXLFZQGR-DOTOQJQBSA-N 435.550 0.468 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC 1740640587 QNLVDVLZDPVZGZ-UWVAXJGDSA-N 437.566 0.481 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740716696 WZFHDGGMYOOBSQ-KBPBESRZSA-N 426.568 0.114 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748812707 ZDXDIFWXANHJPA-WMZOPIPTSA-N 447.565 0.026 30 10 ICEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1749391927 VLGDLTZXRYPCRA-HNNXBMFYSA-N 448.615 0.716 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1749651076 NADACOKPSKCFLH-AWEZNQCLSA-N 427.465 0.617 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1749678171 YEBBSJCVSGGVCL-UHFFFAOYSA-N 439.476 0.919 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)OC)C1 1760543245 NWTZBQUMNGVYAJ-ARFHVFGLSA-N 429.543 0.427 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1C(C)(C)C 1760558250 KCIMSGFUVXIXGG-CQSZACIVSA-N 433.600 0.694 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCC(=O)N1 1766408400 AGTSARZDCXSZNX-HUUCEWRRSA-N 425.497 0.470 30 10 ICEE CN(C(=O)CN1CCCn2nc(C(=O)N3CCO[C@H](C#N)C3)cc2C1=O)c1ccccc1 1848504244 LJNSPWXKJLTYSL-QGZVFWFLSA-N 436.472 0.757 30 10 ICEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN([C@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1854952132 SWXKNZRRAJBBFE-MOPGFXCFSA-N 430.530 0.033 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CSC(C)(C)C(=O)N3)CC2)CC1 1890562479 HCXWTDOSQOBROI-IBGZPJMESA-N 436.622 0.645 30 10 ICEE CCn1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255651866 MFSFOJBEBHIHGU-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccncc1 21082436 GHHQSBJTIYFQGY-ZVBGSRNCSA-N 426.466 0.471 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)o1 505612905 UORSFYSTVLLLTA-KRWDZBQOSA-N 430.509 0.074 30 10 ICEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730137485 GBIOHHBVGBWXTF-KRWDZBQOSA-N 447.561 0.973 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(OC)c(C#N)c1)CC2 747496042 YLCHIONSMSMUKJ-UHFFFAOYSA-N 428.470 0.680 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)n1 790105340 FWHQGHPPAIMDLU-LJQANCHMSA-N 426.452 0.751 30 10 ICEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCOC)c1=O 794582591 PYRADHWTZIIOGN-UHFFFAOYSA-N 445.516 0.620 30 10 ICEE Cn1cc([C@@H]2[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC(=O)N2C(C)(C)C)cn1 795094199 ZQZXOPHXGYZXED-MZBCUIFASA-N 428.493 0.751 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@H]1CCS(=O)(=O)C1 797675220 FVCDGRVKKTYERC-AWEZNQCLSA-N 426.520 0.520 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)CC1 1175514677 DFKFKJDNOGRPKQ-UHFFFAOYSA-N 429.539 0.127 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)CC1 1219166445 NIDBBWNDIQNTCH-UHFFFAOYSA-N 439.538 0.253 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286776599 MAHZGVISMQUMRI-MRXNPFEDSA-N 440.570 0.463 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286824023 SOZQEFGZEPXBCW-CHWSQXEVSA-N 437.613 0.431 30 10 ICEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1299829945 KGOVSOQRQSSPJI-MRXNPFEDSA-N 447.561 0.537 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1300502730 WHVMASNNUVNEBL-JKSUJKDBSA-N 437.591 0.923 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1300780314 PIDIMVDNGIIHHR-RVKKMQEKSA-N 443.595 0.848 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301519157 NBXPRFOCKNVELR-UHFFFAOYSA-N 434.526 0.823 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1301568086 NPAZYFLQZUQNEB-UHFFFAOYSA-N 426.543 0.076 30 10 ICEE CSc1ncc(I)c(N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1307167020 PWESEJGGMNVXBV-UHFFFAOYSA-N 442.242 0.998 30 10 ICEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1316035579 SUVDKOQPHKXNTG-HNNXBMFYSA-N 448.553 0.518 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1358963752 NPZFNSIFOYQHMQ-KRWDZBQOSA-N 442.607 0.928 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359117329 UTGTWEDAKMEATJ-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359301193 UQXLINRPZZLRDD-HNNXBMFYSA-N 443.508 0.779 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1359333134 OTHKDFHTGPASMD-HZPDHXFCSA-N 446.595 0.644 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1470353857 QRPSBEVEYOTETB-UHFFFAOYSA-N 442.563 0.506 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)nc1 1471304220 NXGOYDVKXRNACX-UHFFFAOYSA-N 435.488 0.217 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)c1 1471800055 YYXDAQDMJNUYGH-HNNXBMFYSA-N 431.474 0.870 30 10 ICEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)OC 1504580391 GUYBFCGGGZRAPW-SFHVURJKSA-N 428.493 0.949 30 10 ICEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1504693285 GMFAYBPNKIMRKB-OXQOHEQNSA-N 431.518 0.839 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCOCCCO)cc1 1505319598 CDCGQHJNNMMBKF-IBGZPJMESA-N 442.520 0.649 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCSC2)CC1 1507726371 IGTPGSUFUMCACX-OAQYLSRUSA-N 431.610 0.593 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507844066 BLNHZXGEWXQQLZ-CVEARBPZSA-N 438.554 0.329 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521130408 VMFNDNWMGMFVNC-NVXWUHKLSA-N 436.451 0.947 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1540872933 GLFUEYQSJXQWRU-UHFFFAOYSA-N 427.509 0.298 30 10 ICEE C#CCN1CCN(C(=O)Cn2cnc3c(c(Br)nn3C(C)(C)C)c2=O)CC1 1559453526 ITJVPQNCDXKUHP-UHFFFAOYSA-N 435.326 0.888 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593746537 HXHUMFQLFYEFLG-GOSISDBHSA-N 446.552 0.646 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1595476586 LXKBKFXDKFNLNR-INIZCTEOSA-N 447.565 0.517 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1596360918 YXXCWVYFAIOTEA-AWEZNQCLSA-N 444.517 0.657 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCS(C)(=O)=O)CC2)c1C#N 1612472038 FFUSCFRYWWELSX-UHFFFAOYSA-N 434.570 0.761 30 10 ICEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)OC 1613640514 ASRVVSAVMZRQMY-JKIFEVAISA-N 430.506 0.478 30 10 ICEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1615625921 SUFNNGLIFXRJAW-JKSUJKDBSA-N 426.543 0.572 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3CCOC[C@]3(CO)C2)C1 1639283369 SYZIBBJGEUVTMM-LJQANCHMSA-N 435.322 0.662 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)CC1 1663954926 LIUFOUIDPWNCMV-UHFFFAOYSA-N 438.937 0.305 30 10 ICEE CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CCC[C@H](C#N)C2)cc1)S(C)(=O)=O 1685892616 FRRCOIMYYAWCSW-CQSZACIVSA-N 444.535 0.736 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690674858 IDBDIVBKHVPBGH-MRXNPFEDSA-N 426.525 0.505 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705573616 KLFGGWPSJRKIAL-HUUCEWRRSA-N 446.499 0.845 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1705598193 DDHBRFUUSCCZJA-GOSISDBHSA-N 446.508 0.656 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1705621300 BLLVVSDRSAEFQK-HZPDHXFCSA-N 435.554 0.433 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1705638308 GGXMPCOVPXUZNF-QGZVFWFLSA-N 434.548 0.897 30 10 ICEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1711566178 CSGXMMSANJWMKL-IIDMSEBBSA-N 442.517 0.478 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712173710 PNDNONLESZUEBV-GOEBONIOSA-N 445.503 0.454 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1722698163 UZSQPKOSUJFHIQ-UHFFFAOYSA-N 425.497 0.421 30 10 ICEE CS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1731006814 AAGQTYKNCMKILA-NSHDSACASA-N 429.300 0.809 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1740671823 PNYSPGZRAVOHQI-DLBZAZTESA-N 426.587 0.801 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1748929362 IIRUSHPWVBLXQO-KRWDZBQOSA-N 447.565 0.968 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1748970711 OMKOOCATCFKJDW-BZSNNMDCSA-N 440.566 0.913 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749734088 DZYWXLUFXPIKCO-QZTJIDSGSA-N 439.582 0.684 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1750209806 HTESEXOYBRRFLD-LJQANCHMSA-N 448.574 0.766 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1760206372 XVZJHKQBCSGOJS-UHFFFAOYSA-N 441.561 0.960 30 10 ICEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760568827 UKCQMVSGQZOESJ-GOSISDBHSA-N 445.611 0.931 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1761292333 YLTURWZQWYIUIU-XMSQKQJNSA-N 445.568 0.974 30 10 ICEE CN(C)C(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1766860979 BNAFIFLJPXIWMP-OAHLLOKOSA-N 432.506 0.556 30 10 ICEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1766870407 ASPNPWSFRFKADG-UHFFFAOYSA-N 445.549 0.765 30 10 ICEE O=C1CN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)CCN1 1772791113 ZDBGGSSJQRMAIA-UHFFFAOYSA-N 429.410 0.175 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)[C@H](C)C2=O)CC1=O 1855052489 RYCGMRHYGYWJFP-OLZOCXBDSA-N 441.456 0.747 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cnccn4)nn3C)CC2)CC1 1889470951 HREXLIOXGSDZLP-UHFFFAOYSA-N 437.548 0.749 30 10 ICEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)n1 2255826872 DXNVCKWNJBZFMP-KBPBESRZSA-N 436.318 0.429 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 72443846 BMTCKKDNUFXCQK-ZIAGYGMSSA-N 437.416 0.604 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)c1C#N 472273144 GHLVHXMKCDBCEY-XYJFISCASA-N 431.566 0.975 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)c1 763437116 RBCQHSWZOWVQQM-UHFFFAOYSA-N 434.521 0.658 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1168547115 WMDFGXQCQSIHMH-CVEARBPZSA-N 425.507 0.861 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1286940781 HBWMOHFDIJHXGP-UGKGYDQZSA-N 439.520 0.225 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1300495181 FDERYXQFDAIUNS-DLBZAZTESA-N 426.539 0.198 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300710105 SDUBCUFQPQAEMO-LJQANCHMSA-N 431.585 0.513 30 10 ICEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1300895568 SROZDMDYKIJJIJ-LJQANCHMSA-N 434.522 0.877 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC1 1310442138 MXNYQYSXRUIWKE-UHFFFAOYSA-N 448.505 0.282 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315816915 HEMBHJPSHZVNQK-HOTGVXAUSA-N 444.533 0.726 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC(=O)N2)c1 1358900490 LTRKMKKYHMVJEZ-QGZVFWFLSA-N 437.504 0.751 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1359292721 WLBHEJIKDBBVMH-UHFFFAOYSA-N 447.503 0.949 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1360248996 ZDBDELMHWFYVGC-WBVHZDCISA-N 427.513 0.548 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507626136 MXSTXKHCINHFHR-DNVCBOLYSA-N 426.539 0.328 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1507659850 GTFLCBSXPJTNLX-QGZVFWFLSA-N 436.582 0.462 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1508090068 HGQPQRGAUAIQFC-OAHLLOKOSA-N 440.570 0.382 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)CC)CC1 1539436488 UKIDKUCSNDALFV-UHFFFAOYSA-N 437.957 0.688 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1540869841 YNUGOAAHXRPDDJ-OAHLLOKOSA-N 437.504 0.967 30 10 ICEE CCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546461786 HAIMBVPINBMSRF-XDSRXIPYSA-N 429.525 0.668 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1555810961 RBTUQMOMBHTBTC-GOSISDBHSA-N 446.533 0.704 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1557422308 IRDNECKOBSYZEE-FMQUCBEESA-N 432.502 0.454 30 10 ICEE C=CCCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OC 1558381937 NMUGDQGJKDNECR-MRXNPFEDSA-N 425.507 0.798 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1583821266 XNMZAGHAEHERKH-AWEZNQCLSA-N 435.502 0.490 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587851338 IHNHFIRGTKZISY-YTQUADARSA-N 427.553 0.631 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1588181316 REKOAYCUUXOQQG-CVEARBPZSA-N 441.579 0.176 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1588732614 DXVLOZNOABOTLG-PGRDOPGGSA-N 430.553 0.900 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)CC1 1588836898 NYSHXXJMWXYSSG-MOPGFXCFSA-N 434.610 0.810 30 10 ICEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)c12 1629840156 GNVGXCNQCYKFOE-OAHLLOKOSA-N 429.502 0.101 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)CC1 1634876469 QFJZCPASNFISSG-KRWDZBQOSA-N 436.553 0.590 30 10 ICEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690080306 NROHESMNWDFFCO-UHFFFAOYSA-N 431.500 0.987 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722362342 AJRYPUQJJMGAPI-GOSISDBHSA-N 436.582 0.192 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1722384336 PSGZGPRIAKCOGJ-GOSISDBHSA-N 428.518 0.436 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 1722446004 IWNQIFTWZWNHNI-UHFFFAOYSA-N 440.552 0.949 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722702047 JBOPVRQLKGASFY-OAQYLSRUSA-N 432.525 0.477 30 10 ICEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1729068427 GINLNHRYNNNCGA-UHFFFAOYSA-N 447.565 0.952 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1740628220 ONKOPHDQRZTWEB-OXQOHEQNSA-N 435.550 0.452 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1740694646 PGRDOTPIBIHOKL-IBGZPJMESA-N 435.532 0.782 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740966291 XFMMKIDLDXNOQT-OAQYLSRUSA-N 434.541 0.726 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1760175524 LKSZPPDYQXWICX-YJBOKZPZSA-N 439.563 0.650 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1770726953 BNWVUZPFPOILPV-CXAGYDPISA-N 426.474 0.464 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1772660181 VLEVAQAFEDKIDS-AWEZNQCLSA-N 447.517 0.942 30 10 ICEE C=C(C)CN1CC[C@H](N2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C(=O)C2)C1 1856865857 BYNNOWUSFHSHPB-SFHVURJKSA-N 438.594 0.512 30 10 ICEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676083 FLIBAPXOEJICMX-VHSXEESVSA-N 428.320 0.472 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2255839004 OVHIKLSATYPRGF-LBPRGKRZSA-N 437.306 0.785 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4cccnc4C#N)CC3)C2=O)n(C)n1 428375685 PLFYPMFONCEPEC-KRWDZBQOSA-N 443.533 0.497 30 10 ICEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 478744248 HJMWLNRXLSPVPO-IAGOWNOFSA-N 425.510 0.983 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1Cc1ccon1 541284163 RERKUJHAGQPGKB-UHFFFAOYSA-N 438.494 0.442 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCN(CC#N)CC1 588924976 DGQIGLDANIXZSZ-UHFFFAOYSA-N 449.577 0.739 30 10 ICEE COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609257171 WLEPRMJILAFOOQ-UHFFFAOYSA-N 426.404 0.784 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 917768554 QJLSJTQRZCRZQZ-CQSZACIVSA-N 430.555 0.979 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)C2=O)cc1 1154245990 CWQPBZJKCIDXKX-ZMSDIMECSA-N 430.486 0.656 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNS(C)(=O)=O)c1 1286310366 UZOSHZZATQFNJG-UHFFFAOYSA-N 441.517 0.879 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286824791 JJYOELDNSGBYMB-HNAYVOBHSA-N 441.554 0.233 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286880445 QDFZRDDFDYCATM-QTIQAUKSSA-N 443.508 0.715 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1300631558 SNAIPNTYHWTZLH-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc(C)no2)CC1 1300711245 UROPLUKIBNFUTA-UHFFFAOYSA-N 442.524 0.706 30 10 ICEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)O1 1303956014 YJCASBURYRXATJ-RCCFBDPRSA-N 437.518 0.832 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1358882095 STJKTNIKAZRIFJ-XOBRGWDASA-N 432.502 0.724 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCn2cncn2)c1 1358900602 OAIBYVJCAMWKEW-UHFFFAOYSA-N 435.492 0.764 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1358962916 ZBSLZCADMNZVGD-KBPBESRZSA-N 445.492 0.180 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359113210 CGEKDIYGTKUEJM-HZPDHXFCSA-N 445.611 0.864 30 10 ICEE CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Br 1439611913 GWZOPSUBOANXHP-NHYWBVRUSA-N 447.332 0.863 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1442021568 ZXZMURZALPIDLD-MRXNPFEDSA-N 440.543 0.095 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 1464845276 FGTUIAUFXPMDOQ-HTAPYJJXSA-N 434.537 0.296 30 10 ICEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C1CC1 1472537143 URDLPBQHETVNEL-UHFFFAOYSA-N 427.548 0.912 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1507632252 KEQBKIQAEMMMKA-HZPDHXFCSA-N 433.538 0.816 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CCC)C2)CC1 1507732816 XUHAGZIHAOQPOM-MOPGFXCFSA-N 434.610 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)nn2C)CC1 1507733549 CDCOMMBWYCLGTR-UHFFFAOYSA-N 438.536 0.570 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507867998 COOMRDJUHKUZEQ-MJBXVCDLSA-N 435.934 0.214 30 10 ICEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1507956952 IWMITUZXKIAIQA-UHFFFAOYSA-N 428.497 0.980 30 10 ICEE CCS(=O)(=O)NCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1516850592 IAKCUZHORRDMTC-QZTJIDSGSA-N 444.533 0.700 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539225422 NXBGMMQLTOZVJV-SFHVURJKSA-N 444.561 0.663 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540902371 HUNSKWBZGMKZIH-HUUCEWRRSA-N 432.568 0.744 30 10 ICEE CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O 1541563576 SDNLRNYDIZINNI-HNNXBMFYSA-N 446.533 0.998 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)CCO1 1555994203 GGWWIWFDPOGRPG-MRXNPFEDSA-N 434.497 0.772 30 10 ICEE CN(C)CC#CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1557899608 SQHAQYAQVMVMBG-MRXNPFEDSA-N 449.982 0.103 30 10 ICEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 1558464831 OWQHJTXAAVODQA-OALUTQOASA-N 426.521 0.537 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1587975242 UBAROOJKIRKXNI-UHFFFAOYSA-N 443.533 0.684 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1588034609 JCHVVQHYEGNGRV-QGZVFWFLSA-N 441.517 0.872 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCNS(=O)(=O)CC)CC1 1588930197 PKHKZQZGPWTAJV-UHFFFAOYSA-N 436.582 0.841 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1588985131 OPPVMHGGMNTDTD-GDBMZVCRSA-N 442.611 0.559 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1595603134 YQOYWAZFTPMDFK-LJQANCHMSA-N 441.554 0.246 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1595785142 RIFIXRVRWJEJFT-QGZVFWFLSA-N 449.581 0.438 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1612878739 OUJLOUFDMBLRMO-NXHAUGRDSA-N 436.476 0.533 30 10 ICEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1620052241 HGSZLYJKHNPUAE-IBGZPJMESA-N 440.504 0.917 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1620352249 NWBIAEQXESSDMM-WMZOPIPTSA-N 426.477 0.846 30 10 ICEE Cn1ccc(=O)n(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1=O 1626754044 BKDRXEHRLJVOHX-UHFFFAOYSA-N 446.305 0.824 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCO[C@@](C)(C#N)C2)C1 1687572819 YXVBMMVTHMFYOF-KSSFIOAISA-N 430.527 0.735 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690667934 MYQVAHUZJKSTFU-INIZCTEOSA-N 446.519 0.963 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1690669265 ZRDQEEYNUNDUJW-UHFFFAOYSA-N 448.553 0.113 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690669892 ROKLEMSOMNYNEO-OLZOCXBDSA-N 429.447 0.604 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)NC)C1 1690685182 XFPATZVORFWCOZ-AWEZNQCLSA-N 435.510 0.256 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690723762 AJXNFYXCNGFHGU-QGZVFWFLSA-N 447.565 0.808 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705571840 JMZWTSYQSYQPGQ-FJIDUMEYSA-N 438.550 0.665 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705902448 FIAISMLDKFOCSX-HZPDHXFCSA-N 425.555 0.878 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712174374 ZJSCXXNDNKXVPX-ZNMIVQPWSA-N 443.487 0.590 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC)C1 1722717816 DUNCJSGYHSITKZ-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1727658289 DFIXPHYUCCTCEI-VGSWGCGISA-N 437.504 0.922 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740692300 HYZYJXNIQRUICL-OAQYLSRUSA-N 440.529 0.122 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1740962586 IJJLGCPAFFKGTA-UHFFFAOYSA-N 441.536 0.836 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1748814827 JSVBYSIESBRGND-IRXDYDNUSA-N 426.539 0.809 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749211136 UDHKHNKZDIDMJI-UHFFFAOYSA-N 430.513 0.596 30 10 ICEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749493014 QEOLSGPGYHCFIF-MMYRVIJDSA-N 443.508 0.618 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1749630345 RGLYGKOOULTZKJ-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749668615 AYYHHMMZEJDXFJ-GDBMZVCRSA-N 433.538 0.557 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760148470 AWUFENRYOJYCAL-QGZVFWFLSA-N 426.506 0.958 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760179389 QZNGEZIOTGSAMT-QGZVFWFLSA-N 449.577 0.958 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1760186159 AZWXOHOTHQSPQJ-CJNGLKHVSA-N 428.474 0.369 30 10 ICEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(C)(=O)=O 1760231732 DXGYAELRRICPHL-UHFFFAOYSA-N 439.567 0.247 30 10 ICEE CCc1nnc(N2CCN(C3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764921864 DABJLRIYXYXJCI-VXPUYCOJSA-N 429.525 0.668 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1=O 1767507319 WWALFUKNCPRWPX-QFIPXVFZSA-N 437.504 0.766 30 10 ICEE O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)NCC#CCN2CCc3ccccc3C2)N1 1851131951 MONZGCDWTIKNSP-RTBURBONSA-N 426.542 0.344 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)[C@@H](C)C2=O)CC1=O 1855052491 RYCGMRHYGYWJFP-STQMWFEESA-N 441.456 0.747 30 10 ICEE Cc1cccc(CCCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856829709 GSFVSAXOZGPJAR-IBGZPJMESA-N 432.546 0.916 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2255648407 LSXAUHKKRCDLDD-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE CC(=O)O[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@@H](COC(=O)c1ccccc1)OS(C)(=O)=O 104850618 ASSGEEKBKJCWQS-IMPIEMTGSA-N 444.458 0.996 30 10 ICEE COCn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480276527 UCEFFKOFHUCGMS-UHFFFAOYSA-N 425.492 0.054 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 514306634 MLUZTXDHOBPSGF-KRWDZBQOSA-N 445.516 0.884 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603798908 PQSOFZFDMDRBJN-HNNXBMFYSA-N 433.555 0.806 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 603799783 TVPXCUBONOUIJG-MRXNPFEDSA-N 428.514 0.140 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cn1 732561313 LRNAWGKHPASTOU-UHFFFAOYSA-N 441.557 0.331 30 10 ICEE C#CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 742572880 IOWOHMZWMHAWJR-CYBMUJFWSA-N 430.504 0.338 30 10 ICEE C[C@H](CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 747436938 JSCLKMOWKHUKMJ-CZUORRHYSA-N 434.518 0.400 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 755111399 VEKFMLIVMOXBSD-HUUCEWRRSA-N 429.539 0.704 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n1 790104190 LUNQSSBAYUOTJF-JOCHJYFZSA-N 449.511 0.967 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CCO1 1286940569 CCHCCEZVTXDVIW-IBGZPJMESA-N 437.504 0.684 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300491035 DHGATRIMUFELER-JKSUJKDBSA-N 437.566 0.919 30 10 ICEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC#N)C(F)(F)F 1303849835 WFCZUDQYIYPLMG-STQMWFEESA-N 441.453 0.729 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCS(=O)(=O)C1 1318358254 VNFSIVHHXIFVKN-INIZCTEOSA-N 443.547 0.341 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1320526629 ADIMONYUUZBKAG-HNENSFHCSA-N 436.465 0.898 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358965945 DYPMNINKLPTYEC-SFHVURJKSA-N 448.593 0.512 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1359018654 YAHVOPAVBUWUDN-UHFFFAOYSA-N 441.492 0.294 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1493177201 AZNZWZHBPXLJAH-UFOSLELVSA-N 436.476 0.533 30 10 ICEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N1CCSCC1 1507618031 GNKKTNUZXNIBFV-UHFFFAOYSA-N 437.595 0.588 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCSCC2)CC1 1507732017 BIEMMIWKHNUHJH-OALUTQOASA-N 434.610 0.806 30 10 ICEE CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513310571 IPPYZEFFNIBGSW-UHHPSXQGSA-N 445.524 0.948 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)CC#CC 1539516813 DLCYRBCUGPOZSQ-KRWDZBQOSA-N 435.575 0.440 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1540897136 BOCHEJXJRSVEEG-MELADBBJSA-N 431.584 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@@H]21 1540898044 YNUZLZJVDJBVEQ-KKUMJFAQSA-N 431.584 0.868 30 10 ICEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555792309 BJWVRYYVLNKIAM-RDJZCZTQSA-N 447.517 0.993 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1584999886 CWTJCEHMAZRFBG-VGSWGCGISA-N 436.553 0.685 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1586620757 BIUNIQJIAGFLMC-QWHCGFSZSA-N 425.935 0.799 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1588930111 NVNZZETVTWIYDQ-UXHICEINSA-N 444.580 0.595 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1598568588 WNGVLSFTZDPFRN-QMTMVMCOSA-N 427.523 0.799 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1635491273 RCVLNQNBGQRWKK-HZPDHXFCSA-N 425.507 0.861 30 10 ICEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1667039346 FAQYDRSICZKBDH-OAHLLOKOSA-N 441.531 0.144 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](COC)OC)c1 1689870343 KVMJNPVDRGYTKW-ROUUACIJSA-N 440.504 0.947 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705661971 MJJCIHFELHUMRW-OWCLPIDISA-N 443.595 0.185 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C)C1CC1 1705853404 ACPWWAANTLTHBF-AWEZNQCLSA-N 439.567 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705930616 RGOAVQXJVFQSLW-CABCVRRESA-N 433.600 0.863 30 10 ICEE COCC1=CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712219878 ANLZLDUEALNUEL-LZICOFPGSA-N 441.492 0.539 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1722367802 XGKXHHRVJBLLDL-CYSIVNQBSA-N 429.568 0.481 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1722413094 HVOZKMGUSPEYIX-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1729682238 SUEFKYHOJNKFOU-GOSISDBHSA-N 427.509 0.346 30 10 ICEE CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1747615931 WENHAMZUWGZVGX-ZGTROFRASA-N 436.538 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(ccnc2O)C1 1749730828 RWFRNPBOUKEYEC-UHFFFAOYSA-N 429.506 0.943 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)CC1 1772660185 KXPCNGAGFQVOQR-UHFFFAOYSA-N 438.531 0.843 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2=O)CC1=O 1854019501 YNGIJMDYJDSXLX-LBPRGKRZSA-N 427.429 0.359 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCOCC4)nn3)CC2)CC1 1889383708 LVGDHMPEXUAPRO-UHFFFAOYSA-N 442.564 0.185 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1CCN(CCC#N)CC1)NC(=O)OCc1ccccc1 2286009715 ZMTBBAZURMPBRP-KRWDZBQOSA-N 438.506 0.315 30 10 ICEE CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@@]1(C)CCC(=O)[C@@](C)(OC(C)=O)C[C@H]2OC(C)=O 256301990 JNLNEIIZZQABDP-QCKFJMSFSA-N 438.429 0.936 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@H]3O[C@@]32CO)[C@H]1C 299817638 LYJKREGDQDJIDC-MWITZAIYSA-N 433.457 0.485 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@](C)(O)CN2C(=O)C(C)(C)c3ccccc32)CC1 429732371 WWOMQMXFOCWDPA-HSZRJFAPSA-N 428.533 0.508 30 10 ICEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cn1 503433131 XUIYTDHRURLOGD-IBGZPJMESA-N 439.538 0.951 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)n1 544839745 FYPCDVOGVNOKGU-UHFFFAOYSA-N 435.536 0.787 30 10 ICEE N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 732910651 RMSOSBPMPJNSPH-IAQYHMDHSA-N 425.413 0.284 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@@H](C)OC 764187786 SDQJYVDIDYYYPI-OCCSQVGLSA-N 431.536 0.765 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1C#N 786649016 OHXFEDYBLUQUJT-UHFFFAOYSA-N 437.504 0.302 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cn1 794578526 DHVYTOBXRXXWOS-CVEARBPZSA-N 428.514 0.321 30 10 ICEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 800783296 SEJUREJMMFKSLO-INIZCTEOSA-N 439.476 0.038 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 1152967780 PJFVPFASZZWSJY-IXDOHACOSA-N 440.566 0.634 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)cc1 1164240271 OKTPYCJQSOERCS-INIZCTEOSA-N 438.502 0.991 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)OC)CC1 1286486094 IACXAYNVGFTKMX-HNNXBMFYSA-N 425.493 0.926 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1286549403 VEUZQCMIISFKLG-MJGOQNOKSA-N 446.552 0.790 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1291193997 MWEXDDZIRFPHJS-IVZQSRNASA-N 437.504 0.874 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1296315709 UHKSFORQYXZUMT-ZPHPHTNESA-N 442.524 0.924 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300499189 QTDNYFZIIOIMLV-GOSISDBHSA-N 437.610 0.950 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1300695790 JQKUAEMOOBFIGS-UHFFFAOYSA-N 434.570 0.105 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1508104709 KNXMHZKSFKRVTR-OAHLLOKOSA-N 448.549 0.780 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C1 1510290100 GGKQCMAHDOZZLV-JTDSTZFVSA-N 438.554 0.778 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539052771 JFRJRVIWOIISFR-ZWKOTPCHSA-N 438.598 0.993 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1539231347 REQDPKVCAAWVIY-ZWOKBUDYSA-N 438.550 0.779 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1539296891 VQWOJVHGZQCJHZ-QZTJIDSGSA-N 436.582 0.320 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1540861843 IPFJMEUSEHSNAC-UHFFFAOYSA-N 436.520 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)CCOC)CC1 1588924177 WOIHKASJGKHQCY-UHFFFAOYSA-N 428.541 0.223 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595784054 ASZBGTROPZGCIN-CQSZACIVSA-N 427.552 0.887 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1608571193 DLLNHJAURPXUFZ-NRFANRHFSA-N 440.508 0.161 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620165171 JQINYQHAQAQNCO-UHFFFAOYSA-N 425.474 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1632966801 YYTATJPYCOJLJW-JJEJIETFSA-N 440.566 0.802 30 10 ICEE C#CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cn1 1634631463 OHZDMRQWZTXIOL-KRWDZBQOSA-N 432.502 0.374 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@]3(O)CCS(=O)(=O)C3)C2)C1 1635652414 MEFQYOIIAPGWOK-RWNCWCDWSA-N 427.523 0.439 30 10 ICEE Cn1ccn2c(CCNC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)nnc2c1=O 1686929618 NRKYVXZVVZAIMJ-UHFFFAOYSA-N 434.504 0.806 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1705550979 CXSRAEHCGVPQMD-AWEZNQCLSA-N 442.542 0.205 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705905534 YMPLWFOABFEAQF-LJQANCHMSA-N 436.520 0.976 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1722380635 SRYLYEJABRHPRQ-UHFFFAOYSA-N 427.472 0.925 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)CC1 1722431445 LNLKPZCRSYQBEN-CYBMUJFWSA-N 438.583 0.106 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1722694656 CYVKNOSZIYRAIY-UHFFFAOYSA-N 428.493 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722725782 RVYDLLFLLJVAMD-INIZCTEOSA-N 447.565 0.925 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1740622107 ULNFKOWNOJNPBC-AWEZNQCLSA-N 429.481 0.888 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1748891816 GODAKGSZYTWUQB-RTBURBONSA-N 433.578 0.611 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nncn2C)c1 1760129133 YZHBASQNCOTMNO-MRXNPFEDSA-N 433.476 0.462 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760129409 MHLGPIHQKNQLJQ-UHFFFAOYSA-N 445.568 0.201 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760188293 JHXBSZAPQURWFI-QFBILLFUSA-N 434.522 0.111 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1760264549 SHTIPHCTTAWTTI-UHFFFAOYSA-N 448.549 0.170 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1761462968 CNRXIICXUXIHIJ-LSDHHAIUSA-N 427.575 0.473 30 10 ICEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1767316362 CJYJSDDCVPOUCY-HXUWFJFHSA-N 433.534 0.965 30 10 ICEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1770682561 DPSMDBHABWWJGJ-NFPAXOPASA-N 443.508 0.759 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCn2ccnn2)cc1 1771533828 AMBPWJIAKFDRDB-UHFFFAOYSA-N 426.506 0.979 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2317605507 LYNCXAUKIWQHKP-GFCCVEGCSA-N 439.322 0.384 30 10 ICEE O=[N+]([O-])c1ccc(O)c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 254317160 GZRSSZYKOLAOST-UHFFFAOYSA-N 430.425 0.605 30 10 ICEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 429476925 ZFKDQFJYJIBRCF-KYJSFNMBSA-N 431.518 0.583 30 10 ICEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 433623850 IUSICNUYZMOYPL-UHFFFAOYSA-N 439.494 0.975 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447281376 QQSQKOCCNNJFSU-UHFFFAOYSA-N 434.319 0.546 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2I)CC1 503607912 FFBWSMYSOVSEBB-UHFFFAOYSA-N 440.241 0.605 30 10 ICEE CCOc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 539506752 NOTJATPFSUKSCE-ZDUSSCGKSA-N 434.478 0.769 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 576365568 YGTBTJMSRSXEOO-FUHWJXTLSA-N 449.581 0.990 30 10 ICEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(OC)c1OCC(N)=O 619106802 ACIQQKPFDFIZHB-UHFFFAOYSA-N 425.445 0.797 30 10 ICEE CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc21 732706812 QASFCHHJMXBFBH-MRXNPFEDSA-N 426.477 0.293 30 10 ICEE Cn1ncc2c(=O)n(CC(=O)OCCC#Cc3ccc(CN4CCOCC4)cc3)cnc21 770856908 AALWEBLJJUCCDF-UHFFFAOYSA-N 435.484 0.947 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)n1 788695544 SOWXWCZSXZLFGN-UHFFFAOYSA-N 444.510 0.864 30 10 ICEE C#CCC(CC#C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 807187693 HIEYXVQGRCLXRZ-UHFFFAOYSA-N 426.516 0.570 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)ccc1F 914657565 QXDAIZTVYGYBJQ-LBPRGKRZSA-N 441.481 0.572 30 10 ICEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)C1=O 1156424936 LUAFGIAWRSHQLZ-GOSISDBHSA-N 440.526 0.833 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H]12 1225936881 GMPSXHJKUWHVSA-LXFSFDBISA-N 428.511 0.199 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1286296808 RQOFHIGMHBNAOI-KSZLIROESA-N 438.598 0.801 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1286791399 YQZWYQAMQOROJI-UHFFFAOYSA-N 441.540 0.436 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300421698 OJZYPCDOEKZPDD-GOSISDBHSA-N 427.509 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1301587664 XGSZFUUDTUITPZ-OAHLLOKOSA-N 439.538 0.391 30 10 ICEE CNS(=O)(=O)c1ccc(N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 1308042943 GWZKVHMBEQPNMK-UHFFFAOYSA-N 427.530 0.905 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1309357989 HENZCAVLLSJWRI-JTQLQIEISA-N 437.341 0.515 30 10 ICEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315043178 KDUOZTJCEKCYPA-INIZCTEOSA-N 442.524 0.731 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1318923661 HDNNUHJPNBKKEA-PFONDFGASA-N 438.428 0.581 30 10 ICEE C[C@H](C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)n1cnc(C#N)n1 1325118351 BWKWYGBTUIFNJJ-CQSZACIVSA-N 426.433 0.043 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359299497 GSTKVRUVNNMOLZ-QGZVFWFLSA-N 429.569 0.981 30 10 ICEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cc1 1479138811 YVJUBPBGCBZCAY-IBGZPJMESA-N 438.488 0.596 30 10 ICEE COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1504831447 RLLLDTIMJLXBEI-MAUKXSAKSA-N 426.543 0.778 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507743654 IDKNCQANXMWAPY-GOSISDBHSA-N 433.626 0.999 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1540871504 NDGMBHHITJUDHV-QGZVFWFLSA-N 446.533 0.433 30 10 ICEE NC(=O)C[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1556005296 VHAQYNDOSNNPHR-MVZUJROASA-N 427.509 0.849 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccc(Br)cc1C#N 1557575903 HUOUQAHZHQCXIR-KBPBESRZSA-N 449.261 0.558 30 10 ICEE C=CCOC[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1568154120 ADCAFOUZUYFVNG-CQSZACIVSA-N 448.538 0.661 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1587909352 JHQMMOFLVQLQHL-OAGGEKHMSA-N 426.587 0.846 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1589664385 ZPTNXADHGDQOSS-CRAIPNDOSA-N 429.543 0.165 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1595570116 XYVWKHCXDYRPPA-UHFFFAOYSA-N 431.541 0.586 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 1633257326 LCPAWHZXUGWCAV-MRXNPFEDSA-N 437.497 0.116 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)C1=O 1636783468 SZSOTFFZDDXNAZ-NSHDSACASA-N 430.408 0.724 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 1650846242 OOJXBOSUNMUIRO-LJQANCHMSA-N 432.546 0.775 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCN(C)C)CC1 1690122691 ZQYLIYPLTSZGKH-UHFFFAOYSA-N 429.525 0.339 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705905944 MBDUXBBCCCWLPD-INIZCTEOSA-N 433.538 0.277 30 10 ICEE CCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709134042 YEKUGDMDXRVSQJ-ISLYRVAYSA-N 444.540 0.997 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCCc1ccccc1 1722280756 WPIPLEIIRIGNSN-JKSUJKDBSA-N 432.550 0.705 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 1722697859 RVQSKZVLHXCXEK-UHFFFAOYSA-N 426.525 0.586 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740626282 SZYQZZIUQMURHN-GOSISDBHSA-N 444.561 0.805 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1740960404 QVXPDXRYDUHHTP-IRXDYDNUSA-N 437.566 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740991295 SHZSZCQMFGBTCU-UHFFFAOYSA-N 445.549 0.577 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748771195 IOLXFZRJTOLISB-PGRDOPGGSA-N 432.569 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1749670051 QQILQTDTSFUSBU-QGZVFWFLSA-N 444.561 0.809 30 10 ICEE COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1749688380 CNNWGHXRXRDRIZ-MRXNPFEDSA-N 438.510 0.597 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760165446 SOOMKZNYQZLENZ-VQIMIIECSA-N 425.555 0.812 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1760321980 MNFKVZREVKUOIP-NCOADZHNSA-N 439.582 0.980 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1F 1761500186 GWPQGOZSVCYGQQ-RISCZKNCSA-N 426.449 0.944 30 10 ICEE CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763458404 MLJNBKXNXJDQIV-DCOQFNDQSA-N 431.497 0.558 30 10 ICEE COC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)CC1 1855740218 QLZMKPSHYUGULU-HNNXBMFYSA-N 434.518 0.417 30 10 ICEE CS(=O)(=O)N1CCC(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)CC1 1856362691 NLDFAVTYNHOZAP-UHFFFAOYSA-N 434.518 0.279 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1CNC1 2247878357 NWQWJQJGVPDOMZ-UHFFFAOYSA-N 433.343 0.277 30 10 ICEE C=CC[C@@H](O)[C@@H]1CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906291 YFSYPWISRIJXKD-YESZJQIVSA-N 426.491 0.796 30 10 ICEE CC/C=C\[C@H](OC)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O 72166454 BSXLPZRKEPWAAT-GEFGPVNESA-N 445.468 0.657 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447777759 MYOLVZUMOLSDGG-UHFFFAOYSA-N 435.509 0.547 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 505974598 ZLGLPSIUURRFTO-UHFFFAOYSA-N 428.518 0.904 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1 533216060 IITKNYPRANVDDD-UHFFFAOYSA-N 441.576 0.636 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccnn2)CC1 579688044 RQCHVSRSCHHQFR-MRXNPFEDSA-N 448.553 0.304 30 10 ICEE C[C@@H]([C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 609213996 KUERZPYQWIZWCO-SJORKVTESA-N 435.550 0.683 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 750961465 JQASRVJKNYGOFT-XMSQKQJNSA-N 427.505 0.798 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c1 1125125692 LFFHBDZXTPVTIF-VXNZKSKFSA-N 428.536 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 1175515053 PSDZAHTYRNHYCG-YLJYHZDGSA-N 446.573 0.598 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 1213875538 UYKQTZOFWZPZNF-UHFFFAOYSA-N 443.533 0.758 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1286297913 YWXUROURKOJSOO-WMZOPIPTSA-N 449.581 0.973 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1286470602 AJKATWLCHGNKLH-UZLBHIALSA-N 438.598 0.585 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300988728 IFNWEDLZIPIJIF-INIZCTEOSA-N 432.525 0.302 30 10 ICEE CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1302500363 GOJVPBJMQNXTAT-QGZVFWFLSA-N 445.549 0.529 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 1471585121 VBHAQFJUUXRZLJ-UHFFFAOYSA-N 427.548 0.578 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507622586 JCSBIBPOOPBQKF-OAHLLOKOSA-N 434.522 0.696 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnn(C)n1 1539025719 LVPBLZMQCIRAGP-GOSISDBHSA-N 434.552 0.673 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 1539647859 YSNOMXBSQICLHH-IIBYNOLFSA-N 446.552 0.852 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1554165106 IXAFJBJWRHFLOT-IAGOWNOFSA-N 428.518 0.967 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587702340 UANCHSMIICYKPO-INIZCTEOSA-N 427.509 0.790 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN(CC)S(C)(=O)=O 1588128034 BCLQWVQGPSOTFB-UHFFFAOYSA-N 446.533 0.750 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C)CC1 1588929495 BGIUVERDSJCNSD-RDJZCZTQSA-N 436.582 0.096 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CC1 1620564908 XBMMXHCCAHOLMR-MHTWAQMVSA-N 433.597 0.810 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 1629631917 CBWKKLDJFZHSOY-UHFFFAOYSA-N 433.578 0.967 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1 1643372298 FKDZFHARWTUATD-UHFFFAOYSA-N 432.550 0.438 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 1643372642 VJBJZVQYMPEVMN-IBGZPJMESA-N 428.555 0.635 30 10 ICEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)[C@H]1CCCO1 1686185090 XPSCPVHWKOOQRU-XUWVNRHRSA-N 427.523 0.595 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1689947128 AYGNAPLJMOUNEC-LJQANCHMSA-N 426.539 0.328 30 10 ICEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)on1 1707947360 APRXMMONVVRZEH-WMLDXEAASA-N 439.473 0.398 30 10 ICEE CCc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1709117216 CMBJYVSNRCKDJG-KRWDZBQOSA-N 434.522 0.984 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1722730478 UAKMCZROYAUMIL-UHFFFAOYSA-N 449.581 0.988 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1729219043 HPHHJFLSUGLQCN-HNNXBMFYSA-N 439.567 0.692 30 10 ICEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1729851866 WRWKZVVHULUNKC-SDDRHHMPSA-N 440.448 0.584 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740623357 RYERRJDZLBZDHS-IRXDYDNUSA-N 445.549 0.451 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC=C(C)C)CC1 1740696048 LANVCPLCZIIXEF-SFHVURJKSA-N 436.582 0.723 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740706259 REDVVAIZEBOWNW-YHEJKZAPSA-N 430.553 0.992 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1748979592 GFBAKDXJQYDXNJ-UHFFFAOYSA-N 441.561 0.900 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749193244 CALNHFMMMYHYPM-PMPSAXMXSA-N 438.554 0.150 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1749826072 NPLMYSUKXQJQKE-ZDUSSCGKSA-N 435.510 0.460 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C#N)o1 1750114970 KHCQOJKWWXRNSA-KXBFYZLASA-N 444.492 0.810 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1760174772 IFBXZYMEEAPVOV-GOSISDBHSA-N 447.517 0.500 30 10 ICEE CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1767336511 CYEQWWAANWIMRB-CABCVRRESA-N 442.542 0.155 30 10 ICEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1769494164 ABPNSWGVIQRIMQ-AWEZNQCLSA-N 447.521 0.643 30 10 ICEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)O[C@H]3CCS(=O)(=O)C3)CC2)CC1 1890104039 IPVLJUOGEDELLH-FQEVSTJZSA-N 441.594 0.821 30 10 ICEE C#CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 111047502 UVZUFPSTYMHZTF-QGZVFWFLSA-N 442.559 0.209 30 10 ICEE CC(C)n1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 483578752 WRGJEZJWBQAPFG-UHFFFAOYSA-N 430.490 0.807 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)n1 545505040 LZYVCFYGAHZJCO-UHFFFAOYSA-N 426.502 0.312 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 566707753 XKMQPEOUGRXBRK-UONOGXRCSA-N 435.572 0.056 30 10 ICEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860427 FPDXXEQPERTXHN-UHFFFAOYSA-N 440.497 0.213 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 604169327 SASYPVBAKIKNAU-QZTJIDSGSA-N 430.553 0.825 30 10 ICEE C[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H]1C[C@H](O)[C@]3(O)[C@@H](C)O1 604377327 QBQXQYSJPWXZJL-GMJCCSHQSA-N 444.392 0.288 30 10 ICEE biogenic CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@]1(CO)COCCN1 1151818262 ZQWUQJWJVPVGOF-KRWDZBQOSA-N 428.283 0.565 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1175524349 XYHMIWLMGJCLFT-XHSDSOJGSA-N 426.539 0.101 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286397850 DAEPRDZEOXAAAF-MDZRGWNJSA-N 426.539 0.544 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286504896 SBGWRPVZLLXCEO-UONOGXRCSA-N 431.522 0.068 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286779368 ITIOVGMASCTNJP-BEFAXECRSA-N 441.554 0.319 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1288775856 HNEFKWGXWUJYNQ-ZDUSSCGKSA-N 429.510 0.573 30 10 ICEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1297868338 FRUAFJGSQKECKK-GOSISDBHSA-N 429.502 0.628 30 10 ICEE COc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1300327850 GCHAISZMIQJXMM-KRWDZBQOSA-N 434.460 0.902 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300486803 BHUXQWMKBKSMBS-ZBFHGGJFSA-N 430.534 0.815 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1300972705 PBPDZDDFSATOEC-HUUCEWRRSA-N 438.558 0.951 30 10 ICEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301074916 AGEBSBCPJACDJW-QGZVFWFLSA-N 442.499 0.978 30 10 ICEE C=CCn1cc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)nn1 1309602547 AECUCRHMLBONCH-SFHVURJKSA-N 435.506 0.921 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2cccc(C(=O)OC)c2=O)c1 1356457873 LYFVASBMIZQIMD-UHFFFAOYSA-N 437.452 0.508 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1359069861 ACRCLMJTFDTTCQ-OXQOHEQNSA-N 435.550 0.421 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1359301493 ZXRQHAVMNMXEEB-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1507679805 RFCUAUYKOVSFNX-HNNXBMFYSA-N 432.550 0.950 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508332326 WBCZDCYEYBIYKH-YUMLTWSLSA-N 443.508 0.413 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1509808874 VMKOKCZGFRUMFH-PNHOKKKMSA-N 449.487 0.749 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1512435938 ULECAVHDUJRNQQ-NXHAUGRDSA-N 436.476 0.533 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1539012017 DLCSXIAOWJRYKG-PASDCYSWSA-N 425.555 0.620 30 10 ICEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1539118029 DVPZRZNMOFSMDV-AUSJPIAWSA-N 430.486 0.395 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1539291378 PPDQZNZNKJIODW-UHFFFAOYSA-N 442.545 0.836 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O 1540072844 OGDORVGGVWHDMX-AWEZNQCLSA-N 428.515 0.076 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nc[nH]n2)CC1 1557256144 ABTCVZZEICMMIG-OAHLLOKOSA-N 431.522 0.607 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1595722836 NSBXXKNVYOFCDH-GVDBMIGSSA-N 425.555 0.987 30 10 ICEE Cc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)cc1B1OC(C)(C)C(C)(C)O1 1596014748 NLPOYHLZYSEEIP-UHFFFAOYSA-N 425.298 0.602 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1611308001 KAUQRMMUQTTWLJ-OLZOCXBDSA-N 436.485 0.631 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1620177526 GQYRUIQGQDKBHC-GOSISDBHSA-N 432.485 0.508 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@]34COCCN3C(=O)COC4)C2)C1 1635845435 QFOBHEMVINXKGH-DXXXYDMZSA-N 448.520 0.517 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 1636479798 GZECSUWKCGSSDQ-XQRVVYSFSA-N 449.270 0.509 30 10 ICEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)OC 1637694303 XOYYSQYLQSINSW-MRXNPFEDSA-N 436.486 0.540 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)CC1 1644281754 JTEOFLXSMRZZAL-UHFFFAOYSA-N 434.449 0.896 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CC1 1690375212 CYMUWIOJRWUWFR-QGZVFWFLSA-N 442.586 0.346 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1690660215 BPCHZWHZKFFNPU-UKRRQHHQSA-N 438.510 0.361 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690714550 ORGYHNXBTOESDZ-KXBFYZLASA-N 441.554 0.401 30 10 ICEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1698335943 MHYMYEIOTOQEDK-CZUORRHYSA-N 425.518 0.715 30 10 ICEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1712713776 IQAJZHWOMPYFBC-UHFFFAOYSA-N 446.533 0.895 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCS(C)(=O)=O 1751212131 HHBYKMRCOOYTIP-ZDUSSCGKSA-N 432.572 0.453 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1752328206 TUMPETPPRDNDIW-NXHAUGRDSA-N 438.492 0.477 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1760219399 CZMTXPQAENMYGU-IBGZPJMESA-N 439.541 0.985 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760550264 VPJHGGVIUFIYKL-SJORKVTESA-N 442.524 0.909 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc4c(c3)CCCC4)C(=O)C2)C1 1856851432 ZWJLLIXBAMODOU-IBGZPJMESA-N 430.530 0.777 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(S(C)(=O)=O)CC3)CCC2=O)CC1=O 1856974164 CIYBOFILKOLECZ-HZPDHXFCSA-N 425.551 0.295 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCN2C1=O 2255602822 XTHPNOKCZNWVJR-HUUCEWRRSA-N 433.314 0.958 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267614659 RCXHDPQNGLHQQN-ZFWWWQNUSA-N 448.329 0.733 30 10 ICEE C=CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3)NC(=O)N2)CC1 22813023 SYFTWKMLSDHMRJ-OAQYLSRUSA-N 441.532 0.778 30 10 ICEE COc1ccc(Br)cc1/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO 33919302 SLMJOXQXAIXADI-QGMBQPNBSA-N 437.254 0.633 30 10 ICEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)o1 59887332 NJSUHRZRAZHEIA-CNHKJKLMSA-N 448.513 0.790 30 10 ICEE C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(CC(=O)N3CCOCC3)C[C@H]12 104917365 FYZHXOSWIJYSNR-PZJWPPBQSA-N 428.533 0.519 30 10 ICEE CN(C)C(=O)CN1[C@@H]2CCN(C(=O)C3(C#N)CC3)CC[C@H]2Oc2ccccc2S1(=O)=O 247994595 MIXYUNNPJLXKIC-HZPDHXFCSA-N 446.529 0.821 30 10 ICEE C=CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 410067980 YEJJYIHHHDYWAQ-INIZCTEOSA-N 427.498 0.492 30 10 ICEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 503610120 MCFWHTAVZIGAGI-UHFFFAOYSA-N 440.472 0.950 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 589608842 MDKQVGPABXHFBX-UHFFFAOYSA-N 435.554 0.446 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 685550891 OPLHVYZKHXKVSP-MCIONIFRSA-N 435.572 0.055 30 10 ICEE C[C@@H](C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)n1cnc(C#N)n1 798441204 MOUOEKHSAANXJD-ZDUSSCGKSA-N 432.462 0.034 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)CCOC)CC1 1286485529 PADVNSOTFZVSFP-NRFANRHFSA-N 434.541 0.170 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1286776193 JFOQITWVNFDZSS-MRXNPFEDSA-N 438.554 0.388 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1289437363 VRDVJLXXMADGCW-LLGFUMIMSA-N 431.514 0.701 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1293242053 HREKJNJFLIILQD-MRXNPFEDSA-N 432.506 0.488 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300480223 ZYSBFGDPKPXONS-UZLBHIALSA-N 439.582 0.984 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2Cc2ccccc2)CC1 1302923943 GDXUQVYQRFKDDB-UHFFFAOYSA-N 433.559 0.635 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314954923 XZCYNBUQFYMJID-AWEZNQCLSA-N 433.538 0.574 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1315027917 VQYWPVACIKDHTJ-CZIZESTLSA-N 440.508 0.772 30 10 ICEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359221430 BIKULUXJEXDOAB-OAHLLOKOSA-N 430.513 0.562 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359300000 RCXVZNZQFBTUFY-UHFFFAOYSA-N 429.525 0.119 30 10 ICEE CN1CCn2nc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2S1(=O)=O 1437247809 YGNKGIBEYFIETP-UHFFFAOYSA-N 428.518 0.783 30 10 ICEE CN(Cc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1503492691 GIMZEYJOVMAOHB-RMYFCYLKSA-N 425.449 0.985 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1507644724 MOXKYNPIVCFYHY-MRXNPFEDSA-N 446.554 0.856 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1507710998 NAWVZLCLILGPJQ-SFHVURJKSA-N 445.545 0.608 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CCC(CO)CC1 1521423971 ZQDKUYCKRSNLBP-MRCUWXFGSA-N 437.504 0.999 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1539344469 AHMJYYMOWIMSBB-LJQANCHMSA-N 426.539 0.329 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539774963 HKABCSCGZGZVBQ-NWDGAFQWSA-N 440.979 0.159 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1540866802 APJCRHQWOGACJW-UHFFFAOYSA-N 428.493 0.933 30 10 ICEE C#CC[C@]1(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1542545571 MCJCNADJDLSZNT-HNAYVOBHSA-N 428.555 0.811 30 10 ICEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1547706345 KWMBXYACMAJIBR-FYQPLNBISA-N 447.584 0.757 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1552894456 YBDVHKWRSBCURM-DCOQFNDQSA-N 445.549 0.982 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c1 1554499552 AKSAWAGCFMHTMM-XJKSGUPXSA-N 431.522 0.924 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C#N)cc3=O)CC2)cc1 1559439967 BAADPFBJRSXRQE-UHFFFAOYSA-N 428.470 0.456 30 10 ICEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1585978464 GIKBOJSZGGDIJY-UHFFFAOYSA-N 437.474 0.360 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCc2ccco2)CC1 1588733406 RLMIHQNWNBSJAY-UHFFFAOYSA-N 441.536 0.861 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)F 1611706572 ATCAYXHXGNPIQP-JSGCOSHPSA-N 447.512 0.694 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1613897561 CYLOXZJQXRZSPE-CHWSQXEVSA-N 438.558 0.979 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1617710075 TZZHFAMRQQQINQ-UHFFFAOYSA-N 435.510 0.637 30 10 ICEE C=CCN(C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 1625390346 VUHYXQJDWORPJP-HOTGVXAUSA-N 443.566 0.951 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1625651301 PMVIVGWENRSMNO-CHWSQXEVSA-N 437.946 0.784 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)CC1 1636480722 WHQXNHNNJWLNEQ-UHFFFAOYSA-N 447.513 0.654 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1644285738 YUEPQLISSQABSH-MRXNPFEDSA-N 430.571 0.928 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)ccc2I)CC1 1650846226 OAZYTYVWJJDHES-UHFFFAOYSA-N 447.298 0.825 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C3)CC2)o1 1654360267 GOIFBYRFDPDLIC-DOMZBBRYSA-N 442.442 0.892 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C3CC3)[C@H](C)C#N)CC2)c1 1654996537 FTYROQRQZOAGSN-OAHLLOKOSA-N 436.534 0.913 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 1660391893 HNAZCKHCXMRPEE-HOTGVXAUSA-N 426.564 0.202 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)CC1 1690113947 YOBSQMXIOISZMD-VXKWHMMOSA-N 433.553 0.879 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1)C1CC1 1690545591 VAMSSZNZHXVXCZ-LPHOPBHVSA-N 441.554 0.571 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)c2occc2C)CC1 1705632371 NVBYOSIIRAFPAY-UHFFFAOYSA-N 441.536 0.893 30 10 ICEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706055863 ZGEGBACDBFAZJW-UHFFFAOYSA-N 439.524 0.536 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(CC)CC1 1722281334 YBUZGSGTZNVIHE-ULQDDVLXSA-N 425.603 0.372 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722372250 SGIUTRDPENPMGL-ROUUACIJSA-N 448.593 0.369 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1731009977 GQZUSGYRYQAXIS-WMZOPIPTSA-N 441.517 0.827 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)C1 1731180421 BBYSSJWKLFIQHP-JJRVBVJISA-N 445.542 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740995387 JSYYWBCXQCIGAC-VQIMIIECSA-N 439.538 0.648 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1748825626 BBUYZRHXSRMYNG-OAHLLOKOSA-N 449.558 0.413 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)CC1 1748990806 LPGLNFORYMNWBG-QGZVFWFLSA-N 426.525 0.337 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1748992906 JXGWKUQIJWCACB-UHFFFAOYSA-N 446.552 0.799 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)CC1 1749008747 AROMPERIVLRLNT-CQSZACIVSA-N 442.549 0.657 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749026232 IPPPKJCECUHNGS-OAHLLOKOSA-N 437.533 0.954 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760284504 NGIYPGCUJNBIRN-HNNXBMFYSA-N 425.580 0.780 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760524508 ZLINLPLYGBNPBV-AWEZNQCLSA-N 431.497 0.343 30 10 ICEE CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764826706 KEKNTUUJUMRPQD-SGRLSNSRSA-N 442.568 0.583 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 1767464543 MXZCUDVNTVDNHF-MAUKXSAKSA-N 438.467 0.891 30 10 ICEE CS(=O)(=O)N1CCN(C(=O)CCON=C(N)c2ccc(Br)cc2)CC1 1853440343 FCMGCDSZRAFPDD-UHFFFAOYSA-N 433.328 0.580 30 10 ICEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N(CCO)CCO)ncnc21 1873591931 XRUNJMATTPZWJW-UHFFFAOYSA-N 430.509 0.151 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628778 MYOAFIDAPVSKKE-GXTWGEPZSA-N 436.318 0.978 30 10 ICEE C#C[C@@H](C)N1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2362112155 JMSXMZHIIPQYDL-AEFFLSMTSA-N 437.518 0.424 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 520185936 XUUOGJRRRNCIRS-HNAYVOBHSA-N 431.514 0.664 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 726574519 HKKJPDNMIIXNRS-HNNXBMFYSA-N 429.546 0.094 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 735069218 OUBUSRXORAZBHI-MRXNPFEDSA-N 429.546 0.723 30 10 ICEE CN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 765409032 JBGQBLMNJPACFN-PGMHBOJBSA-N 435.506 0.476 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 790108264 WNGIIKFLOIASSK-GUDVDZBRSA-N 434.562 0.975 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCc2nnnn2C)C1=O 790750756 RPKDQNHEEFYPPX-ZDUSSCGKSA-N 436.567 0.514 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCCC1=O 1147550140 YNNKHYKXKUEQOR-OAHLLOKOSA-N 434.518 0.795 30 10 ICEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(C(=O)NO)cc3)CC2)c1 1155846706 BQWFYLNFYSQVAG-UHFFFAOYSA-N 446.529 0.882 30 10 ICEE O=C1c2ccccc2C(=O)N1CC#CCn1cc(I)c(O)nc1=O 1189349465 VACNCMZGWMNQPS-UHFFFAOYSA-N 435.177 0.853 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 1286485514 OOHRAJBXXIITHY-HNNXBMFYSA-N 438.479 0.806 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNS(C)(=O)=O 1286517128 QLGJUZZUSCRRIU-LJQANCHMSA-N 441.521 0.462 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1286788991 MFPFPKWPSOHRFS-LJQANCHMSA-N 425.537 0.725 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 1291595086 DWLQAQPFZDKFGE-UHFFFAOYSA-N 428.470 0.948 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1296605642 IEUARRFNFZSUGS-VQTJNVASSA-N 429.456 0.914 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)CC1 1300707537 GFUPKBWQBKBWLB-INIZCTEOSA-N 430.534 0.440 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cncn2)CC1 1300731224 DUNVFRWLFGDMHF-ROUUACIJSA-N 442.524 0.260 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301474449 AGJUHWNIILHBDZ-UHFFFAOYSA-N 446.556 0.445 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cs1 1304676127 SVGFPHONYRROPC-OAHLLOKOSA-N 437.551 0.398 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCCO)C1 1316354594 GRPQBKRONRVQFX-QAPCUYQASA-N 444.533 0.606 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1358890998 YEGLUFCUHNKNKP-MJGOQNOKSA-N 436.626 0.912 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(C)C 1358994199 HKAARIUAPWLQPF-GOSISDBHSA-N 437.566 0.889 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)ccc1F 1461022444 OTYFZJKEHRFEBQ-CQSZACIVSA-N 427.454 0.184 30 10 ICEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467708077 VADYQOHNEVQTMF-KRWDZBQOSA-N 427.505 0.585 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccsc2Br)CC1 1475623026 OHPVQDLPJUFYOB-UHFFFAOYSA-N 442.382 0.426 30 10 ICEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503212729 UVPNVNJCHTZCJW-ZDUSSCGKSA-N 432.506 0.752 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccncc2)nnc1N1CCS(=O)CC1 1505354743 PWWSMPRUBFWEKH-VHEBQXMUSA-N 441.517 0.359 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1507616509 KJHCSIXTJSGKSZ-GOSISDBHSA-N 447.561 0.956 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507967937 OYBBJZVORUZDJM-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1508090932 KOCDOSSZAZGTCO-KRWDZBQOSA-N 433.557 0.075 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1540863532 YBWYHGSICRDLCQ-AWEZNQCLSA-N 428.559 0.584 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587862598 XEJYPRDLDUPQRV-GJZGRUSLSA-N 434.522 0.066 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)C2CC2)CC1 1588961596 FNILKWUQXLFFDL-KRWDZBQOSA-N 441.580 0.849 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595569553 JFAJYEOGZMVOCD-QFBILLFUSA-N 442.568 0.599 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1618582467 GUZMSMHPYKETGR-JOCHJYFZSA-N 437.504 0.638 30 10 ICEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)c1cc[nH]n1 1640431961 SWROEEGDJVLYMQ-MWLCHTKSSA-N 440.400 0.127 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc23)CC1 1655707342 YIFDNBWWLCGWOT-UHFFFAOYSA-N 439.335 0.986 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689992357 JWOWMYBEJTZNRL-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1690622215 KWWOLMPDALYBMD-DLBZAZTESA-N 441.554 0.943 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@H]1O 1697064122 DGXFHWKLXBMEMW-CEXWTWQISA-N 441.488 0.982 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1722402310 LHTNTJXDCRZGJL-CQSZACIVSA-N 436.513 0.917 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1722681058 FTZKYLDYHXPLIY-MRXNPFEDSA-N 439.542 0.032 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1740639633 XZVODRTYRFBEBI-GOSISDBHSA-N 445.527 0.986 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740995323 IDFJVOXVJATVID-LSDHHAIUSA-N 432.568 0.744 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748814280 CKKFQBBMCKFVIJ-LSDHHAIUSA-N 448.574 0.978 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749664313 JZJZBDMYCDDOGN-SFHVURJKSA-N 440.552 0.329 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1=O 1749899133 OVRVCAWJPIUCDN-UHFFFAOYSA-N 426.477 0.549 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750011977 FKLCWJLNQFVNLD-DXQAYGFFSA-N 431.497 0.269 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1750568055 IHXUNBLKIWBCSW-HNOLQLOCSA-N 445.524 0.864 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1760194787 QKPPGCYGYAAHBN-MRXNPFEDSA-N 438.517 0.590 30 10 ICEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1760529844 HKZQHYGBBHEZQB-GOSISDBHSA-N 442.520 0.981 30 10 ICEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C(=O)C2)C1 1856865856 BYNNOWUSFHSHPB-GOSISDBHSA-N 438.594 0.512 30 10 ICEE Cn1nc(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 2312862916 RODJZWQHFQEVNV-RWMBFGLXSA-N 433.318 0.852 30 10 ICEE CN1CC[C@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 429038823 GMMMDMDVPRKILV-NRFANRHFSA-N 431.562 0.419 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC(=O)NC3=O)nnc12 435992781 IDXWJYYZMMQZTC-GFCCVEGCSA-N 426.458 0.244 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cncn2)C1 460931649 LPGXAUUDLWRVCP-JKSUJKDBSA-N 436.542 0.620 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)cc2C1=O 500811632 RJLWVFJPGULGAU-MRXNPFEDSA-N 447.513 0.735 30 10 ICEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506640707 BAYDQUZTPAIMHM-PKOBYXMFSA-N 429.569 0.850 30 10 ICEE CC(C)(CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 510224950 BIGJTEFAGWQLQL-UHFFFAOYSA-N 449.577 0.092 30 10 ICEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 743195629 ZJBZLKQYGHDSOD-UHFFFAOYSA-N 426.470 0.564 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 748695893 UUKRWYRPHYFDFR-UHFFFAOYSA-N 440.953 0.794 30 10 ICEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800018927 KYBYJQCPXSOJTM-HNNXBMFYSA-N 431.559 0.724 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800784608 OWADSCIBPNDEGS-INIZCTEOSA-N 444.517 0.823 30 10 ICEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1 801214509 JFDOGIQDWSTURP-VFNWGFHPSA-N 447.513 0.976 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 1152967566 LMYODHHUCOJNSG-UHFFFAOYSA-N 433.446 0.134 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1152972274 CHEYOIOYWHRHDH-CABCVRRESA-N 428.555 0.538 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286385959 RSCYZAXKQHTSDA-GJZGRUSLSA-N 431.584 0.358 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301429332 XHMXHYAKFSQOOR-AWEZNQCLSA-N 426.543 0.150 30 10 ICEE C=CCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1301473673 HJBIYPSPFLZWKX-NRFANRHFSA-N 427.509 0.937 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301483900 XXBVFSJEABIGPL-OKILXGFUSA-N 437.298 0.910 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301491630 USZCMCXFAUAADL-MRXNPFEDSA-N 438.536 0.431 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301497475 XUCAWFYRYQOFRG-WMZOPIPTSA-N 426.525 0.584 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1302093819 NVEXGWITCNWAAY-AWQBJMPUSA-N 434.541 0.719 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC#N)CC1 1318314920 UECYROIAMFTHHO-GOSISDBHSA-N 436.534 0.820 30 10 ICEE Cn1ccn2c(CCNC(=O)COc3ccc(C#N)c(Br)c3)nnc2c1=O 1439315307 SYMIUTTWJRBEBD-UHFFFAOYSA-N 431.250 0.800 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507631671 FWDYJLWBFDDZQO-HOTGVXAUSA-N 444.579 0.234 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507731329 FXAQKAHIMPRXOH-LEWJYISDSA-N 429.613 0.811 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2COCCO2)CC1 1507740129 ITDOLMBIWGTDTK-GOSISDBHSA-N 444.536 0.172 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507791050 GYQHXEWBDPWWHT-QYZOEREBSA-N 446.552 0.837 30 10 ICEE CC[C@@H](Sc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1)C(N)=O 1538539366 GFQJNRZLVCVWEE-IETSOEAISA-N 428.561 0.438 30 10 ICEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539974988 YEAZNPGMCNOXNQ-UHFFFAOYSA-N 442.528 0.092 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1540108287 ICOGGXIOCNIQBP-BBWFWOEESA-N 441.554 0.306 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CO)CC1 1540901963 WCKVPBRFUHXXOU-UHFFFAOYSA-N 437.522 0.815 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)c1 1559385925 XYBAZCAJGHZANG-UHFFFAOYSA-N 426.429 0.924 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588955040 OOUOUENOTJTMGU-HXOBKFHXSA-N 438.532 0.770 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1593636459 MFKONCIUUWZEFP-GJZGRUSLSA-N 436.542 0.657 30 10 ICEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1629637402 QQRXCHQPHUBKSZ-GFCCVEGCSA-N 431.308 0.848 30 10 ICEE COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1640000631 BTWRWCVSSGPUSM-MRXNPFEDSA-N 437.323 0.706 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N(C)Cc2cc(Br)cs2)c(=O)n1CCO 1644183744 MOLPDIYAHUKLJN-UHFFFAOYSA-N 441.307 0.665 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 1650848705 FMYCHKYCVILMDH-HNNXBMFYSA-N 428.873 0.584 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 1683210681 AIPBTYOCXLTOIM-UHFFFAOYSA-N 428.898 0.406 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1690009852 MQRVHBKRVKALTN-UHFFFAOYSA-N 430.486 0.808 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1690670487 CHPUGKNVXQHAKP-OAHLLOKOSA-N 449.537 0.558 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)COC)C1 1690699142 AAGBGLUXYWZKCD-BBWFWOEESA-N 443.570 0.675 30 10 ICEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1739625795 AYKKQWMRPKCBBO-AGNRALNMSA-N 428.529 0.914 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740885053 VNVWRBPLJBCFIT-MRXNPFEDSA-N 428.497 0.744 30 10 ICEE CCOCc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747130333 SRQHPFWGBAEJJY-CECJQHFESA-N 429.481 0.200 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1748863954 LRCWJYFKTYHFLS-INIZCTEOSA-N 434.566 0.610 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749194272 ZTOGSAZXRYXDKK-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749721750 SOYAANOOCDUKJD-AWEZNQCLSA-N 426.543 0.074 30 10 ICEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1751046157 NLGZZXIPUQODKY-SFHVURJKSA-N 437.504 0.779 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1760175636 OALBBGIWXBBKDT-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(C)c2C)CC1 1760270828 BTDDEVDNWODZQU-UHFFFAOYSA-N 438.536 0.457 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760275502 YSJHNJQVPMVFDR-KBPBESRZSA-N 449.624 0.268 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 1760488684 BWPFPSHQQCFUKH-CQSZACIVSA-N 447.583 0.006 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760530161 LAWFNUPDLSIYGA-JQZBISMTSA-N 435.525 0.689 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1768245567 LVFLBQNYVFZNCJ-IRXDYDNUSA-N 428.518 0.966 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCCCC2)C1 1770349291 GUSOGCBBDIONSW-IRXDYDNUSA-N 438.554 0.920 30 10 ICEE COCCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1771248833 CARQWYHTRZCNSH-HIFRSBDPSA-N 438.510 0.643 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1772567437 ZVKKRBUZPAWZBW-OAHLLOKOSA-N 427.513 0.770 30 10 ICEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1869932004 PIGSXFXPPPYIRF-OAHLLOKOSA-N 436.515 0.468 30 10 ICEE Cc1cc(=O)n(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1 1889351274 WYOBIGLKRGTETA-UHFFFAOYSA-N 429.565 0.589 30 10 ICEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CC(COc3cccnc3C#N)C2)c1OC 1891418908 WWGUDXFYNZCLAY-UHFFFAOYSA-N 432.458 0.769 30 10 ICEE Cn1cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255822284 KXVAGRIHBZIZEW-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2267586293 IHNBYWILEAMEDK-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2268982311 DDKOFBZVTIZUBA-OAHLLOKOSA-N 444.297 0.904 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H](CN)CO)c(Cl)c2)OC1(C)C 2282488351 AMVRVZWFXDWJJI-SNVBAGLBSA-N 425.143 0.891 30 10 ICEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 111046650 YUKDVVOKUJFLOH-MRXNPFEDSA-N 427.548 0.306 30 10 ICEE C=CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 410073496 DZFLBWLOIWVKTH-OAHLLOKOSA-N 436.534 0.580 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 576124015 DPOHTTJQEBTZMG-JKSUJKDBSA-N 438.554 0.388 30 10 ICEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 585673572 IOEYYFOKJAHJBY-CAUWSZTBSA-N 435.444 0.199 30 10 ICEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cn1 730144378 KIJOMEZXANCMOL-HNNXBMFYSA-N 448.549 0.368 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 733149721 PJGCTNVKIRXEHW-UHFFFAOYSA-N 446.573 0.371 30 10 ICEE CSc1cc2c(cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)OCCO2 737304657 BJOXFWSOSXBYKH-WUKNDPDISA-N 432.458 0.761 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 755128145 OZULLBHZSRELOG-HUUCEWRRSA-N 427.523 0.151 30 10 ICEE C#CCN(C(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 775765581 LOQFREHQTYJYMH-HNNXBMFYSA-N 436.490 0.837 30 10 ICEE CS(=O)(=O)N(c1ccc(OCCNCc2nc(C#N)cs2)cc1)S(C)(=O)=O 810151855 IBYLSNWPDATRMD-UHFFFAOYSA-N 430.533 0.909 30 10 ICEE COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(Br)c1O 1084282501 FGELUUIXLVARKJ-UHFFFAOYSA-N 437.254 0.893 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 1175515370 ZBSLIZPUVIQJHD-UHFFFAOYSA-N 428.555 0.683 30 10 ICEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1195042621 LWBLTRMWFWUUNM-UHFFFAOYSA-N 439.481 0.903 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)cc1 1264645117 LFRCLNALDGBLJY-VXNZKSKFSA-N 428.536 0.910 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1286394913 XYSFKAKJPLHNTB-GBESFXJTSA-N 445.545 0.431 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1286396539 WCASAOOBSOGFDO-IAGOWNOFSA-N 435.550 0.673 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NC)CC1 1286823789 YCNHGJJAKKSAKW-UHFFFAOYSA-N 432.550 0.827 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1296328936 GNXLSGWJPVGFQZ-MRXNPFEDSA-N 431.522 0.471 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1300703248 CPQHGAVIQKQWFP-INIZCTEOSA-N 427.534 0.674 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1301589817 XSVWWFOHBILYDH-MRXNPFEDSA-N 437.566 0.974 30 10 ICEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589619 KBXGMXDDHISSFD-ZDUSSCGKSA-N 435.506 0.946 30 10 ICEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(=O)(=O)CC 1306192452 BHPHCVJIBQQJTR-UHFFFAOYSA-N 432.554 0.763 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(=O)n1C 1307378238 AXRLTLDLNMANTE-ZIAGYGMSSA-N 443.479 0.796 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358954990 BXKGFEIKNCCHOK-HNNXBMFYSA-N 448.574 0.954 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358983445 IRCLCXVIJLBVIW-LZJOCLMNSA-N 434.562 0.819 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOCC2(C)C)CC1 1359045590 MTDOSTFFFZEZDA-IBGZPJMESA-N 444.580 0.859 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOCC1 1359296442 JKLJIQCIXNQFFK-UHFFFAOYSA-N 428.493 0.744 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)n[nH]2)c1C 1463884674 ZXIFSQCTJZJVSI-UHFFFAOYSA-N 441.536 0.693 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 1478435718 QGQVYMAVFNMUSP-UHFFFAOYSA-N 425.477 0.056 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507868066 DYELIWWIIHCAAQ-HNNXBMFYSA-N 444.989 0.579 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507961782 GEIORVJKAYKSEG-GOSISDBHSA-N 446.552 0.897 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1539266835 SPJFCSSDIWNBPX-SQNIBIBYSA-N 435.550 0.235 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540862126 ROSHNRUSOZKDQM-GOSISDBHSA-N 445.568 0.365 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1541724078 MRZCWKZNRNMDQV-GOSISDBHSA-N 426.543 0.608 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1558817259 KKYUHLBDGYVZRF-UHFFFAOYSA-N 430.479 0.543 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1588029712 KXCSPLUFVKXVLK-GJZGRUSLSA-N 445.611 0.951 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1588800912 RHYWEHHQBNSBDM-UHFFFAOYSA-N 431.566 0.767 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1589483491 OTZHSCGADOOLRW-IAGOWNOFSA-N 431.541 0.957 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1)C1CC1 1595054158 BVMPJVHRXPHWHI-INIZCTEOSA-N 438.554 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1595785205 UNBNHJIIEIIKME-UHFFFAOYSA-N 439.563 0.954 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1596212218 FHWMQPDMNLZAIK-SIRIWSTISA-N 443.508 0.365 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 1623599301 MQTHOFYSMGKBEU-QGZVFWFLSA-N 426.477 0.786 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1625651302 PMVIVGWENRSMNO-OLZOCXBDSA-N 437.946 0.784 30 10 ICEE C#CCN(CC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)C(=O)OC(C)(C)C 1626235410 LATJQMCEMQLKNI-MRXNPFEDSA-N 430.571 0.928 30 10 ICEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H]2CCN(O)C2=O)C1=O 1628370027 IPVZPVAKMCCEBL-BZNIZROVSA-N 425.239 0.322 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)s1 1637077238 SIKOJQPDAQLQMP-TZMCWYRMSA-N 431.536 0.320 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 1650848706 FMYCHKYCVILMDH-OAHLLOKOSA-N 428.873 0.584 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1650848825 KFJPJCIWNXVAGB-PMPSAXMXSA-N 426.539 0.386 30 10 ICEE CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1676892162 BDQDUHVWQMCYJP-UHFFFAOYSA-N 435.554 0.492 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1689912837 BNQFAODWKONVHV-OAHLLOKOSA-N 448.553 0.427 30 10 ICEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1695270543 GBGJJTRFHOITPO-GOSISDBHSA-N 437.504 0.780 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1705895027 RFGMKTNOHOGKQQ-MRXNPFEDSA-N 443.508 0.858 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCC2=O)CC1 1705908461 BZADHUWOBYNEJA-JXFKEZNVSA-N 446.552 0.896 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1722375995 INPWPINYXJVUKF-UHFFFAOYSA-N 425.312 0.658 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC=CCO2)C1 1731012102 BVSTWJNYVVQDHT-IRXDYDNUSA-N 436.538 0.696 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740554470 ZOLJNFOFVNIMBG-WBVHZDCISA-N 448.549 0.299 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740705139 BROVEZZUYWKDCU-QGZVFWFLSA-N 449.577 0.715 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740958897 WNNQGLUWQWMXLF-MRXNPFEDSA-N 444.565 0.619 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1741731956 LRTADVPFTBAQBQ-DYESRHJHSA-N 431.541 0.583 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1741801454 ASAQVCICKDTAAR-QWHCGFSZSA-N 425.540 0.854 30 10 ICEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1745679038 NTUKRZDZNAFRPH-NVXWUHKLSA-N 439.586 0.739 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746737538 JJHOMGOZBIATRF-WIYYLYMNSA-N 444.492 0.784 30 10 ICEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1748201616 DPKDMGPZCGXHFU-UHFFFAOYSA-N 435.492 0.983 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1748670929 DZMAMJVMUAYQFV-PBHICJAKSA-N 427.530 0.972 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760184142 VPZLEJBUPOPAJX-MELADBBJSA-N 449.624 0.267 30 10 ICEE COCCCn1c(C(=O)NCC#CCN2CCCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1889253063 HUCRSCYMZADVCZ-UHFFFAOYSA-N 429.521 0.294 30 10 ICEE CC(C)(C#CC(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2213497345 HZVODYCENAJBJZ-FMKPAKJESA-N 441.525 0.750 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402689 ZTGGFPHQPPWMLN-WDEREUQCSA-N 440.331 0.880 30 10 ICEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)C2CS(=O)(=O)C2)OC1(C)C 2369961185 NZSFOISYQKVJSZ-UHFFFAOYSA-N 441.789 0.917 30 10 ICEE Cn1nc(Br)c2c(=O)n(CC(=O)NCCOc3ccc(C#N)cc3)cnc21 741972703 YSMYCHVGYDTEDU-UHFFFAOYSA-N 431.250 0.959 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCC(=O)CC2)CC1 751679649 VMNPMPQCIFLEKD-UHFFFAOYSA-N 433.486 0.694 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)n1 789175471 VSWUJVWRZXJTTI-SFHVURJKSA-N 427.509 0.599 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC3)CC1 803415725 LZEDMHBBXOWNAA-DYESRHJHSA-N 436.516 0.555 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286389338 IGDVEOGEMJWYOS-GOSISDBHSA-N 446.577 0.853 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1286438485 WZRUFYPTLTTZJR-UHFFFAOYSA-N 439.563 0.700 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@](C)=O)CC2)CC1 1286490548 XOTDRKSWEDYAGZ-PMERELPUSA-N 429.550 0.556 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286491847 APENQCANNUAKSN-GOSISDBHSA-N 444.580 0.937 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1300516685 HTAOBNLNQZWFHW-MRXNPFEDSA-N 426.477 0.931 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1300665017 WRJANCJOORPJPH-UHFFFAOYSA-N 449.533 0.917 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2cnn(C)n2)CC1 1300683094 WHMZLVGYUPQOKB-UHFFFAOYSA-N 427.557 0.713 30 10 ICEE C#CCN(C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1313253221 ZBKZBLMOQHNWNW-KXBFYZLASA-N 429.539 0.844 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C1 1359312774 APBFFIPCYPVTPO-XUWVNRHRSA-N 429.543 0.210 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1455706353 RWTSADQQUQXTOX-LJQANCHMSA-N 446.573 0.514 30 10 ICEE C#CCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1471937552 LSCIDHVETQCRET-MRXNPFEDSA-N 437.518 0.823 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)n1 1479363575 ASJJAWVHCLOZEV-UHFFFAOYSA-N 442.398 0.699 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507605784 VATBTRPLHPQDLQ-IRXDYDNUSA-N 428.516 0.930 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1507622175 GSYVSIUBOPEFSG-CABCVRRESA-N 443.595 0.705 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1507653740 QVZQCFBLSROMSW-LJQANCHMSA-N 448.593 0.560 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC(=O)NC2CC2)CC1 1507739158 NRJUUOJKOBRWKQ-QGZVFWFLSA-N 428.537 0.807 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1508108777 LKHOTPCYUWYWPH-HNNXBMFYSA-N 441.554 0.137 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1539222824 XIJDBWYUYHGXDP-DLBZAZTESA-N 435.550 0.673 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1539518204 WOBNTNNYGWFRHG-LSDHHAIUSA-N 426.568 0.716 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540866120 COYRZTCAQGKYHR-OAQYLSRUSA-N 428.493 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1540904232 LKHHWTJEVQAXDZ-MRXNPFEDSA-N 446.595 0.644 30 10 ICEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1541186162 HDKGBOQMIZMGKG-OAHLLOKOSA-N 437.526 0.703 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 1563989496 RRJCSCNAXZBHFK-HNNXBMFYSA-N 427.477 0.338 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)c1cc[nH]n1 1586169835 MMWYUIHVSLKUBK-UHFFFAOYSA-N 443.504 0.967 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1588629156 ZJFNPCLWHCLHHP-UHFFFAOYSA-N 437.504 0.756 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1588974708 ADQKRNSGNNVQDX-HNNXBMFYSA-N 447.565 0.549 30 10 ICEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1594962089 HTTHBXQQDMPSKW-CQSZACIVSA-N 444.558 0.758 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595778244 XLDNDDAHEFAYMF-QGZVFWFLSA-N 444.517 0.369 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1618840535 SFCCUYWYVBKXAO-HOTGVXAUSA-N 429.506 0.081 30 10 ICEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1619595692 AZRPPADGVAVKGP-KRWDZBQOSA-N 434.522 0.560 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620165127 IFTQUNXCULERQH-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCN(C(=O)CC#N)CC1 1635737635 UGAZUHIIENGKOB-UHFFFAOYSA-N 435.550 0.423 30 10 ICEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n[nH]1 1648630882 BNBPZMGQXAOVJR-OWCLPIDISA-N 429.550 0.945 30 10 ICEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1669216611 CEJJJNYCTODKCP-LBPRGKRZSA-N 426.442 0.913 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1690497507 RPTASQLBSICQDE-QAPCUYQASA-N 429.543 0.477 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C)C1CC1 1690545675 WJAYGTNLNVMOLR-INIZCTEOSA-N 440.570 0.634 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1690622482 QECPZKXQDDUQOS-OAHLLOKOSA-N 441.554 0.101 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1690674847 HMNUEGZBUCGYFC-UHFFFAOYSA-N 449.519 0.296 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ncnc4c3cnn4C)CC2)nnc1C(C)(C)C 1705909189 PUMXFFUDJLIRFR-UHFFFAOYSA-N 438.540 0.881 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1705909501 ZGTXSESXYXYVOG-CXAGYDPISA-N 433.431 1.000 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1722294896 IHZOQLUGNMGEAB-ZKDVCIDWSA-N 443.595 0.370 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1722467538 TYSQMESAXBCMKJ-VHKYSDTDSA-N 434.566 0.891 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1722730325 OQLBNEAWVZEUDH-UHFFFAOYSA-N 438.554 0.093 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729703035 PKKGRKXVAMQKMX-UFOSLELVSA-N 431.497 0.271 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1730867669 FNLCASMYZIDAOU-QLVMHMETSA-N 431.541 0.657 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1740677176 QYAVLQIZNBBGCM-GOSISDBHSA-N 440.479 0.867 30 10 ICEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1750217464 AVEBJWBMVRJNKN-WYIRRWHOSA-N 429.506 0.955 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760099525 IABXIZXGOYFEMS-PGRDOPGGSA-N 432.569 0.941 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760249570 OLLSXVBZUAADFF-KRWDZBQOSA-N 433.534 0.824 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1769488449 FAUGQFHRQVZPAQ-SFHVURJKSA-N 426.477 0.527 30 10 ICEE CN(C(=O)CN1CCCn2nc(C(=O)N3CCO[C@@H](C#N)C3)cc2C1=O)c1ccccc1 1848504243 LJNSPWXKJLTYSL-KRWDZBQOSA-N 436.472 0.757 30 10 ICEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CN(c2nccnc2C#N)C1 1848791171 PNFDARJMJUQTRD-CQSZACIVSA-N 434.456 0.820 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 1858337200 XQVZAHTWDIAPGZ-KBPBESRZSA-N 444.435 0.991 30 10 ICEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)CC1 1872904376 SVZIDZGLCBSXBF-OAHLLOKOSA-N 434.518 0.228 30 10 ICEE COC(=O)c1c(S(C)(=O)=O)nn(-c2ccncc2C#N)c1I 2080341030 NKKARLHOBNHPIF-UHFFFAOYSA-N 432.199 0.934 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247840673 QUJSMCGWQUKXTB-YYFQZIEXSA-N 426.319 0.926 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CO)C1 2267198228 VLECNXVSPUNSID-HNNXBMFYSA-N 448.329 0.830 30 10 ICEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267270366 LBHLJRXGFRSARA-SFHVURJKSA-N 437.353 0.980 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267875183 DXLKXKVZCLXEGB-AWEZNQCLSA-N 448.329 0.830 30 10 ICEE C#CCCN1CCC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286041438 VBPZYMZBANLPGA-MSOLQXFVSA-N 437.518 0.773 30 10 ICEE C=CCN1C(=O)NC(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 2297639491 WKPCSJXDLQLYHI-CQSZACIVSA-N 428.445 0.691 30 10 ICEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33811842 VGFMLNHWBHAYBO-NTUHNPAUSA-N 434.499 0.688 30 10 ICEE CCn1c(=O)c2c(nc(C#Cc3ccc(OCC(=O)NC)c(OC)c3)n2C)n(CC)c1=O 205424288 IGBVBXBKFAWJHT-UHFFFAOYSA-N 439.472 0.470 30 10 ICEE COC(=O)CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 437230700 CMDXHPQNFQPHQB-UHFFFAOYSA-N 441.531 0.538 30 10 ICEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 489057533 JNXAYTNEEDBRJO-UHFFFAOYSA-N 436.515 0.761 30 10 ICEE N#CC1(CS(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCC1 544726718 UWQWDYPBAHDZGH-UHFFFAOYSA-N 441.531 0.834 30 10 ICEE CCc1c(C(=O)OCC(=O)NCc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754347077 OHGSKUZKYNXUPT-UHFFFAOYSA-N 435.440 0.539 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 771125035 VWDMHTLCLMQTKZ-UDWOFDDZSA-N 437.522 0.604 30 10 ICEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 838649144 UZPOHLOSTOLABF-UHFFFAOYSA-N 435.509 0.303 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1181000045 JMIXGRRKRBODEU-HNNXBMFYSA-N 433.465 0.620 30 10 ICEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1198128693 VZNPKAHSZHPPLN-UHFFFAOYSA-N 448.545 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1 1222444693 VNXLVWVRXQDGPG-QGZVFWFLSA-N 434.497 0.443 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cn2)CC1 1286485471 MTTJCVJWHBQQDE-UHFFFAOYSA-N 427.484 0.965 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)CC1 1300682766 JOIJDQPIQCAZRB-OAHLLOKOSA-N 434.570 0.042 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1301479126 UNAHYVVPGYAWCD-GJZGRUSLSA-N 449.537 0.243 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCCO)C1 1316354356 GRPQBKRONRVQFX-CRAIPNDOSA-N 444.533 0.606 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC=C)CC1 1359043645 CAIIXFIIPFZTSH-UHFFFAOYSA-N 445.549 0.245 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1360683784 GVQPXRPMTYLPPH-GRDNDAEWSA-N 429.522 0.051 30 10 ICEE C=CCOC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1448497272 RBHZFGYZKCVSGV-YCRPNKLZSA-N 433.461 0.631 30 10 ICEE CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cn1 1502229509 HMJJMGGZMKXLIY-GDBMZVCRSA-N 436.542 0.472 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630731 GOKRZASEWQBIPB-IAGOWNOFSA-N 445.549 0.083 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1507759991 RGMUSLQICBOHSQ-WMZOPIPTSA-N 437.566 0.664 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1508072767 SBTFEWOZDHOWGI-CQSZACIVSA-N 426.543 0.076 30 10 ICEE C[C@H]1CS(=O)(=O)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1538431256 GFMBSFXRTNTXOK-HNNXBMFYSA-N 439.559 0.995 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1539178892 LRHAWKBFCXEDFU-VQIMIIECSA-N 427.571 0.868 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cnnn2)CC1 1539480900 GCSUBMGNRSXRHV-QGZVFWFLSA-N 427.513 0.562 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1544554737 QYQPCADDNPDLLT-CQSZACIVSA-N 431.522 0.423 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1556543451 AXIFAZWXFAWLPH-HKUYNNGSSA-N 430.553 0.420 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 1562193607 GUAIOAGBYOOUPM-UHFFFAOYSA-N 433.534 0.848 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588058674 AEAPZWDXMXKLNP-UTKZUKDTSA-N 448.520 0.786 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593735437 GPZACVYOECLEPH-UHFFFAOYSA-N 426.481 0.848 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595537156 MRTZUSRWQHBSPL-CVEARBPZSA-N 439.524 0.427 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1595723056 QNIUKBZBPUKHFV-DLBZAZTESA-N 425.555 0.989 30 10 ICEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1624728702 SGOKLDPQSPJTHK-HNNXBMFYSA-N 429.502 0.575 30 10 ICEE C#C[C@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1637744377 RRPADRGYKWUNJZ-LLVKDONJSA-N 435.271 0.333 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 1650846409 VUOUIAJHUVEJCL-UHFFFAOYSA-N 432.424 0.889 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1670882080 BZOCYPWJBKNDDG-ZDUSSCGKSA-N 430.527 0.107 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1670882159 FAQGQMWWTDFQAO-OAHLLOKOSA-N 443.566 0.951 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689995875 BLBCVUXLSRTACZ-QGZVFWFLSA-N 445.549 0.292 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1690113473 KPBYCDBAFDWTMV-JOCHJYFZSA-N 443.552 0.577 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1)C1CC1 1690545593 VAMSSZNZHXVXCZ-VQIMIIECSA-N 441.554 0.571 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1690672555 WASGUSFOXRPHAO-QGZVFWFLSA-N 449.533 0.964 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705558974 NLZDQILDIYOQFT-KRWDZBQOSA-N 447.565 0.605 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705563870 HGJRYULBLDHGAR-OXJNMPFZSA-N 431.518 0.772 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1705716320 HCKIAFBQTXTDAU-HNNXBMFYSA-N 438.558 0.683 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705908735 VCSIKRJJJGQIEA-NRFANRHFSA-N 434.541 0.585 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705908918 JHINJKIXLAHUBF-XFQAVAEZSA-N 432.525 0.195 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1722292557 ABEMTPPKBAUSRM-KHYOSLBOSA-N 437.522 0.570 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CC1 1722349958 HKPDUHUXPUQUMB-UHFFFAOYSA-N 436.563 0.885 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748801644 DDGUDORVRYUDJF-INIZCTEOSA-N 439.582 0.984 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811887 NHSQTXWNJSHALA-QGZVFWFLSA-N 429.550 0.848 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCOCC2)CC1 1749001692 YVXHAZYTSUKRCS-UHFFFAOYSA-N 430.553 0.790 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749670247 PBVRNPHJGDWAMS-INIZCTEOSA-N 431.541 0.858 30 10 ICEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1750062475 WTNNFXHOIOTEIP-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760382387 PBECLPIYSMMTTR-LSDHHAIUSA-N 431.584 0.870 30 10 ICEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1769063931 BQEXTZARUAPDIB-QFIPXVFZSA-N 439.520 0.497 30 10 ICEE C=CCN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)[C@H]1CCN(C)C1=O 1849009655 VEUNWLZTQGHJRY-ZDUSSCGKSA-N 426.461 0.340 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2=O)CC1=O 1856405107 OWHMSBZVRWIFIH-HNNXBMFYSA-N 439.921 0.875 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CCC)CC3)CC2=O)CC1=O 1857049803 XNVXBIFXVNXWJV-DLBZAZTESA-N 425.551 0.848 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2255748436 CGIGKQNJIDMCOX-UHFFFAOYSA-N 448.354 0.814 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)n1 2255841410 BOLDKKLQBYLHBC-UHFFFAOYSA-N 427.314 0.091 30 10 ICEE C=CCOC[C@H](O)Cn1c(NN=Cc2cccc(OC)c2)nc2c1c(O)nc(=O)n2C 2318436447 LXGSYTLLYZOKHP-CQSZACIVSA-N 428.449 0.854 30 10 ICEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468276396 CJWIKNGNKRAMGX-FQEVSTJZSA-N 430.486 0.004 30 10 ICEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C#N)c(SC)nc2O)C1 489181146 SYAZENMXBNLWAN-CYBMUJFWSA-N 428.536 0.893 30 10 ICEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506676120 JZXBXYIYHXUMBE-IRXDYDNUSA-N 431.541 0.242 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542217176 GEOLCPYEWKIKEP-UHFFFAOYSA-N 441.538 0.609 30 10 ICEE N#Cc1cc([N+](=O)[O-])c(N2CCCN(CCO)CC2)cc1N1CCCN(CCO)CC1 550786508 JPAOGBJTLXXITH-UHFFFAOYSA-N 432.525 0.475 30 10 ICEE N#C[C@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nc2)CCN1C1CC1 732651971 LMZLLBJJSUIJDE-PMACEKPBSA-N 433.516 0.706 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@H]1CCOC1 749863112 YUKUDEIMAQGQSR-MRXNPFEDSA-N 443.573 0.972 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774179172 MLCFSQMCXWRCTR-PKOBYXMFSA-N 432.546 0.720 30 10 ICEE C#Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 780560724 IZGSAVWOPBGIFU-HXUWFJFHSA-N 448.527 0.988 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 789320681 AGNAFMHOVGAKBF-UHFFFAOYSA-N 433.534 0.868 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc(OCC4CC4)cn3)CC2)o1 792842504 OZKXSGOTYXDZMA-UHFFFAOYSA-N 426.433 0.939 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814269060 NFAHRFDHXMGSBM-OAHLLOKOSA-N 438.527 0.515 30 10 ICEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@@H]1CCS(=O)(=O)C1 918754914 JIQDISARWJCKQF-CQSZACIVSA-N 430.573 0.724 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1175515350 YFCHOABKJCSIJN-KXBFYZLASA-N 426.539 0.245 30 10 ICEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCC[C@@H]1C#N 1196831710 MXKQMAFETVDTAG-SJLPKXTDSA-N 448.545 0.915 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286469349 DOHZVWBFOAYSTD-MRXNPFEDSA-N 443.533 0.115 30 10 ICEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286753325 ATCAWUZIBRGILV-RTBURBONSA-N 426.539 0.658 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)C1 1286799884 BILPEWUJGIRMMD-RHSMWYFYSA-N 448.549 0.817 30 10 ICEE CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287357757 XEWSELCDQNHPOL-IAFNSTAXSA-N 436.538 0.626 30 10 ICEE C=C(C)CN1CCC(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 1293024353 YSYSATFQXWDUPE-UHFFFAOYSA-N 428.942 0.874 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1300603662 VRFUOQHBXZYSLJ-QFIPXVFZSA-N 432.569 0.942 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1300666401 YGBYKDFEUXCDQI-SJLPKXTDSA-N 426.525 0.718 30 10 ICEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301259323 HIWRMWQDNBNGAQ-MRXNPFEDSA-N 445.549 0.374 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301496591 DLHMDFNNQMCFAS-INIZCTEOSA-N 428.541 0.670 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1301898785 GOTVRDNLGVBMQM-FQEVSTJZSA-N 441.536 0.736 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@@H](C)CC 1358890966 XWWKWYWDNCAAFO-IUVQAAGXSA-N 427.571 0.866 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnnn1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358956300 DFQZLKMVFNSFRX-GDBMZVCRSA-N 432.554 0.863 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OC)CC1 1359044373 DLWVXGUERSGONW-KRWDZBQOSA-N 437.504 0.647 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359304107 LTNGKMRYXLZDHQ-GOSISDBHSA-N 428.541 0.794 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1464747031 GXCPISVHJBCXEI-DLBZAZTESA-N 428.942 0.672 30 10 ICEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 1505323078 CIGVQIBORSXSNM-CYBMUJFWSA-N 430.481 0.692 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505336557 PCFIGGDNIGNMKY-HMWBCQRISA-N 441.517 0.768 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1507630882 JGPNNJIKWYDDQF-AWEZNQCLSA-N 428.465 0.935 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CN(C)C)CC1 1507722413 WHEYDCFFMQWBBL-INIZCTEOSA-N 425.603 0.231 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1508010189 NEVOKCNVLTTWON-CQSZACIVSA-N 431.584 0.892 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1510304426 VOZFZWQKZJCGFU-MRXNPFEDSA-N 428.518 0.966 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1519161055 FVUBHVHCLKCOFH-UHFFFAOYSA-N 433.557 0.991 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1524854852 YGQCAYLGTIYDGZ-RDJZCZTQSA-N 443.547 0.561 30 10 ICEE CC(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1541115703 DBYOMTGQVKYFTG-LSDHHAIUSA-N 441.558 0.122 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H]2C(=O)NCC23CCOCC3)CC1 1560176342 WEGMLUGYNLRGHT-QUCCMNQESA-N 429.496 0.419 30 10 ICEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1570239232 KAWUUFROPXQWTC-UHFFFAOYSA-N 432.499 0.124 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1587990267 UTISBXSNQGVUOG-UONOGXRCSA-N 431.609 0.529 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588733267 PXCWYIGSSFPMLS-LJQANCHMSA-N 430.601 0.198 30 10 ICEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1588741731 HQNGPBZCIMORGL-UHFFFAOYSA-N 435.554 0.438 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1618839787 FWEJBRLNORLHAJ-CYBMUJFWSA-N 440.551 0.494 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 1625436936 GRDLABJTIWXUBJ-QGZVFWFLSA-N 449.920 0.595 30 10 ICEE C#CCn1cc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 1663023761 NCDQLUXKQSRGHE-IBGZPJMESA-N 432.502 0.973 30 10 ICEE N#Cc1cn(CCNC(=O)N[C@@H]2COc3cccc(Br)c3C2)c(=O)nc1O 1675514883 RWTBVDPKCHMIDF-NSHDSACASA-N 434.250 0.886 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1689990828 SHBQYHREDIDPET-JKSUJKDBSA-N 442.563 0.010 30 10 ICEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1690179179 PMVZHPHIVVFKSL-UHFFFAOYSA-N 427.578 0.888 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705564977 DNHAXYQFVGAQLL-KRWDZBQOSA-N 427.534 0.624 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705565625 IJWZQZMXDHOBCN-IAGOWNOFSA-N 428.518 0.608 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1705596429 DMUJPQVAYAERFD-GOSISDBHSA-N 440.529 0.671 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1705904309 LUHPQNGOWIIWDV-CVEARBPZSA-N 441.554 0.113 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1705909139 OPRJHXRMHCGASH-GCJKJVERSA-N 448.568 0.391 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1710724818 RIZZGYGXVNCPKF-UHFFFAOYSA-N 429.481 0.501 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1712176613 ZMFQGDQNVHVWTP-RVKKMQEKSA-N 444.533 0.726 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722542664 FSNOOKSKPCFUJC-YOEHRIQHSA-N 432.978 0.942 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723194951 LKCZFXKPLQZSGI-HFUDNHEJSA-N 428.497 0.484 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1740601678 XZKNFHODMFULTC-INIZCTEOSA-N 432.550 0.843 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748730997 XRNJONLHIYWPSG-UHFFFAOYSA-N 427.553 0.672 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749681179 XXEKFKNKSXCEFB-INIZCTEOSA-N 440.504 0.979 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749829882 ACSKKHLXSBGILC-HZPDHXFCSA-N 426.543 0.430 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1750378806 MUFVWBMKIAFBON-KXBFYZLASA-N 438.529 0.929 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C(C)C)CC1 1760530457 PVLJUQDPMKCOKO-HKUYNNGSSA-N 448.568 0.999 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1760558695 XMLNQQOPWJSQNB-UHFFFAOYSA-N 435.554 0.840 30 10 ICEE CNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769360521 NRMUFOTUMVEXBG-ZMMDAZFZSA-N 444.496 0.117 30 10 ICEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1856429001 PVFORVDCUQBKMR-LJQANCHMSA-N 430.530 0.728 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1=O 1872994434 QNQONPCRZWCZGU-IRXDYDNUSA-N 442.491 0.884 30 10 ICEE C#CCN(C1CSC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258139941 ZVTOZHKXOAJOFW-INIZCTEOSA-N 426.516 0.835 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CC1 27560008 JBNPCVRXHDYICB-GOSISDBHSA-N 436.578 0.567 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 110629450 NNEZEZYRIAZLSN-UHFFFAOYSA-N 445.526 0.887 30 10 ICEE CS(=O)(=O)O[C@H]1[C@@H]2COC(=O)N2C[C@@H](OCc2ccccc2)[C@H]1OS(C)(=O)=O 381050159 GUNFRRUVPOHSNU-LJISPDSOSA-N 435.476 0.096 30 10 ICEE CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 505039499 OQCZNWGFURPSAI-SFHVURJKSA-N 426.473 0.792 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 514522284 LAZUGBUVZJLFMD-UHFFFAOYSA-N 430.530 0.110 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 603799748 VMHZTYIAVGJRMG-MRXNPFEDSA-N 431.489 0.494 30 10 ICEE O=C1CN(c2ccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2Cl)CCN1 732419252 CSVUNYZJTLPLBD-ISLYRVAYSA-N 432.868 0.924 30 10 ICEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706086 DOJRDPQCKAKEFB-YOEHRIQHSA-N 449.533 0.137 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2nnn(C)n2)C1=O 782823230 XRMWCVRBKGFVBA-CQSZACIVSA-N 434.501 0.549 30 10 ICEE 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)OC 1141998066 HGWIREACQGBJHR-APIJFGDWSA-N 428.507 0.338 30 10 ICEE CCN1CCN(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C(=O)C1=O 1146289275 CVYAXOXIRCEGSD-UHFFFAOYSA-N 435.488 0.288 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 1235517532 ILQSDTNYQOXKCY-GOSISDBHSA-N 433.534 0.591 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286818965 VCNIMHJRLVKPQN-OAHLLOKOSA-N 447.565 0.774 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286821530 OHAHPTHITINOBJ-UHFFFAOYSA-N 425.555 0.517 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1299302027 JZDYPMBUZQXHEZ-LJQANCHMSA-N 429.506 0.082 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300500588 BZBXEZKVOLBOEX-OXQOHEQNSA-N 437.566 0.578 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1300509637 QWIHGLFHAKRKPG-IAGOWNOFSA-N 444.565 0.364 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1300578068 GQZJLAKROZKABN-LJQANCHMSA-N 442.545 0.826 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963838 OUXLINPWDBIHHY-IRXDYDNUSA-N 438.550 0.340 30 10 ICEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1472602583 BYPSBAHTSPQRQO-JGVFFNPUSA-N 428.326 0.971 30 10 ICEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503927973 FGMSQNUFOXMNFM-CABCVRRESA-N 448.553 0.516 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1507549719 MHNMMHGBMBQLFB-NRFANRHFSA-N 443.529 0.761 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C)CC1 1507902580 KSAMYWWPZBBCNV-RDJZCZTQSA-N 426.587 0.964 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508093114 TXBSZUSMWUWWGI-JOCHJYFZSA-N 435.488 0.747 30 10 ICEE CC(C)Cc1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509226780 MPEANJBCEFBEBI-ZBBYCGENSA-N 429.525 0.524 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1510110074 DHWDVYWFPIOKBY-ZDUSSCGKSA-N 425.536 0.731 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1519409796 OTRZLXKQPDYLAZ-NCOADZHNSA-N 440.570 0.879 30 10 ICEE CNS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1554511588 GAESRRASWPERFU-SJORKVTESA-N 430.506 0.310 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1562523309 GKXLWULNDRVWFL-QGZVFWFLSA-N 449.577 0.993 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1587706582 RFOHRJCRWMSUBI-LSDHHAIUSA-N 431.584 0.705 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1588078807 MTMPMULNBWUXMR-ZZEZOPTASA-N 444.455 0.525 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595562001 KLMZHYANHJHFDS-UHFFFAOYSA-N 447.565 0.426 30 10 ICEE C#CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cn1 1640012798 MBZOKQDXPWLESV-SFHVURJKSA-N 432.502 0.862 30 10 ICEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(S(=O)(=O)N(C)C)c1C 1648787489 QMPBQSRUWGVLTI-UHFFFAOYSA-N 431.474 0.385 30 10 ICEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1C(=O)OC 1656493515 QWZMEAMBPKAWQD-OTWHNJEPSA-N 446.479 0.429 30 10 ICEE CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1=O 1660365650 CXWZDNIQFKFJDM-UHFFFAOYSA-N 430.490 0.514 30 10 ICEE C[C@H]1CN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C[C@H](C)O1 1666279222 DYMGNPCENDQHOD-HOTGVXAUSA-N 440.504 0.929 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 1668891152 XVOXKCZGODGSIX-UHFFFAOYSA-N 445.501 0.310 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689989740 IDVKDSANLQHBQU-SJORKVTESA-N 438.550 0.340 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2)CC1 1690137602 DNFQOHHBSLZKQQ-JOCHJYFZSA-N 441.536 0.678 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1690678075 JXBLJTYYDWEHIS-YOEHRIQHSA-N 428.484 0.691 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1697617491 CCKMHMWZAVPPIL-IERDGZPVSA-N 428.493 0.661 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1698443675 VVBNSMISPUDOPT-ADAWSYLGSA-N 442.517 0.478 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1711273708 FQJWDIURAKQRIQ-VQTJNVASSA-N 448.524 0.857 30 10 ICEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOC2=O)CCO1 1712886038 GPWWQXIXYQXUFE-CQSZACIVSA-N 445.505 0.841 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722363218 ZJWHVZWGTGWPGW-BRWVUGGUSA-N 430.534 0.913 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1O 1729782449 FKPNTEAKQNCXTN-JBYIUTFZSA-N 440.504 0.244 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1730945935 JEYUGHFXQOEFPC-AUSJPIAWSA-N 436.488 0.726 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1740548937 CLNSPYOVCCURHV-BZSNNMDCSA-N 438.598 0.801 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1740601679 XZKNFHODMFULTC-MRXNPFEDSA-N 432.550 0.843 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627238 FOWRPKUTHVHHHM-CHWSQXEVSA-N 449.455 0.435 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)CC1 1740696485 VOFNYPYKVRVPEI-HNNXBMFYSA-N 428.946 0.119 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1740793353 RUOVIXWTPKQLDL-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740960227 NRNHVDJFYYSXMF-ZBFHGGJFSA-N 447.565 0.730 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743780549 RPCYQPSTVDRJQP-XSAFGROZSA-N 429.525 0.839 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1748801931 KGUHXDKNYJDQMS-GOSISDBHSA-N 445.545 0.584 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1748821148 MPIMAWLWNGSGJD-QGZVFWFLSA-N 446.508 0.610 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749659221 YOBLZRWQTZAVQN-HNNXBMFYSA-N 443.533 0.589 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1760187674 LHCOFIMMPFDSGC-LSTDLKDCSA-N 447.561 0.837 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760358048 QVZHOBYIAPUWPZ-IKGGRYGDSA-N 437.566 0.735 30 10 ICEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718789 OWKVNEQXXHIBMM-OAHLLOKOSA-N 426.473 0.870 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 503629011 RREJZKBLXMSLFR-UHFFFAOYSA-N 434.518 0.874 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC3)C2=O)n(C)n1 509217039 IWJMKOWBQBPQQO-DLBZAZTESA-N 437.570 0.320 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 729330801 FFNWGPFCIFYLRX-OAHLLOKOSA-N 428.532 0.403 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732560924 CLCDEDSBJLRPCE-MRXNPFEDSA-N 429.546 0.580 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)cn1C 752053204 DNMIHONNUZIYEV-OAHLLOKOSA-N 432.502 0.861 30 10 ICEE N#Cc1cn(CC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(=O)nc1O 1147283304 GMVFTVKNGQBQNV-UHFFFAOYSA-N 441.879 0.856 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@@](O)(CC#N)C3)CS(=O)(=O)[C@@H]2C1 1163163215 QNXXEPRBDMEYGX-GPINWOSQSA-N 427.523 0.534 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)CC1 1286477190 RAIUYXWNMJJHGH-UHFFFAOYSA-N 430.516 0.849 30 10 ICEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286709921 IHGCMXOCBGCUBK-INIZCTEOSA-N 425.493 0.388 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286822121 HILFYBJQTARIKU-ZWKOTPCHSA-N 444.561 0.922 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1286832139 PHUUDZOOFCDHPU-AWEZNQCLSA-N 431.584 0.755 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298691200 MVPWIWDPLGRDNW-CYBMUJFWSA-N 441.535 0.564 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300492070 LPUOFMXQJURHIO-NCOADZHNSA-N 435.550 0.671 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300494947 ACGOMSOZXXKADJ-DOTOQJQBSA-N 431.518 0.861 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1300537350 FHXNCYAEOIQNBK-QGZVFWFLSA-N 435.550 0.501 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCC(C)C)CC1 1300682836 KDYPZQDELYODSN-PXNSSMCTSA-N 440.614 0.831 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301518057 DCQBEOTVERXKSZ-AVYPCKFXSA-N 435.481 0.735 30 10 ICEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1309733627 QBZJGXMQBIQJNY-MRXNPFEDSA-N 430.548 0.723 30 10 ICEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315149767 GCOLJDMLVASPGI-HUUCEWRRSA-N 448.553 0.516 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359046939 LITIKUIWJXUJOZ-SFHVURJKSA-N 442.564 0.691 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1359400160 CNMQMISPHDXZHC-FQEVSTJZSA-N 434.504 0.710 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1360684153 LFLVLWQLCPLREM-SCLBCKFNSA-N 441.533 0.637 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)C1 1471336105 JMRSGJHOLBNRRI-WOJBJXKFSA-N 441.580 0.649 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1507710230 DGBOAQWHJBRTND-HNNXBMFYSA-N 444.579 0.091 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508146609 ZUQHVTUERHWFGO-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE CSc1nc(O)c(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc1C#N 1537343451 FGDBFBFXBILSKC-UHFFFAOYSA-N 433.490 0.942 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539179665 QWKCUDMJDIMGOJ-CVEARBPZSA-N 444.565 0.750 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1539231525 SWIDSPDPGOAKEX-QFBILLFUSA-N 441.623 0.879 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1)C1CC1 1540108730 LLTYNOPWDVUNMX-CQSZACIVSA-N 439.567 0.974 30 10 ICEE C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1542438667 PMBUQGRITUADHY-QGZVFWFLSA-N 437.541 0.529 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594783847 KEFONDLJAHFJTE-KDOFPFPSSA-N 426.543 0.197 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)s1 1625085700 DURJFZOVWLJFIB-QZXCRCNTSA-N 442.588 0.821 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1636512611 MSMWNCHEFVXEJQ-BOFPYLFWSA-N 443.497 0.359 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)CC1 1674338879 SCRYGXSJHQGMCA-UHFFFAOYSA-N 428.536 0.486 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1705580119 DESYBGNEJMZYPJ-UHFFFAOYSA-N 442.545 0.853 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1722294334 GVCGXHVYUNAJPV-KSSFIOAISA-N 449.533 0.831 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1722368633 SJBRQVTXTKIAMA-HOTGVXAUSA-N 435.550 0.815 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2C)CC1 1722432658 BYLMIGNKTUJNEO-UHFFFAOYSA-N 430.314 0.968 30 10 ICEE Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724326831 JISJLKSYXJSFHC-FBMGVBCBSA-N 430.490 0.942 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740627773 SINNYVGMMVWLOI-ZBFHGGJFSA-N 435.506 0.591 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740628796 UOGXNNFQEJYJQV-JKSUJKDBSA-N 435.550 0.802 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)nn(C)c2C)CC1 1740705618 JQCKCGOMVGWMCU-SFHVURJKSA-N 438.536 0.594 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740959744 DNAWIDNOYZJILJ-PBHICJAKSA-N 449.533 0.962 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1749353867 CDHVBTYRLMWAFM-ZIAGYGMSSA-N 428.559 0.442 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)C1CCC1 1751207463 BQYSQIKHSSVTIB-AWEZNQCLSA-N 437.570 0.935 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N1CCSCC1 1760094920 APRMGESXZUSZCX-AWEZNQCLSA-N 428.584 0.253 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760155402 XLFVCCAGMCASPY-AEFFLSMTSA-N 447.565 0.752 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1761501238 FNOAASZBOKEQDQ-MYXHWSLCSA-N 432.572 0.164 30 10 ICEE CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1769182963 FVZXGJSTPYQGOO-BFUOFWGJSA-N 449.512 0.738 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)[C@H](C)C2=O)CC1=O 1854141546 CBGPOSREMVDGJH-HUUCEWRRSA-N 437.493 0.917 30 10 ICEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C2)C1 1856871800 DSQVEVHHNZXKEM-GOSISDBHSA-N 434.562 0.872 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2141243202 DZZUBZXRILKPAP-ZDUSSCGKSA-N 449.317 0.873 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 27165483 ICKBQAYPKKJPID-UHFFFAOYSA-N 434.562 0.921 30 10 ICEE CC(=O)OCC1=C2[C@H](OC(C)=O)C[C@](C)(OC(C)=O)C(=O)CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O 256301996 JNLNEIIZZQABDP-RATCPTGTSA-N 438.429 0.936 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 439898750 GMGUPIIOMQZEKU-MWDXBVQZSA-N 436.486 0.716 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460394706 OSNMFKNTSQXDSQ-OAHLLOKOSA-N 449.585 0.647 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604001846 VWGMCKMZZGWTPA-UHFFFAOYSA-N 445.504 0.821 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O 729672875 MKJSZFWSJVXKST-UHFFFAOYSA-N 444.538 0.330 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 732464980 BAMHRVXUBXPANG-ISLYRVAYSA-N 433.415 0.959 30 10 ICEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N(C)C(C)(C)C#N)CC1 756144000 UUGSMBAPUZHVDS-UHFFFAOYSA-N 425.511 0.731 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 769104487 CXHOLLWSDKSTQL-JDGZLABWSA-N 427.505 0.695 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(C(C)(C)C)n1 769636594 BSGFJKCVQVBCEM-UHFFFAOYSA-N 426.546 0.300 30 10 ICEE C#C[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)[C@H]1CCCO1 776225212 AFNCFYRTTKGRKP-GBESFXJTSA-N 428.537 0.732 30 10 ICEE CC#CCS(=O)(=O)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 810777472 CVYPJKYNVXKSDH-OAHLLOKOSA-N 430.504 0.185 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286395266 MKFNFOBTCSEDEJ-HNNXBMFYSA-N 448.574 0.840 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1286416646 UCZIMGTWUOGTAT-MRCUWXFGSA-N 432.488 0.739 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1298743761 QGVIFYJDEDOCFC-IBGZPJMESA-N 434.522 0.608 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358964711 FMRVBLHXLHOQIE-LJQANCHMSA-N 439.545 0.981 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359291561 VKZYUJXVEYBCHF-CYBMUJFWSA-N 431.463 0.791 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359461633 DCWCKFVFFOGXDN-QGZVFWFLSA-N 438.492 0.469 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)C[C@H]3CC(=O)OC)n[nH]2)c1C 1471015063 ZWGUSMUNAYPPGN-CQSZACIVSA-N 435.506 0.878 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CC1 1478940749 BEVDGYPBROAKOQ-CQSZACIVSA-N 426.461 0.671 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1504887876 FRGCAJMBPSPJPM-AWEZNQCLSA-N 426.543 0.809 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1507687249 LUBPTXUZOSCHMQ-UHFFFAOYSA-N 449.515 0.993 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccn(C)n2)CC1 1507737061 XPYQXWJPJOIMIY-QFIPXVFZSA-N 441.536 0.678 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1508374661 PBMNHQCAFVTOIE-SIKLNZKXSA-N 440.504 0.964 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(C#N)o1 1510182493 FPPNPGJTXZKODK-AWEZNQCLSA-N 437.526 0.170 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1COCCO1 1519285657 SDSQUUWOFCSSPN-PBHICJAKSA-N 444.492 0.952 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCN2CCOCC2)c2ccccc2Cl)C1=O 1535456344 HEUARVSCJUFKLO-UHFFFAOYSA-N 434.880 0.982 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1540005590 MEHIGXBHFZZFTD-HNNXBMFYSA-N 442.586 0.928 30 10 ICEE CCn1c(CCC(=O)N[C@H](C#N)CO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1556607126 AWMAJOFQLSYPFA-CQSZACIVSA-N 435.506 0.010 30 10 ICEE Cc1ccc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1S(=O)(=O)NCC#N 1638730045 QXMDVLNJMDDSNR-UHFFFAOYSA-N 436.534 0.408 30 10 ICEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1682986318 AQEYSIOSEXFWKD-UHFFFAOYSA-N 444.579 0.952 30 10 ICEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705533743 QWWNISMJHIMDPV-GOSISDBHSA-N 444.536 0.441 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705565186 GWCXFFKGGRNSDP-ZIAGYGMSSA-N 436.563 0.871 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1705623607 XZTWVWQECXJCPR-ZWKOTPCHSA-N 448.545 0.975 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CC1 1705639525 QCMTVKQGAKEFBY-SFHVURJKSA-N 429.546 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccs2)CC1 1705647720 IUNXVZGQHYQUIY-OAHLLOKOSA-N 448.574 0.651 30 10 ICEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722603255 HLYIEHXBWLFQEH-SFHVURJKSA-N 446.552 0.646 30 10 ICEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723708058 QIZCFUGECDPKIQ-RDJZCZTQSA-N 439.586 0.880 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1727606884 DXVNLKPVQONIFT-KRWDZBQOSA-N 438.536 0.929 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)C1 1731180418 BBYSSJWKLFIQHP-GRDNDAEWSA-N 445.542 0.589 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1740627020 DOUXWAFGRBVNSJ-KRWDZBQOSA-N 433.534 0.671 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC)CC1 1740704176 JKADALYSVPQVRH-UHFFFAOYSA-N 430.534 0.741 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)C1 1740982816 XHVNBTALBZISAN-FCEWJHQRSA-N 426.539 0.767 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1748983731 AMHLQAOPQYDVLW-UHFFFAOYSA-N 438.532 0.991 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750971468 PKISAPDNTGWHNH-CWFNNOHCSA-N 445.524 0.804 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nnc(C)c(O)n3)CC2)nc1C 1859430641 FUHDZKGZQVNNAI-UHFFFAOYSA-N 433.494 0.754 30 10 ICEE Cc1c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534453 HZEYOCGALINBQQ-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631093 UBIBEUPOOCBQPI-FQEVSTJZSA-N 436.318 0.811 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)n1 2268986953 XGVFYUWWNXNQIX-OAHLLOKOSA-N 444.297 0.904 30 10 ICEE C=CCOC[C@@H](O)Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 2328609038 UTWYUWDEKHPPGL-AWEZNQCLSA-N 443.420 0.753 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](CC)C1 508922608 RJJIKVPJEIRUHJ-DLBZAZTESA-N 442.586 0.344 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCN1CCOCC1 512737823 JPNBTACDWGWMFT-MRXNPFEDSA-N 443.573 0.577 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 543361762 UCYSPXHVYFCCNR-KBXCAEBGSA-N 427.486 0.932 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)n1 544849306 RLNGQHWCIHDBJT-UHFFFAOYSA-N 425.537 0.729 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CC1 605413619 PMSUFBDWWJANBV-UHFFFAOYSA-N 445.520 0.619 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 729331179 KHSYGNZNYWBRNC-SJORKVTESA-N 440.543 0.406 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)C2=O)cc1 766106392 ZNLOOZBCVUTYSM-ZWKOTPCHSA-N 440.456 0.944 30 10 ICEE COC(=O)[C@]1(OC)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1167265810 VVWMHYATKHHYKX-QRWLVFNGSA-N 437.518 0.930 30 10 ICEE C#CC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OCC)cc3)C2=O)C1 1198451990 WTFGOPXVKTWWJR-GZTJUZNOSA-N 429.498 0.918 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286393116 JNIKOBPHYPVQDN-SFHVURJKSA-N 444.561 0.805 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286556431 PEHXDCRQYGXOKZ-WPECMILSSA-N 433.509 0.571 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300428911 SVDUIWMCWDJTEU-ULQDDVLXSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300491320 GYMKXWDOAHZWFL-INIZCTEOSA-N 441.579 0.208 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1300578967 QWIZZTYDJWDSLY-WFXMLNOXSA-N 449.577 0.625 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300885634 RIRCACMTFGGJME-VXNCWWDNSA-N 432.525 0.552 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CS(=O)(=O)Cc2ccccc21 1301280688 UGCHOFMKZCKXAB-INIZCTEOSA-N 433.511 0.901 30 10 ICEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301911860 NFOVNVWDIWNXAC-FMQUCBEESA-N 431.541 0.771 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)CCO1 1315006768 HPLSGGJBRBLZLT-IBGZPJMESA-N 441.536 0.736 30 10 ICEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1351734662 ADSCKLVUODFTRU-MRXNPFEDSA-N 430.490 0.910 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1358948983 QDNRGOAQNZATQG-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1359025545 RVVOUSCBSVWQLW-HZPDHXFCSA-N 425.555 0.743 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCCC2)CC1 1359044526 IJUNLPAMSGHZAF-KRWDZBQOSA-N 428.537 0.890 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)s1 1465936548 KWDBIIUOLRBODE-UHFFFAOYSA-N 447.604 0.828 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508094089 FZEVBEAHMNEAGW-QGZVFWFLSA-N 433.534 0.825 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1539452313 ONVQGZSHKRRMMK-ROUUACIJSA-N 437.566 0.131 30 10 ICEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1539510138 FJBQOOUPVHJDKU-CQSZACIVSA-N 437.529 0.870 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1540869785 WUZWLEMOLAWQIT-QGZVFWFLSA-N 425.493 0.564 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540903154 ZNMULMNCPXAKMD-MRXNPFEDSA-N 437.566 0.878 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1555721812 QDQQBJQWCKCWTQ-INIZCTEOSA-N 448.549 0.950 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1588046036 WBVNHTNLPQYWGU-IIBYNOLFSA-N 447.536 0.778 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1588984857 KYXWMXMTPHWERJ-ZDUSSCGKSA-N 442.567 0.334 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595477009 PXOTVYHQWOGDHG-MRXNPFEDSA-N 431.541 0.365 30 10 ICEE Cc1cc(C)cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)N4CCC(C(N)=O)CC4)[C@H]3S2)c1 1614399351 HGBBOGKQPWGSGN-FVVUREQNSA-N 446.573 0.830 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1619912532 GADIWAXKWOIHLZ-KRWDZBQOSA-N 448.549 0.602 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2ncc(I)s2)CC1 1621494726 BAVZHYOVAJFQHS-UHFFFAOYSA-N 426.305 0.333 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C[C@@H]4CCCS4(=O)=O)CC3)cc2C1=O 1634781840 AKBOQDGKKLFNJU-INIZCTEOSA-N 431.514 0.804 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 1665179414 NNVKOBOBVACPFZ-UHFFFAOYSA-N 436.559 0.680 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 1669378111 ZROSWNCCHUVELB-UHFFFAOYSA-N 438.510 0.500 30 10 ICEE COCC(COC)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672352091 BZNNPVUJJAPFFN-FQEVSTJZSA-N 429.521 0.648 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1690237301 XNEDEIOMICPQNW-AEFFLSMTSA-N 434.541 0.693 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1690244201 UVLMKXCAPJPRNR-VQIMIIECSA-N 429.525 0.955 30 10 ICEE CCc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1Cc1ccc(C#N)o1 1694748418 AEADOIIBNIJCSL-UHFFFAOYSA-N 444.521 0.906 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1705477118 JLKPNVIYKKMLEX-IAGOWNOFSA-N 439.630 0.620 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@](=O)CC)CC1 1705643692 PASXDYYEURJPLT-SSEXGKCCSA-N 434.566 0.249 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705825617 YEHUUTLNFRJIOJ-INIZCTEOSA-N 440.570 0.577 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705905263 PIJYXMWVKURUOX-SFHVURJKSA-N 442.520 0.521 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1705939485 FFGIXUJUIFAMQP-ZDUSSCGKSA-N 432.572 0.696 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1722416607 NQDJGCJKDRDGSI-UHFFFAOYSA-N 436.563 0.765 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740961259 QUXGXRBIFFAPHG-UHFFFAOYSA-N 440.552 0.989 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748821288 ODXRJSCWWKMESJ-DLBZAZTESA-N 436.559 0.973 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1769550894 DOQHAJKLAGJJJA-KNQAVFIVSA-N 442.520 0.946 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1770728890 VCSBZZYUXSEDNF-QFBILLFUSA-N 440.545 0.735 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)CC1=O 1854494419 HXVYLUSHYPHFQS-IRXDYDNUSA-N 437.562 0.582 30 10 ICEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CSc1nnnn1C 1870291188 PKHIXUAXKBCOBC-UHFFFAOYSA-N 435.554 0.687 30 10 ICEE CCOC(=O)[C@@]12OC[C@@]34[C@H](C[C@@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@@H]3[C@H](O)[C@@H]1O)OC(=O)C[C@@H]24 257397326 CMVMKMSNNMBUMZ-OVCPYPSSSA-N 436.457 0.419 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 460655028 HSDBQFZGOBHQAA-SFHVURJKSA-N 448.549 0.577 30 10 ICEE C=CCNc1nnc(S(=O)(=O)CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)s1 479010061 KQGRHJDPSGJFTQ-GFCCVEGCSA-N 436.581 0.581 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 483608044 QAGBKYRAJKUSCG-UHFFFAOYSA-N 445.520 0.376 30 10 ICEE COCc1nc([C@H]2COCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 488260737 CMDDZVIAFQHYQV-DLBZAZTESA-N 440.460 0.972 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540696972 BFOHYALKICPFQK-UHFFFAOYSA-N 428.514 0.440 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CCN1CCOCC1 543722540 MJGVPCUVSGXHFA-UHFFFAOYSA-N 446.960 0.453 30 10 ICEE COC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)c(C(=O)OC)c1C 586347131 JVSUDLMNEYVJMR-GDLZYMKVSA-N 443.503 0.689 30 10 ICEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C(=O)N(C)C)cc1OC 732706127 GLRMIYHZPSPGFE-AWEZNQCLSA-N 429.477 0.543 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758074955 DASDWVUZNQGKQA-UHFFFAOYSA-N 428.857 0.910 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 1154245987 CWQPBZJKCIDXKX-HLLBOEOZSA-N 430.486 0.656 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1286350304 ZARQNLPMYXZIQR-SFHVURJKSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286389108 FVDRVKKWXAYUHJ-OXJNMPFZSA-N 444.517 0.806 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286602222 VQWRXTJNHCZSIE-HNNXBMFYSA-N 433.513 0.482 30 10 ICEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286831795 CYOABCANEDOMQP-KRWDZBQOSA-N 448.593 0.972 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CCO1 1315006527 FIHAWULDYLYTLZ-GOSISDBHSA-N 449.471 0.791 30 10 ICEE Cn1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(I)n1 1357282729 MEYVUTGOYWQYIO-UHFFFAOYSA-N 427.206 0.708 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1358978031 BSZIKNVNOTUVTC-MRXNPFEDSA-N 429.502 0.714 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1359036831 KMMOARYEHTVUHZ-UHFFFAOYSA-N 429.550 0.055 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359131335 PWHFMLCULAEUKK-UHFFFAOYSA-N 442.524 0.902 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359221644 JBFPXXBEIWIZFS-UHFFFAOYSA-N 433.513 0.530 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1(O)CCOCC1 1360692816 ABIPPRSDVDTXFV-CRAIPNDOSA-N 440.570 0.950 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)ccc1F 1461022442 OTYFZJKEHRFEBQ-AWEZNQCLSA-N 427.454 0.184 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CCO1 1505323004 VBBQNJDZXRHUNR-HOTGVXAUSA-N 436.538 0.215 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507572895 ADSZQBGAZIWPMM-OKZBNKHCSA-N 438.598 0.849 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)CC1 1507722126 PSPRSOWINZXNRH-KXBFYZLASA-N 436.538 0.144 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)O)CC1 1507738324 NGFIDOXZNCDKJV-UHFFFAOYSA-N 428.493 0.743 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1508038897 MBVIBGKMBAKOTF-MRXNPFEDSA-N 439.542 0.032 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508085810 HPEUTOSKSVZRSE-MRXNPFEDSA-N 444.540 0.258 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1508108092 HTNATCWVYIXHBN-HNNXBMFYSA-N 428.497 0.449 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508130039 GHFBVGREVMOFTQ-UHFFFAOYSA-N 447.565 0.823 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)COC)CC2)nnc1C(C)(C)C 1508149024 NMXCYARTRJNFCH-UHFFFAOYSA-N 427.571 0.908 30 10 ICEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558510975 JVACMJUOTVTQMC-RCBQFDQVSA-N 433.408 0.015 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1564645130 YNYZHWHGSRCAHT-YRNRMSPPSA-N 432.502 0.246 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053506 FHDDYMLZKSOCLW-SJORKVTESA-N 434.566 0.342 30 10 ICEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1588629102 XSTCLIXBCYWDQL-UHFFFAOYSA-N 447.565 0.803 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594803284 REXMXSPWRZNVHK-UHFFFAOYSA-N 442.524 0.199 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595595724 YNNJAJUOIBIGOY-SFHVURJKSA-N 447.584 0.640 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616184641 BFMSOYYEZIUQHO-YWZLYKJASA-N 431.497 0.658 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)s1 1624757474 YMIXHCZYQCGNML-CQSZACIVSA-N 440.591 0.566 30 10 ICEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1634656812 YSPLCTRRPVVXDC-VKJFTORMSA-N 440.547 0.323 30 10 ICEE CC#CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1640793932 HAUJGGBSYYJITD-CQSZACIVSA-N 445.335 0.974 30 10 ICEE CC(=O)NCC(=O)N1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1644102941 UNDHKGTZMORHCS-UHFFFAOYSA-N 438.450 0.844 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 1679703802 WWSIEKPWQKDTTL-HNNXBMFYSA-N 429.543 0.085 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 1680637581 GJYXJZVNJCNJJA-AWEZNQCLSA-N 443.932 0.853 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982288 KJKQOAWTGNMLCO-SFHVURJKSA-N 440.529 0.922 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1690672672 ZKDOLQSLWHGUSC-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705737161 LFYBUUGMCOGFLM-CVEARBPZSA-N 425.555 0.735 30 10 ICEE C#CCSCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1722463996 RRULOABWDIKVCB-HXUWFJFHSA-N 437.566 0.592 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1722473691 HJAMCQUQNRGEBJ-HNAYVOBHSA-N 434.522 0.882 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC)C1CC1 1722650444 ATOWPDAWDSZDBU-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1740954199 FUDXBQQDTCVMDK-UHFFFAOYSA-N 428.453 0.617 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740959712 DAQJAEFNSSTXPP-SFHVURJKSA-N 445.568 0.219 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740963871 ZQLQZGJPCMTBQI-KDURUIRLSA-N 444.584 0.987 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1748640858 XOUPLDKPJTVEJX-CABCVRRESA-N 428.522 0.975 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1749740666 XKYSYHXXRNLWNS-HNAYVOBHSA-N 442.538 0.530 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760184960 NDGSSROSNLHAOR-IAGOWNOFSA-N 443.529 0.859 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1760248565 BYEGBLNOHHLNBQ-HNNXBMFYSA-N 437.497 0.879 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760527697 FYQIHKLVCOINFJ-MRXNPFEDSA-N 432.456 0.250 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760555231 AJXGQJZAZDYQPL-GJZGRUSLSA-N 434.584 0.642 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1766719243 SJFGNHTXSPJZCN-QGZVFWFLSA-N 448.549 0.936 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=CCC1 1770832829 JLSCYJDFAICQBR-ZFDMEJTGSA-N 432.506 0.473 30 10 ICEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)cc1 29067648 QPTLPWYISZAGKZ-UHFFFAOYSA-N 443.548 0.808 30 10 ICEE CCNC(=O)N1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472155430 KELOLGHTUSJGSU-QGZVFWFLSA-N 433.534 0.879 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 513784842 AGCHOWRGKAAJGS-UHFFFAOYSA-N 442.545 0.781 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 603797378 DDUNKIOLEHUXCO-KRWDZBQOSA-N 443.500 0.590 30 10 ICEE C#CCN(C(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CCS(=O)(=O)C1 729334712 UHYDIYKFNBZRJI-CYBMUJFWSA-N 441.303 0.823 30 10 ICEE COc1cccc(CC(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 732465667 HQEDTNQRQGOLSK-QZQOTICOSA-N 441.488 0.618 30 10 ICEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CC1 732698639 CJXFBIMZEHWFJD-GOSISDBHSA-N 432.550 0.827 30 10 ICEE N#CC(C#N)=c1sc(=Cc2occc2Br)c(=O)n1CCN1CCOCC1 735294548 AFHFEFKQNPCWRJ-UHFFFAOYSA-N 435.303 0.624 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccccc1 743725664 WVBPYRWFEDNMBE-UHFFFAOYSA-N 440.550 0.989 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 803846298 YEBJEVWMMYBVBV-UHFFFAOYSA-N 444.469 0.447 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1C[C@@H]1CCCO1 917768677 SBWWQCYGCPHUFR-AWEZNQCLSA-N 433.917 1.000 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)n1 1156618774 TUCLOLIQUFAWIP-FPOVZHCZSA-N 442.491 0.835 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)F)CC1 1286472558 JLUTXFSPWLURAX-IBGZPJMESA-N 426.468 0.067 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286493975 YEUPPKOMVRORPA-MRXNPFEDSA-N 437.566 0.605 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC=C)C1 1286808425 BSAKCLJLCYJXCG-HZPDHXFCSA-N 444.579 0.562 30 10 ICEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1301510212 UROSIWCRBNCPNN-SFHVURJKSA-N 437.504 0.535 30 10 ICEE CSC[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1349455365 AGVWJFINNRDKGW-UMVBOHGHSA-N 446.533 0.963 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CN(C)C)CC1 1359044754 NSIPVISXHBYVFU-QGZVFWFLSA-N 429.569 0.783 30 10 ICEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1359051422 WBUDWWMBBUTIOH-UHFFFAOYSA-N 433.559 0.993 30 10 ICEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c1 1439613221 JHENQIVONDOGTG-YRVVQQKDSA-N 433.486 0.453 30 10 ICEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1457953471 RFBJDJMKQTUCTI-UHFFFAOYSA-N 431.536 0.054 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1503373848 HLZUELHSRUEMTH-JKSUJKDBSA-N 426.433 0.931 30 10 ICEE CNC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1503827376 ZNVZPQYCXPQBNZ-FBMGVBCBSA-N 428.497 0.533 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508097182 OAETZLSARDLTRP-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511896492 ANTKNYNXOMWCHZ-VRTBNJGNSA-N 442.524 0.695 30 10 ICEE CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1515507210 HFJLCBJKESFVQP-ZACQAIPSSA-N 441.602 0.937 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C2CCCC2)CC1 1539432296 ZRVHNDMDDCIGPC-QGZVFWFLSA-N 437.614 0.518 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540874485 IESWAOWNTKZQHQ-HUUCEWRRSA-N 448.549 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540902369 HUNSKWBZGMKZIH-CABCVRRESA-N 432.568 0.744 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1=O 1555584322 DJVMFZYVPNBGSD-OPAMFIHVSA-N 440.504 0.652 30 10 ICEE C[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1S(C)(=O)=O 1555957290 YKZJXVMLGLWKAK-VDMFXUGISA-N 449.537 0.152 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1587847562 NNUGCXAZTWRSBS-QGZVFWFLSA-N 435.488 0.557 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588024592 HMRHQGZTJFFBLE-ROUUACIJSA-N 448.593 0.481 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595466176 FXAPWIGUJBXPCU-SFHVURJKSA-N 444.584 0.033 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595466810 NEENZOHSMPCSDG-HNNXBMFYSA-N 428.497 0.892 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1620110885 DRLXKVOSEBVVBU-ULQDDVLXSA-N 439.538 0.556 30 10 ICEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1623197187 DEMNNTBWOBXOSK-KSSFIOAISA-N 428.468 0.598 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 1638566805 SGLLYFKQUVJWNV-UHFFFAOYSA-N 435.568 0.811 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1 1638876003 QZGCRPFVQYRGGT-UHFFFAOYSA-N 430.552 0.152 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 1665750724 OVTGEEDANSBDJU-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689907909 PLVHTSLJROWFGL-UHFFFAOYSA-N 436.520 0.748 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1689988060 IIQVJSMNUNWCQU-GJZGRUSLSA-N 448.574 0.864 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690668108 SMMZHYOKOIMIQA-KRWDZBQOSA-N 440.552 0.679 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705560641 MFUWZLRRYJFQHD-HOTGVXAUSA-N 426.539 0.544 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705901505 NPTWUXGMRSTKEU-KRWDZBQOSA-N 443.552 0.760 30 10 ICEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1706349221 JMDBFGUIZUMRDC-RPKKRIRMSA-N 443.508 0.617 30 10 ICEE CS(=O)(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1712696766 BWHIIUXDOPAGHH-HNNXBMFYSA-N 429.568 0.745 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1722532904 ZYDUYKCVLIMLRI-UHFFFAOYSA-N 446.508 0.894 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722728114 OFLFBRXBDLYEGU-YJBOKZPZSA-N 444.579 0.398 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1729594741 BBLAVJSLLGZPTE-OAQYLSRUSA-N 444.561 0.897 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740623692 ZJSJAMPZYDCNQC-PVAVHDDUSA-N 434.566 0.339 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1740648597 ISABRFOCPQBXKU-IAGOWNOFSA-N 429.550 0.810 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740716681 WTWYTLQVHRRQEM-MRXNPFEDSA-N 444.565 0.999 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740751112 XZBIAMAYTSBUFT-IEBWSBKVSA-N 447.584 0.608 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1748673154 ZJXAXAIRVUGZJW-LSDHHAIUSA-N 428.580 0.996 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749683324 PNTUZURVFPDXBW-QWHCGFSZSA-N 430.431 0.937 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C(F)F)N1CCOCC1 1760097397 DSYOGQBWMPFYKX-SOUVJXGZSA-N 448.540 0.702 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 1760261555 NKDRCOBRBDILDQ-AWEZNQCLSA-N 439.492 0.575 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnn(C)n2)CC1 1760269657 AWHLQQTYDAEYAZ-UHFFFAOYSA-N 449.519 0.415 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1760566402 SLMZKAMABLCWOA-RHSMWYFYSA-N 444.558 0.972 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1769131720 KZXUYGKTUUJHHD-UXPDKRSESA-N 438.492 0.685 30 10 ICEE CC(=O)N1CCN(c2nc(Nc3ccc(C#N)cc3)nc(N3CCN(C(C)=O)CC3)n2)CC1 1871731489 SZFMHAUNMUJKCE-UHFFFAOYSA-N 449.519 0.824 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244282405 JQLHVBHPXBNFNX-AWEZNQCLSA-N 429.514 0.657 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCNC(=O)OC(C)(C)C)n1 2255652867 AMICIGFOMAMVLI-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE CC(=O)N1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 475010019 UJMAIIOETYNFFD-QGZVFWFLSA-N 433.534 0.833 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 505700458 PNOQDZABCAIKID-HNNXBMFYSA-N 429.546 0.406 30 10 ICEE CC[C@H](CO)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 536218430 CEEOMELFCAESNW-LJQANCHMSA-N 434.562 0.874 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)C2=O)n(C)n1 589228526 FJEQLPALQBXANV-QGZVFWFLSA-N 434.566 0.865 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1 606858105 STFLIXFZGJJVJM-UHFFFAOYSA-N 430.534 0.969 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2CCCCC2=O)CC1 609294325 JBODISJXKBLGGD-UHFFFAOYSA-N 433.534 0.977 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 751635924 OCKRTNQRFLSSKI-UHFFFAOYSA-N 436.515 0.745 30 10 ICEE COc1ccc(C=NNc2nc(SCC(=O)NCCO)n[nH]2)cc1OCn1cccn1 1084181730 YVYYLFOCAFYNSR-UHFFFAOYSA-N 446.493 0.693 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2=O)cc1 1133373884 OOPDFBAQQLWSAL-SFHVURJKSA-N 433.468 0.460 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C2)c(=O)nc1O 1224299570 QWCJLGWBSSMRRG-LLVKDONJSA-N 446.826 0.985 30 10 ICEE Cc1cccc(CN2CCO[C@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)C2)c1 1254326170 XOPXABIRWMOQGL-GOSISDBHSA-N 426.477 0.329 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1286470599 AJKATWLCHGNKLH-JXFKEZNVSA-N 438.598 0.585 30 10 ICEE O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NCCN/C(O)=C1\N=CC=CC1=O 1293033393 XSJYQIAGNVYGKH-FMQUCBEESA-N 432.502 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)CC1 1300698205 PMHGEPHZOFFCOL-HXUWFJFHSA-N 442.612 0.258 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300764623 YPUFEJCQWZBWLD-FRQCXROJSA-N 440.591 0.931 30 10 ICEE CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1307894690 NUIKWTRBFUCCSH-KRWDZBQOSA-N 428.415 0.504 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1358929853 JIQWIZJFSBPVRP-KRWDZBQOSA-N 438.554 0.083 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358958307 LCTPXDYXTUZVQB-RTBURBONSA-N 441.513 0.859 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1358961444 ZFMIRXRIIFGBSQ-KRWDZBQOSA-N 428.518 0.493 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)N(C)C)CC1 1359043404 SPIBOMXAIAPKII-UHFFFAOYSA-N 438.488 0.728 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)CN2CCOCC2)CC1 1359047848 VUTBEOREPKFEGQ-SFHVURJKSA-N 432.569 0.749 30 10 ICEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1441804203 YOSNSUNTKLYHPD-KRWDZBQOSA-N 439.559 0.379 30 10 ICEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1447563558 ZNJCCWRKQVAUHU-CQSZACIVSA-N 442.542 0.887 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1454444388 HPBFBSMVGAAOQO-GOSISDBHSA-N 441.575 0.486 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 1455114939 IRQWAEIHWXCFTG-UHFFFAOYSA-N 428.492 0.551 30 10 ICEE CCOC(=O)c1ccc(C#N)c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)n1 1458905446 HPQQPWQUMRQOFN-UHFFFAOYSA-N 426.520 0.762 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1467814603 OFPVFLXEDPKYJX-CVDCTZTESA-N 442.516 0.042 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nncn2-c2ccc(C)cc2)CC1 1471450524 CQMGPHFKCANBQY-UHFFFAOYSA-N 434.547 0.280 30 10 ICEE CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1502454860 XPGZKYWRPPXBIU-AWEZNQCLSA-N 447.521 0.545 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1507623412 RULVCANTKJDPSH-KRWDZBQOSA-N 447.565 0.707 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1507653358 NEFQQYCCPGSFBY-MOPGFXCFSA-N 448.593 0.416 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)n1 1507716933 OYANCIUMPCMXMA-INIZCTEOSA-N 448.549 0.188 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)CC1 1507720610 UYADRIFJTJRANT-OAHLLOKOSA-N 425.472 0.884 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509737759 TWBNKHQSMUGMND-RMYFCYLKSA-N 431.497 0.269 30 10 ICEE Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511840328 ZRXUHOMYYAWJMQ-VXPUYCOJSA-N 429.525 0.662 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1517624860 DJGGYYSORQVFBV-LJQANCHMSA-N 432.506 0.362 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539517955 ULLLTYOCIMVNJG-HUUCEWRRSA-N 446.620 0.560 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1539612269 KBXOZAPMSRDZTN-IKGGRYGDSA-N 432.525 0.447 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1540903751 HLRBOYBESRIYCS-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1541803224 DYAQASZKDWAGSR-KFWWJZLASA-N 429.568 0.886 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 1542481140 WMPBTTZKKYEAPS-CYBMUJFWSA-N 425.935 0.801 30 10 ICEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1548185428 SVGJGKTYIWDQSK-BRWVUGGUSA-N 438.554 0.748 30 10 ICEE CNS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1554500515 BDPNXABWMNVFAC-XJKSGUPXSA-N 438.485 0.835 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595602305 JDPIQJHSUNHCGF-VLIAUNLRSA-N 431.497 0.246 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)CC1 1638555125 HNBBNXHZLUAFLT-UHFFFAOYSA-N 445.467 0.689 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1657641374 SGEOZKNLTBGKHP-QRTARXTBSA-N 443.547 0.865 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1684609615 JPTBLWJDFIATHR-UHFFFAOYSA-N 428.518 0.936 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988207 LBMNBGOCKINADW-GOSISDBHSA-N 431.566 0.791 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1690206310 NIOUIZMABIDUQY-SQGPQFPESA-N 435.550 0.948 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1690515797 UQEIHMAJRFSZPI-OLZOCXBDSA-N 440.492 0.774 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)COC)C1 1690699144 AAGBGLUXYWZKCD-GVDBMIGSSA-N 443.570 0.675 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nncn2C)CC1 1705781949 KXEHSGXZPBDCTO-OAHLLOKOSA-N 436.542 0.190 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)CC1 1722430811 AUEGPNKLYXCEDX-LAUBAEHRSA-N 446.577 0.551 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)CC1 1722437158 QMNCQJGSMLGCTF-KRWDZBQOSA-N 429.525 0.463 30 10 ICEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1722440171 FJEIQKIZKGHFMD-UHFFFAOYSA-N 438.532 0.514 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1722505162 AMZCDGGRZOOYRS-VQHPVUNQSA-N 437.566 0.828 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722712305 PNMUWQXSLYGIGG-INIZCTEOSA-N 436.538 0.400 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1722714402 MQCLQYMPWBEPTR-GVDBMIGSSA-N 432.525 0.505 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1723660437 FTUANTPEUYVNPY-OAHLLOKOSA-N 445.549 0.811 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)F 1723952734 OHGOMITXQVWPDJ-GXTWGEPZSA-N 447.512 0.347 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1731003294 OWVZPPMYHLPMGC-NVXWUHKLSA-N 444.517 0.631 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1731183666 UXVIPAVMYIMXAP-SCLBCKFNSA-N 436.469 0.532 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1cccc(O)c1 1740533113 OYMVVJNNNDVVJF-LSDHHAIUSA-N 448.549 0.872 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748825191 WIZLHYOWXDWSEC-HZPDHXFCSA-N 444.579 0.266 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)CC1 1748989332 LDYXIEPMBXXBKW-KRWDZBQOSA-N 430.534 0.387 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749268769 GWIPKZJVUOFFLF-CYBMUJFWSA-N 437.975 0.404 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1749667208 UHLIEZNZJAKBGX-UHFFFAOYSA-N 429.481 0.270 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749671510 CWVIBBSPSLEHTP-UHFFFAOYSA-N 431.585 0.960 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)CC1 1760389375 JMUNQTGGDBWYON-KRWDZBQOSA-N 435.554 0.973 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1763226869 RSDHPKNSIORJOX-FCWMDHMBSA-N 429.481 0.371 30 10 ICEE CCO[C@@]1(c2nnc(N3CCN(C(=O)COC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1765906148 ANVNPCUHLYOYGJ-NRFANRHFSA-N 444.492 0.738 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNS(=O)(=O)CC)CCOC1 1767424100 GOBCKEBGHTYJQV-IBGZPJMESA-N 440.570 1.000 30 10 ICEE C=CCN1CC[C@@H](N2CCN(C(=O)Cn3nc(-c4cccs4)ccc3=O)C(=O)C2)C1 1853740885 FUGKOUJWPYMOHP-MRXNPFEDSA-N 427.530 0.903 30 10 ICEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1CN2CCN1CC2 1856928232 QUKYPDPCKDKLHY-GOSISDBHSA-N 431.518 0.026 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870548025 RTUXJTYOAGNOLN-LJQANCHMSA-N 446.548 0.748 30 10 ICEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1891425852 QIZFRWXKWYGYIL-ZDUSSCGKSA-N 427.442 0.563 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286014909 CAEGUFUJXQSCTG-ROUUACIJSA-N 437.518 0.471 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@@H]2CCO[C@]2(C#N)C1)NC(=O)OCc1ccccc1 2286039711 JHCBYFIYBUYKFO-TXPKVOOTSA-N 437.474 0.399 30 10 ICEE CCn1c(=O)n(CN2CCN(C3CC3)[C@H](C#N)C2)c2cc(S(=O)(=O)N(C)C)ccc21 732672808 NJBZIUXENMFJSC-MRXNPFEDSA-N 432.550 0.703 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732708968 XERJXJQOOYIUPY-KRWDZBQOSA-N 433.534 0.853 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cnccc23)c1=O 782927363 WRALCPXGYTUQCZ-UHFFFAOYSA-N 430.489 0.453 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1158825952 IXMPZHKCEQADHB-YNIRPWPESA-N 435.424 0.871 30 10 ICEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1214199411 JGEUEUZGHUJHBU-INIZCTEOSA-N 437.566 0.585 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 1221476715 WBZGBSCPVIMPKV-UHFFFAOYSA-N 447.561 0.608 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286380320 HAXWVJZSGPOVJP-QGZVFWFLSA-N 447.565 0.409 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCCC2)CC1 1286470124 TVTLEBMYXSBIOI-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1286609326 ZWCKQFPRLULBHZ-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286819876 YNNBACQEDGCGHF-GJZGRUSLSA-N 438.554 0.325 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300498762 MVYIHTFHMVKBQE-ROUUACIJSA-N 431.518 0.306 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1300501319 JJCNJCKHMKKMQD-SFHVURJKSA-N 435.594 0.704 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1359227725 JYMJCPABLUPUFQ-INIZCTEOSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359299555 HXXXHAYIQDMOEI-HNNXBMFYSA-N 440.570 0.335 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359321359 FHSORQXHLMQTRO-LUKYLMHMSA-N 426.539 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359334062 RUFDTYZAPKBJKE-MRXNPFEDSA-N 439.563 0.488 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1464376109 BJBVYISQTGILKQ-RDJZCZTQSA-N 443.566 0.691 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1 1475973900 POUOMXZTCUMIOU-STQMWFEESA-N 426.495 0.681 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503639549 GWRFRMNYVUOLEL-XLIONFOSSA-N 431.518 0.982 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C(F)F)N1CCOCC1 1507600527 GVVMYXCBTLQJKZ-ZIAGYGMSSA-N 434.513 0.314 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1539072463 RQSULCLZRSHBCS-HNNXBMFYSA-N 429.568 0.065 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539220033 GYNUMOHMNNPMID-TVKQPGBESA-N 438.550 0.339 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1539317636 DJGFTYOAHWKVJS-AVRDEDQJSA-N 442.589 0.900 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N[C@H](C)CC)CC1 1539427877 JPMWKLVYDTZWDZ-QGZVFWFLSA-N 438.536 0.985 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2snnc2C)CC1 1539466539 AXINKIORHCOLEN-UHFFFAOYSA-N 442.549 0.688 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554409529 YLNPIQFGJYGNDR-TYRJRECQSA-N 443.508 0.618 30 10 ICEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CCO1 1555993065 HKMXJSJANOJHHQ-SFHVURJKSA-N 437.504 0.928 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588024844 NSPDQADKZNBRBD-QGZVFWFLSA-N 434.566 0.237 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(C(=O)C(CC)CC)CC2)CC1 1675455383 WYADMGWENKCABS-UHFFFAOYSA-N 427.571 0.208 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N2CCOCC2)CC1 1690110678 WBODJKLJCRXCNR-UHFFFAOYSA-N 445.568 0.201 30 10 ICEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1698365180 BCGBLDHZYJYGDS-KGLIPLIRSA-N 442.567 0.235 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1705583332 VUSBNOKYKRRSAW-SFHVURJKSA-N 431.518 0.942 30 10 ICEE CN(C[C@H]1CCOC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711157431 WTQZQLUBNJVDKF-QFPXGYFVSA-N 443.508 0.513 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1722398103 XNXLBRINYHBZMX-IBGZPJMESA-N 447.605 0.878 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cncn2)C1 1722703231 XLVBWVSKPXKZEL-JZXOWHBKSA-N 430.513 0.737 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1722732462 ZJPRISJFNJGWEE-UHFFFAOYSA-N 444.517 0.656 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1729396460 FLVQJGNCASIUSY-KRWDZBQOSA-N 426.506 0.980 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1740627223 OSZNWOBPKQADTD-QGZVFWFLSA-N 449.581 0.668 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCC(=O)N2CCOCC2)CC1 1740689606 BTUJWRSFFOWTDB-GOSISDBHSA-N 434.541 0.006 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740950619 AMICQGZQAFGKGL-UHFFFAOYSA-N 431.541 0.557 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1740963279 GHPKIHHZLZDTRX-CYBMUJFWSA-N 431.522 0.239 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740995182 CQEPIERFBQBPFW-RCCFBDPRSA-N 439.582 0.887 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1748816085 WRNVIANRKKVINP-ULQDDVLXSA-N 426.539 0.808 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1749039722 ZOYNKFQSRPYDKL-QGZVFWFLSA-N 439.607 0.899 30 10 ICEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750094510 GNVWCMQLMKKYLX-KRWDZBQOSA-N 440.508 0.765 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccn(C)n1 1750967026 PZYRXYHXBGXVHU-UHFFFAOYSA-N 434.508 0.791 30 10 ICEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1752446421 ALQBRXVFUZHQQM-IVZQSRNASA-N 440.504 0.827 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760196979 OJZZWKPUWYMIAD-UHFFFAOYSA-N 425.514 0.948 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1760289508 PNAPLZAYPHAFQS-GRDNDAEWSA-N 429.568 0.315 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760510430 XRHFMWUTROLFQA-CQSZACIVSA-N 431.584 0.617 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1764675686 FBYFCLIQPLIFGE-QWHCGFSZSA-N 438.558 0.837 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1771304005 OMXOSIVQBNEIGD-WDSOQIARSA-N 445.568 0.951 30 10 ICEE CC#CC[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 2213504723 FZNPMYFMKLKFLD-JJXSEGSLSA-N 441.525 0.750 30 10 ICEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 111046639 NOJZOXJDMCEJQN-DYESRHJHSA-N 446.529 0.083 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCCO1 477447219 XIUXORUWOHXMRI-ZDUSSCGKSA-N 449.554 0.425 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 480906842 KXQSPWRDBIMAPX-UHFFFAOYSA-N 427.552 0.077 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 576124014 DPOHTTJQEBTZMG-HZPDHXFCSA-N 438.554 0.388 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 603797266 CFTITLZWNVDAAC-QGZVFWFLSA-N 427.526 0.663 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C#N 604001424 DMSZPEPLOVXFNQ-UHFFFAOYSA-N 444.472 0.806 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1 604170529 GPLOIGMLKXEEKI-JOCHJYFZSA-N 442.608 0.995 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C[C@@H]1CCCO1 609613693 NWEVXONNPXYMTF-ZDUSSCGKSA-N 449.330 0.495 30 10 ICEE C=CCNC(=O)CN1CCN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 754822319 BYPQATLEEACANE-HNNXBMFYSA-N 429.974 0.624 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 767626766 ITCUVQQCFUIJEJ-CJNGLKHVSA-N 431.474 0.616 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771298277 UVSQTSHTAUFAGY-QVKFZJNVSA-N 447.513 0.420 30 10 ICEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 774288299 MBZAZRDKLQLUIE-HNNXBMFYSA-N 437.570 0.381 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 790104198 LWEYVIZUTNAZGE-INIZCTEOSA-N 429.502 0.730 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 918615811 BLTNZSGXXTURHO-CVJGKLSJSA-N 445.501 0.549 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1286492451 FVWKXFNQUMWULM-LJQANCHMSA-N 436.516 0.895 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC2)CC1 1286495340 YZSMXOMWWZKCIE-NVXWUHKLSA-N 435.550 0.183 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1286792212 QWBWKSBNPJMNJC-UHFFFAOYSA-N 449.309 0.858 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286793303 CKFMRIUFQQROPK-IERDGZPVSA-N 432.525 0.432 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1288869545 IHDAKXOEQINTIH-HOCLYGCPSA-N 442.542 0.203 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1300697355 BJDMATXXYKVSOV-UHFFFAOYSA-N 448.531 0.566 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CC1 1300700283 NXVJHOWGNBFENP-HZPDHXFCSA-N 441.648 0.784 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301612836 PPRXZJDVYWQBJQ-ZIAGYGMSSA-N 426.568 0.313 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1358949286 XTZGIINTIZSDSV-SFHVURJKSA-N 438.598 0.802 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1358979041 BAEQFIOQSRVJHM-MRXNPFEDSA-N 448.574 0.805 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1360680883 KBJCOLZQCGUXRZ-JBBXEZCESA-N 439.517 0.341 30 10 ICEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1505129095 ABWPVEWWYUDFTM-HXUWFJFHSA-N 428.518 0.968 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1507616465 JOYIEPQCJJBDQP-KRWDZBQOSA-N 437.497 0.876 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507630947 AHEZQSDXFYCGFD-KURKYZTESA-N 448.593 0.730 30 10 ICEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CN(C)C1=O 1519165254 ZBKVVFMUNNAFEA-FQEVSTJZSA-N 429.481 0.851 30 10 ICEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1531710053 MJPCNVBJLSCLFZ-ZOCZFRKYSA-N 428.445 0.942 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1540037287 HGUIVNMASAQTSK-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1540046973 CJRUTYKQPWEEAE-CYBMUJFWSA-N 427.552 0.962 30 10 ICEE COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O 1556885836 UDKXEYVZCIBWPA-AWEZNQCLSA-N 440.497 0.032 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)ccc1F 1557811219 BTSNEDLQDSQKEO-CYBMUJFWSA-N 433.527 0.691 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1587860829 CALFVQSABPVYBX-KURKYZTESA-N 438.598 0.943 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@]2(C)CN(C)C2=O)n1 1588722360 AHAFVYOFSJGPDE-JOCHJYFZSA-N 449.519 0.696 30 10 ICEE C[C@@H](CC(=O)NCc1ccc(S(C)(=O)=O)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1638046676 GHYFLJQQSDUIDS-LBPRGKRZSA-N 436.515 0.619 30 10 ICEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1640664784 GGQNRMAXJXUACM-UHFFFAOYSA-N 431.536 0.990 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1645168886 RJVZNNAFGZCBEA-HCHPWLPISA-N 427.523 0.701 30 10 ICEE Cc1ccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 1650977746 KUFKHYBPIWJDDF-IBGZPJMESA-N 449.577 0.323 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 1651540495 RCHSTJLALORGOH-GOSISDBHSA-N 439.394 0.804 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1689988284 LXSYHZUJSIWRRT-OAHLLOKOSA-N 445.505 0.204 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)C(C)(C)C 1690528339 ZVDKZQOIHPEHDI-CQSZACIVSA-N 449.599 0.447 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC)C1CC1 1690544742 ACPWJBKHJGFTPE-QZXCRCNTSA-N 431.584 0.534 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1698320486 HEYBWCCQJVYVNT-QAPCUYQASA-N 436.469 0.782 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705562770 JZKNMDZSSMBROP-QGZVFWFLSA-N 436.501 0.620 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1705589447 QDRLGQFFOJISDV-UHFFFAOYSA-N 429.506 0.280 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2OC)CC1 1705632066 VFLQLAVFNVXNQZ-UHFFFAOYSA-N 440.552 0.622 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nnc2n1CCCCC2 1706848767 HGYWJCPKRDVNPM-KBPBESRZSA-N 435.558 0.993 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722362290 SJUXNAZACURBKO-MRXNPFEDSA-N 428.518 0.493 30 10 ICEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722686428 XXKDLEGOCLNRNN-IRXDYDNUSA-N 425.555 0.989 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1748842143 DPWWCXACAVBATH-QMHKHESXSA-N 432.484 0.805 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCOC2)CC1 1749000374 UNBJPEATYFAPHT-JOCHJYFZSA-N 427.505 0.772 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N(C)C 1750966317 GCDKBCHHUXRUPI-UHFFFAOYSA-N 439.524 0.488 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1760185398 WTGIOXAVMQSCFY-HNNXBMFYSA-N 437.472 0.953 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1770360439 GBGSBSQUBDHZQA-QGZVFWFLSA-N 442.505 0.409 30 10 ICEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1 1852144258 NQXZEXMALHCVHL-LJQANCHMSA-N 449.529 0.605 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)[C@H]4CCOC4)C(=O)C3)C2)cc1 1855847988 WSWLMNACGFMUBV-IRXDYDNUSA-N 432.502 0.029 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1855960969 CIZZBBOXTDBFSU-GFCCVEGCSA-N 428.873 0.827 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCOc3ccccc3)CC2=O)CC1=O 1857439059 DGRLKYVMEVXDBP-INIZCTEOSA-N 435.502 0.101 30 10 ICEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 1891672353 WOBKUKFXSSGAHS-UHFFFAOYSA-N 434.518 0.291 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN([C@@H](C)C(=O)NC4(C#N)CCC4)CC3)C2=O)n(C)n1 469767496 HKXCIYARZJHMLQ-ROUUACIJSA-N 427.553 0.793 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(N2CCOCC2)n1 477395060 TXDWBIFGJFCEQN-HNNXBMFYSA-N 429.502 0.773 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 609457154 MNQKJVZWYDVOJR-MKXGPGLRSA-N 438.594 0.788 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(F)(F)C[C@H]2CO)CC1 614916974 HYWYCMXJYPHCKL-HNNXBMFYSA-N 428.461 0.093 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)cn1 735069345 SLRKZBRBWBNEDG-UHFFFAOYSA-N 448.552 0.936 30 10 ICEE C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 756415220 PJHLVWTYNMRWOP-INIZCTEOSA-N 449.529 0.997 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767874665 ZDQODOJUSBDGKB-AWEZNQCLSA-N 448.570 0.591 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660530 FEOINHVPZWTZMK-UHFFFAOYSA-N 444.557 0.994 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)C1 805755908 MROWTOCXZSVKDN-CQSZACIVSA-N 426.495 0.996 30 10 ICEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1134274845 BQYWGBNTXLKURF-YYYYNJOWSA-N 433.530 0.749 30 10 ICEE N#C[C@]12CN(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)C[C@H]1CS(=O)(=O)C2 1256426830 CLPLZTRMNNZTSO-FIXISWKDSA-N 428.312 0.540 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[C@@H]2CCCCO2)CC1 1286470771 BYHLVSCSPMYTSY-MSOLQXFVSA-N 438.598 0.993 30 10 ICEE C=CC1(CC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1290930361 DEVFIXZFGRRQKA-CQSZACIVSA-N 429.539 0.561 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)CC1 1300700788 WPUPICSSHHLVSA-INIZCTEOSA-N 442.611 0.119 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301490815 FFTAZBXIJRONJI-UHFFFAOYSA-N 447.565 0.941 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301593958 YXGIFFSHTAUNOX-FQEVSTJZSA-N 447.565 0.599 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1315818554 RLCPKPAXBUIECZ-HUUCEWRRSA-N 444.533 0.726 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1316186901 RZIJAMBKWMZYNY-ZDUSSCGKSA-N 429.481 0.625 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnnn2C)CC1 1359041116 NWJWIOKUBUOBLK-HNNXBMFYSA-N 430.513 0.145 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1359291675 AASJXXMMAJZPSO-KGLIPLIRSA-N 430.600 0.912 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1462987242 CYJZSFQIPIQXEW-ZBEGNZNMSA-N 431.923 0.601 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 1471451116 NJBMCMDLSLVZRV-GOSISDBHSA-N 447.561 0.851 30 10 ICEE C=CCN(CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1473233636 SKZLAESDNHDKIM-GFCCVEGCSA-N 443.547 0.946 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 1507820231 AYPOCEWCJXBZNQ-VQIMIIECSA-N 443.570 0.819 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C[C@H]1O 1517688217 AEWPQVSAOOLFPL-XCLQVSSVSA-N 441.488 0.717 30 10 ICEE CO[C@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCS(=O)(=O)C1 1527274037 MGXCAPWGGMFZMH-VXNZKSKFSA-N 429.520 0.642 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1539751742 SVNZJJQPSFEABZ-INIZCTEOSA-N 425.555 0.878 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1 1558251646 QQRYROXIFLDMCL-GUDVDZBRSA-N 447.557 0.870 30 10 ICEE COC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1597372030 LAKHSEYQIBQAGO-JVPBZIDWSA-N 427.523 0.657 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)C2=O)cc1 1622018752 CYXFVYLMLNDFAS-DOTOQJQBSA-N 425.532 0.798 30 10 ICEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1628933904 GAOGDYJWHMGDHQ-QKKBWIMNSA-N 449.529 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1 1632265999 XKWAXNYUUUTHNJ-UHFFFAOYSA-N 434.497 0.349 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 1635707786 CDKGGPVEFYORLL-INIZCTEOSA-N 448.549 0.462 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4nc(O)c(C#N)cc4C)CC3)C2=O)n(C)n1 1638408923 SBBJXFJCBWKTRN-QGZVFWFLSA-N 437.504 0.963 30 10 ICEE C[C@@](Cn1cccn1)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(N)=O 1655844957 WBWYYJINNDQGIW-RXVVDRJESA-N 427.484 0.265 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCC)c(C)cc2F)CC1 1665180004 VFFCEGOUSXUBPP-UHFFFAOYSA-N 447.510 0.085 30 10 ICEE C#C[C@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683683827 CBPBBOVWLZFHSH-KRWDZBQOSA-N 436.534 0.191 30 10 ICEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1689965916 GTTAUHWKHLMEOB-IIBYNOLFSA-N 434.541 0.723 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690484802 DORIOJBBHORPQK-HNAYVOBHSA-N 438.554 0.436 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1692783097 HCUHPQAAQGBNKI-ZDUSSCGKSA-N 444.583 0.596 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1697017704 GJSFWDFFPYFJPW-CZUORRHYSA-N 431.522 0.781 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705564538 PAYBSJSTIDFXBG-CVEARBPZSA-N 449.558 0.402 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccn(C)n2)CC1 1705651179 MTSVMZCIENCUPF-UHFFFAOYSA-N 438.536 0.343 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705694637 SFDATFWUBMETSZ-MTNOOBJLSA-N 447.536 0.856 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1705705704 KLCYPGKDFALFSH-QFBILLFUSA-N 431.541 0.843 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705728942 DMIZWKROWSRAHH-MRXNPFEDSA-N 440.570 0.625 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705900349 ZSDCGPXGNJZVKN-UHFFFAOYSA-N 435.492 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1705902498 GCKHJDKHZKVJHD-INIZCTEOSA-N 447.565 0.600 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705935920 GPZPJYNWENHOOA-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1740671657 LSDQWSIUQJKDNJ-INIZCTEOSA-N 431.518 0.552 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1740685383 FJDMREWPCWKAPW-INIZCTEOSA-N 443.545 0.979 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1741730630 CSJKKCOJYXYPCF-BEFAXECRSA-N 439.538 0.625 30 10 ICEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749508089 ISGXRJKZYYTUQJ-RBUKOAKNSA-N 426.539 0.635 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749650834 IBJAVGLQOKKXLM-AWEZNQCLSA-N 442.480 0.505 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760433782 VWPHHSGPILRDNX-UONOGXRCSA-N 439.542 0.327 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1760623450 RKXVFHDYCZJBJN-IELSJNNDSA-N 443.508 0.713 30 10 ICEE CNC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1767806228 LKWAXIJMVBQAFQ-LSDHHAIUSA-N 449.512 0.451 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)[C@@H](C)C2=O)CC1=O 1854924330 CACXSXLOQDHDBJ-NWDGAFQWSA-N 425.429 0.362 30 10 ICEE CC(C)S(=O)(=O)N1CCN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856806224 YUVNXNVQZNKOAS-LJQANCHMSA-N 432.546 0.832 30 10 ICEE CC(C)(C)OC(=O)NC1CN(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248413105 SAYZRHYZTFRKNC-UHFFFAOYSA-N 439.347 0.407 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2269068224 DDKOFBZVTIZUBA-HNNXBMFYSA-N 444.297 0.904 30 10 ICEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(CCO)CC3)C2=O)cc1 96573437 UTAKZCJWSKLUEB-JOCHJYFZSA-N 430.505 0.545 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 324410303 VOHTUXFCUQTQAF-SNVBAGLBSA-N 436.305 0.958 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 580576559 YUHWIOUXCQTHEL-KSSFIOAISA-N 426.543 0.150 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(N)=O)c2=O)cn1 764997166 DIRQHSXYZOWUMK-UHFFFAOYSA-N 435.509 0.696 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 802332453 MWUHSNDFDHRSFS-SFHVURJKSA-N 427.505 0.744 30 10 ICEE O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1 816692991 ZSQUTEOVXBCHOM-GJZGRUSLSA-N 445.501 0.829 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 917357038 ZGZLPUXCCHDVFU-HNNXBMFYSA-N 429.546 0.467 30 10 ICEE CC(C)N1C(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2S1(=O)=O 1134056391 PKPIXHBJGJJDKR-UGSOOPFHSA-N 437.499 0.250 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCOC2)c1 1286312667 ZLLXMZNTDDKEOK-VGOFRKELSA-N 425.489 0.990 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286792044 KWTIVKMHXISQCP-MJGOQNOKSA-N 449.515 0.993 30 10 ICEE Cn1ccn2c(CCNC(=O)COc3cccc(Br)c3C#N)nnc2c1=O 1288913149 PKIAGANQVFICJP-UHFFFAOYSA-N 431.250 0.800 30 10 ICEE Cn1cc(C[C@H](CO)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299615877 HRZMLCGMCJIJJF-MRXNPFEDSA-N 433.534 0.739 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1300500701 CCFJBRVFEZZWFK-SFHVURJKSA-N 439.545 0.867 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 1311575967 JPFOSSAEFCHKRH-INIZCTEOSA-N 425.580 0.680 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)CC)CC1 1359165202 KBLMBNCGQNJTIA-OAHLLOKOSA-N 447.583 0.202 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359300695 IORKWAOEEHSZMM-KFWWJZLASA-N 438.554 0.148 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1359332554 AJVQVGXKKYOXLZ-GJZGRUSLSA-N 446.595 0.785 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1447556937 KQKJVETVKZFLKK-GFCCVEGCSA-N 448.933 0.674 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)o1 1473664145 REYJCASOHWFLJH-GOSISDBHSA-N 429.502 0.763 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)OCCOC)c2)CC1 1476029850 NOCULWXCPUTRRT-UHFFFAOYSA-N 439.494 0.499 30 10 ICEE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1503423438 FZZIICMBSPVBDN-QWHCGFSZSA-N 439.519 0.316 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507630945 AHEZQSDXFYCGFD-KSZLIROESA-N 448.593 0.730 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507728485 ZISVKNPUUUOQGA-PMACEKPBSA-N 427.553 0.946 30 10 ICEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1508697535 CMRKZPVHSHXKQD-QOHXFFFDSA-N 429.568 0.456 30 10 ICEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCOCCCO)cc1 1521102018 MHJVBHTVNQOEBM-HKUYNNGSSA-N 440.504 0.843 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2CCN(S(C)(=O)=O)CC2)c1 1535259381 NAEBBWDCYFNTNB-UHFFFAOYSA-N 447.557 0.921 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539223035 YRFOKAXFJNSXGM-IRXDYDNUSA-N 437.566 0.667 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539333600 HGOOAXWARYCCHQ-FQEVSTJZSA-N 430.534 0.152 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCCO1 1545058626 GZMFIVCSMQUEGA-OAHLLOKOSA-N 434.522 0.893 30 10 ICEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CCN2C1=O 1547606284 STWDINZUCGBKGP-MRXNPFEDSA-N 436.476 0.426 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)CC1 1563359221 YSONJPSRBZPIRM-UHFFFAOYSA-N 447.492 0.653 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1589215635 CLBUASRQKQYHEE-HNAYVOBHSA-N 448.553 0.263 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595537610 UDVHMPZSIPASLN-APWZRJJASA-N 429.569 0.837 30 10 ICEE COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1619584925 BCDXYNGTSYNLSO-ZBFHGGJFSA-N 426.543 0.633 30 10 ICEE C#CC[C@@H](COC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1623658987 IBXWWSLHGARUBJ-HNNXBMFYSA-N 435.502 0.924 30 10 ICEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1nnc2n1CCNC2=O 1654765257 AZCZCCNZOHHAQU-QGZVFWFLSA-N 440.483 0.001 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnnn1CC1CC1 1690046373 BJKPCSIKRNZHTL-MRXNPFEDSA-N 428.522 0.088 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1690675797 FQDRDFITRXQCSQ-KRWDZBQOSA-N 430.484 0.819 30 10 ICEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N1CCOCC1 1691870324 AAGVJLDFKNZXCV-INIZCTEOSA-N 439.524 0.637 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1705477077 IWFUCJZDTNLTBX-CABCVRRESA-N 439.563 0.820 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705563869 HGJRYULBLDHGAR-JXFKEZNVSA-N 431.518 0.772 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1705626828 KHCKVLQNTQBFEX-HNNXBMFYSA-N 449.533 0.917 30 10 ICEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705828380 MBYQPXOGDQNZJP-UHFFFAOYSA-N 442.524 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705935173 JEAFONCHCOBMSG-UHFFFAOYSA-N 449.581 0.821 30 10 ICEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1706928394 BLEDOGIXDRAOFG-KGLIPLIRSA-N 438.485 0.835 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1722704430 SZACYWJXZUYFMY-OXJNMPFZSA-N 430.513 0.665 30 10 ICEE CNC(=O)CCN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748260899 MMRLFPAPBPKJFA-VXPUYCOJSA-N 438.492 0.363 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1748928934 BEXFHTFKPWDLBC-GOSISDBHSA-N 438.598 0.802 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1749401971 GRCFPYZXOSSUJE-CVEARBPZSA-N 440.570 0.634 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749650196 NBVMVZXSWCDUOM-KGLIPLIRSA-N 449.537 0.485 30 10 ICEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749673945 QJRCRKXYBYOLOG-MRXNPFEDSA-N 426.543 0.778 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCCCCO)C1 1750210717 VWWXZJMRTRSLMT-KRWDZBQOSA-N 440.570 0.904 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760192416 UKJSQWNNODFSAP-KRWDZBQOSA-N 434.566 0.927 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1CCN(C(C)=O)CC1 1760223933 RABBGAOLAMAKED-UHFFFAOYSA-N 425.537 0.028 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1760306098 BRTINEIEOMKHGO-AWEZNQCLSA-N 448.387 0.857 30 10 ICEE C=CCN1C[C@@H](C(=O)N2c3ccccc3S(=O)(=O)NC23CCN(C(C)=O)CC3)CC1=O 1851048242 MMNBPTVSRHTOLY-INIZCTEOSA-N 446.529 0.685 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2=O)CC1=O 1854313032 HEOBICGCURSQCB-GFCCVEGCSA-N 427.429 0.359 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(S(C)(=O)=O)CC3)CCC2=O)CC1=O 1856974165 CIYBOFILKOLECZ-JKSUJKDBSA-N 425.551 0.295 30 10 ICEE CCn1cccc(C(=O)N=c2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)[nH]2)c1=O 1860852781 QKESTTBLZAMKCY-UHFFFAOYSA-N 433.428 0.876 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 481789814 QFONLZXOZIYIOM-IEBWSBKVSA-N 433.578 0.854 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 508828765 WZOOWDJTDGIERC-KRWDZBQOSA-N 435.554 0.915 30 10 ICEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546902628 MKMSQZKMWQMNLI-AWEZNQCLSA-N 431.522 0.319 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 581051514 MNYULASSQWYZFD-CQSZACIVSA-N 435.509 0.699 30 10 ICEE C#CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729332077 UOMBHQOWVAOVOE-KRWDZBQOSA-N 448.501 0.526 30 10 ICEE C#CCN(C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 757906345 VSJOAOAVKPPBNE-ZDUSSCGKSA-N 430.429 0.675 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 916178579 CCMJWSRHDMFUTQ-UHFFFAOYSA-N 449.510 0.839 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N(C)OCC(F)(F)F)ccc1F 1148091446 WGKPHRPCAQJQKF-UHFFFAOYSA-N 427.376 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)nc2O)CC1 1152967877 UCHDMMHIMXKFMK-UHFFFAOYSA-N 444.517 0.097 30 10 ICEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1286548541 OOUOYGNFMNTLOP-IHRRRGAJSA-N 444.330 0.862 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1286787561 WMGROFUWUUQQBM-OAHLLOKOSA-N 448.487 0.706 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1288825380 DINZKIFYARLQDR-KBXCAEBGSA-N 443.549 0.177 30 10 ICEE N#Cc1cn(CCC(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)nc1O 1291702581 FINAEIJLQMSAME-UHFFFAOYSA-N 442.451 0.205 30 10 ICEE C=CCOC[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1297029755 NAKPQCIFBHFQDZ-KBPBESRZSA-N 434.511 0.271 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@H]1O 1299413511 OUSLSNQDQXIALW-JBYIUTFZSA-N 441.488 0.982 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCCCS2(=O)=O)c1 1350732900 BVHLVHURUSJKAH-KNTRCKAVSA-N 428.536 0.864 30 10 ICEE COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1354001538 FECPVTQEZOZRKH-UHFFFAOYSA-N 437.518 0.711 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccco2)CC1 1359040806 GWXKPMZZKLBDCC-CQSZACIVSA-N 434.522 0.495 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)(C)C)CC1 1359327112 SIZFYRVCQXLZKV-UHFFFAOYSA-N 426.587 0.938 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1503267049 DESDQIGFMPOVQP-KRWDZBQOSA-N 433.538 0.664 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1503769008 CXXBXMCREXIMPX-DYESRHJHSA-N 444.492 0.783 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1507537380 HYEMNXHHVJRPMD-DLBZAZTESA-N 447.565 0.966 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCOCCS(C)(=O)=O 1507761310 LTLWEGKMLDWIEP-UXHICEINSA-N 440.566 0.984 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507962391 RIGWVAPDBQTDMS-IRXDYDNUSA-N 432.525 0.650 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CCOCC2)c1 1527211553 PIOGYUJWKCLSOX-PGMHBOJBSA-N 433.494 0.630 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 1539432262 ZNXZFWPEEVGDAE-OAHLLOKOSA-N 446.533 0.421 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1 1561869647 YIKWGPKXIDWMGI-UHFFFAOYSA-N 427.548 0.782 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)c1cc(I)ccc1N1CCOCC1 1569564062 NHZUCSVDQVKBBF-LBPRGKRZSA-N 431.230 0.848 30 10 ICEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C)n1 1585131714 DNXSTVLEEMQTCR-JXFKEZNVSA-N 428.518 0.835 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCC(=O)N(C)C 1612884791 GONVWQROYNZSSX-DOTOQJQBSA-N 439.524 0.985 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)cc2O)C1=O 1638415635 JQIKYVJIWOFFSL-UHFFFAOYSA-N 429.170 0.912 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1648314258 GVANNBOCIMIIGW-UHFFFAOYSA-N 442.339 0.364 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1670882154 DXKYCHBIDFXWAV-OAHLLOKOSA-N 446.570 0.650 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1674887897 LNSIUHQLEQNPTP-HNNXBMFYSA-N 425.507 0.758 30 10 ICEE C#CCN(C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C1CCN(C)CC1 1681825135 NHBWIBQPSHIUDQ-UHFFFAOYSA-N 448.545 0.570 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nccn2CCc2ccccc2)CC1 1685365978 FTTHDMGKYYNCER-UHFFFAOYSA-N 430.534 0.421 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1690032596 FFYLDJRYZSMTFF-INIZCTEOSA-N 442.545 0.759 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1698317502 MIXDVDQIUBAQJF-DLBZAZTESA-N 443.533 0.471 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705558913 LSNXESANEKTEAG-INIZCTEOSA-N 430.534 0.795 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1705584862 AFEFTFFXOGEOBM-KRWDZBQOSA-N 434.491 0.829 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSCCCO)CC1 1705647118 ANZYGWOXJVLSRZ-UHFFFAOYSA-N 429.550 0.817 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705903199 RCGACJNDYYGCEB-IRXDYDNUSA-N 433.557 0.121 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1711221431 AMKVFLZSMDJZDI-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365215 CQBAUUHLGLZWPZ-CHWSQXEVSA-N 431.465 0.485 30 10 ICEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722605907 XCJKEEQLJOISFB-UHFFFAOYSA-N 436.524 0.956 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)C1 1722710326 HCCDZRCMGRSVPQ-IYOUNJFTSA-N 426.543 0.148 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCOCC3)n2Cc2ccc(C#N)o2)C1 1731016322 YOVHGQWPLZIONC-INIZCTEOSA-N 436.494 0.351 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740599407 AGVVIXZZUAEKNB-HKUYNNGSSA-N 446.577 0.859 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740623863 BYDLKGSRTWCOES-APWZRJJASA-N 436.559 0.709 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1748817521 LRNSYGATAKEQTC-QZTJIDSGSA-N 439.582 0.377 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1749731941 NWALSFGGWNLENO-ZIAGYGMSSA-N 434.526 0.300 30 10 ICEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760364712 AAFBODHJVHZLKC-UHFFFAOYSA-N 439.948 0.150 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760520547 RPHKDXWPGBUVCP-QGZVFWFLSA-N 425.493 0.470 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760727956 NWKFPLWKCSTFNE-ZGTROFRASA-N 436.538 0.725 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763211028 CPYSXBNIGHNLKU-FCPHTXGTSA-N 443.508 0.413 30 10 ICEE CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1767336512 CYEQWWAANWIMRB-GJZGRUSLSA-N 442.542 0.155 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1851239105 NKVRHRKENSMDBG-UHFFFAOYSA-N 447.561 0.823 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H](O)C1 2255631898 GCHRYDIWOIHOCX-ZDUSSCGKSA-N 436.318 0.763 30 10 ICEE C=CCN1C(N)=C(C(=O)OC)[C@]2(C(=O)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21 20220486 FOBNQGHAMYLEGI-QFIPXVFZSA-N 442.424 0.821 30 10 ICEE COCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 46022170 BZAAPXOPAIDFOO-IBGZPJMESA-N 447.536 0.521 30 10 ICEE CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)CC1=O 479823647 QTWYIVRSKCEETG-UHFFFAOYSA-N 441.517 0.138 30 10 ICEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 512183450 KRWZUWYTRPYSBA-UHFFFAOYSA-N 432.488 0.993 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)[C@H](C)O)cc1C 729263904 FVGAYSPVOPUHRO-ZOBUZTSGSA-N 425.507 0.635 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1[N+](=O)[O-] 730252788 QXDGJLKGMBSEKV-UHFFFAOYSA-N 441.469 0.185 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C(=O)C1 760401612 YQQIVZMIEBFWFF-UHFFFAOYSA-N 442.538 0.986 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)n1 760779590 XUUDGVCICAWBKP-HSZRJFAPSA-N 430.468 0.995 30 10 ICEE C#CCN=c1nc(N2CCN(CC(F)F)CC2)[nH]c(N2CCN(CC(F)F)CC2)n1 804397236 VQXCOSORCUXFSO-UHFFFAOYSA-N 430.454 0.113 30 10 ICEE COc1ccc(CNC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 806399130 FIFGEGAEBYUHCH-QGZVFWFLSA-N 436.516 0.905 30 10 ICEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C)[C@@H]1CCS(=O)(=O)C1 809875409 LKLPZUNQIFMRES-CQSZACIVSA-N 426.502 0.839 30 10 ICEE C=CCOC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OC 1139176529 ZGSQZVZNOHXSMU-CYBMUJFWSA-N 432.520 0.368 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC1 1152972192 BOIITTKFIKNRPD-UHFFFAOYSA-N 440.566 0.920 30 10 ICEE CCOC(=O)C1([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1179532572 VNLJJYSQKQBHKV-CQSZACIVSA-N 437.518 0.980 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCc3cn(C(C)(C)C)c(=O)nc3O)CC2)c1C#N 1248605946 CSHJJOQUAPULGT-UHFFFAOYSA-N 428.497 0.649 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286790409 RFBWPLAXKVWOSU-CALCHBBNSA-N 425.493 0.669 30 10 ICEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299573646 HACYTAFRTBBYBT-OAHLLOKOSA-N 441.540 0.676 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1300506236 QAEINQLXCDTBMY-ZWKOTPCHSA-N 445.545 0.986 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1301496542 CGFUZUNUCYGYRU-CYBMUJFWSA-N 436.476 0.563 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C)C1 1359333260 RWRMLFNVLALCCK-RBSFLKMASA-N 432.568 0.395 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1539239128 IAIZULXBRIIWEF-KKSFZXQISA-N 427.530 0.795 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNS(=O)(=O)CC 1539538610 JWQKVFUUQSGRRC-RHSMWYFYSA-N 446.599 0.210 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540873348 VYKFJZALQYIFAL-SFHVURJKSA-N 425.537 0.725 30 10 ICEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 1559604010 RSQBDWOPNNZOOR-INIZCTEOSA-N 433.534 0.941 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C1 1565345916 BPANPJCGPKUGHN-ZACQAIPSSA-N 440.566 0.512 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)cn1 1565362482 RCIUHAADKUBCES-UHFFFAOYSA-N 428.518 0.904 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1584037362 ZCRWRWYYNFUBOW-JTQLQIEISA-N 436.387 0.925 30 10 ICEE C#CC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1633560318 YVAYEYFNNXVXDS-BZUAXINKSA-N 426.535 0.643 30 10 ICEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2=O)C1 1648368012 MCHWTPSLYNMCDA-MRXNPFEDSA-N 441.488 0.624 30 10 ICEE N#C[C@]12CN(C(=O)CNC(=O)c3ccc(Br)s3)C[C@H]1CS(=O)(=O)C2 1653073392 XSUABYUYICLBNV-LKFCYVNXSA-N 432.321 0.637 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1690659495 VAQOXVLMQISHHM-CYBMUJFWSA-N 438.558 0.177 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1705573429 GRPTWCSQLGIRTO-INIZCTEOSA-N 444.565 0.522 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CCO1 1712883600 SVJGUYZYJJBHEO-ZWKOTPCHSA-N 431.541 0.480 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722367629 NCYRUESFHXZVJE-MRXNPFEDSA-N 443.595 0.502 30 10 ICEE C[C@@H]1N(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1726762989 VFFJFKQNRVYRNI-JOUJLLDFSA-N 443.508 0.759 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)CC1 1740696200 OCFUHFPGPMWBIC-OLRZCDJHSA-N 439.607 0.237 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)CC 1740725004 GFRWCSYNUCUMRC-MOPGFXCFSA-N 425.555 0.862 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCS(C)(=O)=O 1740897703 REEAEXHSWQVFKP-UHFFFAOYSA-N 446.533 0.875 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1740954676 DPHFHRBMYQVVMG-KRWDZBQOSA-N 444.492 0.216 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740991254 RRWIWGKBSGHTFH-KRWDZBQOSA-N 425.555 0.878 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1748826453 UCXGHIQJDFDFGA-MRXNPFEDSA-N 434.566 0.610 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NC)CC1 1749000856 BUHUXHDYKMGPNT-UHFFFAOYSA-N 431.541 0.154 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1749055744 OHHHTTIEOFNCDG-WOJBJXKFSA-N 437.566 0.958 30 10 ICEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 1750384523 CXONEBHLIBFCEX-GOSISDBHSA-N 439.520 0.826 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1760131536 UPBCZFQLZQSJGI-SJORKVTESA-N 435.554 0.794 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1760184170 WJRZRVRHJUFGED-CABCVRRESA-N 433.538 0.571 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760191139 BKMMJJZCMXFRJY-OAHLLOKOSA-N 448.574 0.726 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1760194918 SQDWEBNYVPLJNA-ROUUACIJSA-N 436.582 0.318 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(=O)(=O)CC)CC1 1760389420 KGRSIMBUQHFGSA-OAHLLOKOSA-N 431.584 0.666 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1760522650 YHGCVHFOIQGXDT-RHSMWYFYSA-N 426.477 0.795 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCNC(=O)OC(C)(C)C)n1 2243438915 OBHRPUMERLBABV-UHFFFAOYSA-N 430.336 0.522 30 10 ICEE C=CC[C@H](O)[C@H]1CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906285 YFSYPWISRIJXKD-BBWFWOEESA-N 426.491 0.796 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN([C@@H](C(N)=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506636776 QIHIRFRWTBQMJA-PZJWPPBQSA-N 435.532 0.940 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(=O)NCCCCC#N)CC3)C2=O)n(C)n1 584737839 VEMLAFVYQQXSBF-QGZVFWFLSA-N 429.525 0.178 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 603798179 KBCSVTLCWHBLOB-QGZVFWFLSA-N 442.541 0.530 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 732663322 RPNJXPMUXQRYNU-UHFFFAOYSA-N 437.550 0.971 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1)[C@H]1CCS(=O)(=O)C1 759383088 GOALTQCVEAYQKP-INIZCTEOSA-N 428.532 0.439 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2ncc(Br)n2C1 1180637632 DEJGZBXLNUZPLY-JTQLQIEISA-N 438.307 0.815 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 1222224972 YIAFPMMSACHCNY-FUHWJXTLSA-N 439.607 0.926 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286388159 YXBAYXVTXLTNRQ-JXFKEZNVSA-N 433.534 0.754 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286421164 BYNXMDMCHUOBOQ-NQIIRXRSSA-N 449.577 0.675 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@@H]1CC 1286783915 QADJVWCOKLIBNP-HNNXBMFYSA-N 426.477 0.733 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1286819333 HAOWWXBRDNIBGJ-OAHLLOKOSA-N 438.554 0.183 30 10 ICEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1287138310 HGHVEXMKYYFHOR-UHFFFAOYSA-N 425.493 0.779 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1298104184 QZBUXCYNHVZYHO-ZDUSSCGKSA-N 447.521 0.208 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1299359557 DZMIDOOQKJOTOH-QGZVFWFLSA-N 449.577 0.138 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300788391 YPJAKHRYLUXZHU-IPELMVKDSA-N 426.539 0.544 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CCCO 1301297380 PNILCDLYALHJSB-SJORKVTESA-N 442.586 0.080 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1)C1CC1 1301327545 VENVCRFJPHOILE-JKSUJKDBSA-N 427.527 0.181 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301477598 CMUGENGWYAKWTR-KRWDZBQOSA-N 444.540 0.810 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1302456966 HCZPEHCCZAGDHJ-QGZVFWFLSA-N 443.533 0.902 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305548409 ULMMUMQGYLISCW-LTDXQCTPSA-N 442.524 0.874 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1316529953 CMQSTSDBKLFYIQ-UZLBHIALSA-N 446.508 0.964 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCN(C)C2)n1 1359028614 YBJBQVNKTNVWDW-KNQAVFIVSA-N 443.552 0.679 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359359738 ZKGWDCJPOQQVDB-ZJYNUGOYSA-N 427.509 0.987 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1459467723 QIKZRNGUZIYBCG-UHFFFAOYSA-N 440.543 0.107 30 10 ICEE C=CCOC[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1467515361 GZHDXJKDOIABOK-ZBTAVZRMSA-N 431.489 0.760 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 1507901763 FUCXZELLMZUBIL-KRWDZBQOSA-N 435.554 0.979 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507967935 OYBBJZVORUZDJM-CABCVRRESA-N 432.568 0.396 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1509430893 CEYRDIHVXWTKJX-ZACQAIPSSA-N 441.602 0.841 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1540853910 VWNBWPCYFCRFHB-CYBMUJFWSA-N 437.526 0.770 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1540866119 COYRZTCAQGKYHR-NRFANRHFSA-N 428.493 0.966 30 10 ICEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1548263802 USRFPEWOSKUQOH-OAHLLOKOSA-N 448.553 0.518 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1587562014 JXKUNGLYDDHFFE-HOTGVXAUSA-N 447.565 0.626 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1594963580 VCADHIOXQSOPAU-LSDHHAIUSA-N 447.583 0.058 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1611308000 KAUQRMMUQTTWLJ-CHWSQXEVSA-N 436.485 0.631 30 10 ICEE C=CCNC(=O)N[C@@H]1CCN(C(=O)C=C(C)C)[C@H]1C(=O)N[C@H](Cc1cccs1)C(N)=O 1614388358 DAZSYPJONCNDMP-JFIYKMOQSA-N 447.561 0.682 30 10 ICEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1614389038 QLUQAQAMKQWDNO-QYESJMSASA-N 442.497 0.930 30 10 ICEE CN(Cc1ccccc1)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1617921861 BURJMVICSNFLGQ-SFHVURJKSA-N 437.504 0.788 30 10 ICEE C#CCNC(=O)CCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618538715 HWRPIWUEVOMCTK-QZTJIDSGSA-N 433.553 0.994 30 10 ICEE COC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619724587 VVGKCCCJIANXFO-FZFLATATSA-N 443.508 0.400 30 10 ICEE N#Cc1cn(CCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(=O)nc1O 1648059301 BCVWZSHKECOFKW-ABAIWWIYSA-N 434.396 0.179 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)OC)c2OC(C)C)CC1 1676861641 CMLAHEQUYICNRM-UHFFFAOYSA-N 438.506 0.878 30 10 ICEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C2)nc1 1685211372 LLNSWCSHFJTSPW-GOSISDBHSA-N 436.472 0.549 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689936795 DQNDEFZGVHCGEW-QUCCMNQESA-N 441.580 0.803 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1 1689945663 HKIRUAFQKSMHED-MAUKXSAKSA-N 442.611 0.166 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705516922 LHZXFCZADYFGTG-DNVCBOLYSA-N 438.554 0.116 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(CO)nn2)CC1 1705782129 PKFINAWQZOKXRO-INIZCTEOSA-N 435.554 0.757 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)CC1 1705819734 SSFPACGPAFKZAN-KRWDZBQOSA-N 442.586 0.346 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705901936 ZZWKDLKMSZIWIS-LBPRGKRZSA-N 442.505 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705935859 FHYOIWLZPZUXTF-ZACQAIPSSA-N 426.539 0.767 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1706942228 MPNBUCRRLWUSFQ-ZFWWWQNUSA-N 443.533 0.913 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1722296734 UQPZBKNBTQMDOH-RDJZCZTQSA-N 435.554 0.664 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1722352812 PXSFRGIKZAYSSC-MRXNPFEDSA-N 431.518 0.688 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722432092 SEAUEFGWYDWLSZ-KRWDZBQOSA-N 437.548 0.810 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C1 1722710079 CVLSJKATNRDTNW-KBPBESRZSA-N 447.583 0.247 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626355 UDGDJHQCONSCJF-QGZVFWFLSA-N 445.545 0.592 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740726419 ZLWFCQSMECSPPJ-HSALFYBXSA-N 438.550 0.472 30 10 ICEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740873546 VCYVQLFURCXDSJ-UHFFFAOYSA-N 425.497 0.706 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1748651051 IAQICHVDHXYYKE-CQSZACIVSA-N 439.563 0.746 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(=O)N(CCOC)C1 1748842545 LWLYBOQXFJNCLP-MRXNPFEDSA-N 438.488 0.574 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1748929180 GAGMCISUFTTYQC-IAGOWNOFSA-N 447.565 0.845 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1760201686 IEKHXPLGEROMAE-XMMPIXPASA-N 445.527 0.814 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1760225490 QXHRYXHJNKOVQI-OAHLLOKOSA-N 428.522 0.977 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760525396 DOOPPBWDIKXPKQ-LJQANCHMSA-N 431.522 0.967 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1772842509 WGYNFNCWKMOEKE-CYBMUJFWSA-N 437.526 0.929 30 10 ICEE CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C1CN(c2nccnc2C#N)C1 1849521710 MSYMYLFMIGYZQQ-SFHVURJKSA-N 444.492 0.988 30 10 ICEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708297 XEKWFLLPFOCLDI-UHFFFAOYSA-N 428.453 0.642 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255877479 YVMSLNHVUCKRHU-KGLIPLIRSA-N 434.302 0.486 30 10 ICEE C#CC[C@@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270514552 PVMVPXLHKCKZJG-VQIMIIECSA-N 426.491 0.396 30 10 ICEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 441648782 FCXXBCFEKRHSBE-UHFFFAOYSA-N 432.477 0.618 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 461414910 ARNXJFQYBOWXDS-JKSUJKDBSA-N 429.543 0.286 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478758304 UGLUOMFYWPCAEM-MRXNPFEDSA-N 429.546 0.894 30 10 ICEE COc1ccnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 480638204 CTNKPAMBKWAFCA-CQSZACIVSA-N 430.490 0.372 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 499716607 ACRPJTOTQYCJKO-KRWDZBQOSA-N 428.489 0.257 30 10 ICEE CCn1cc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cn1 517934407 SUFAIIKTHZKNAO-KRWDZBQOSA-N 442.501 0.413 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2=O)cc1 557669181 ATAGIWJZWBEAOX-AWEZNQCLSA-N 437.378 0.996 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 779172661 SJXOKQHCKCRKEZ-AWEZNQCLSA-N 436.534 0.600 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1148719471 FNTFWCGNLAFQHG-UHFFFAOYSA-N 444.488 0.799 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300763875 TVDKNVXXUAOOGV-OWCLPIDISA-N 437.591 0.604 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301497835 FTSOHNRDJYGVDG-DLBZAZTESA-N 431.541 0.080 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1316355996 KRPAPVJGPYADFO-HXUWFJFHSA-N 446.533 0.752 30 10 ICEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCC1 1323540151 GJPLRYJJMREHCS-HTXNQAPBSA-N 428.493 0.722 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358919235 WWRQJTFQAIPZMU-UHFFFAOYSA-N 429.525 0.101 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358961299 VZZYROBKXIMGAW-RDTXWAMCSA-N 434.547 0.230 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1358969549 RFZKSQHKHUJXFJ-KURKYZTESA-N 436.582 0.460 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1358994064 CWSIVQOEQCSDSB-ZWKOTPCHSA-N 433.534 0.767 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359508085 MZPQSOXUTGNYQM-NONRQZMLSA-N 427.509 0.818 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1=O 1452992621 CHGUXIMCWGRRLJ-GFCCVEGCSA-N 438.362 0.600 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C(F)F)N1CCOCC1 1507600519 GVVMYXCBTLQJKZ-KBPBESRZSA-N 434.513 0.314 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507630894 JLVLEHIFRLBZDI-AEFFLSMTSA-N 431.566 0.647 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1507633782 HGECNLTXMNWHHH-KRWDZBQOSA-N 430.534 0.369 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507791038 GYQHXEWBDPWWHT-OTWHNJEPSA-N 446.552 0.837 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1508121626 FPFISOIQZIJXGO-ZWKOTPCHSA-N 440.504 0.923 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1513977705 CBEIOPFJCSTOQE-SFHVURJKSA-N 437.504 0.970 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539606459 FOCBPCYMKDIQRG-ZDUSSCGKSA-N 438.330 0.865 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540872169 FTANTSJMCJWVOH-IAGOWNOFSA-N 443.504 0.540 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1540874464 HMOPNBLRQKOMTF-GOSISDBHSA-N 426.521 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540903767 GRKRXCDBRAFZJR-INIZCTEOSA-N 432.550 0.957 30 10 ICEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1557545729 YTZZOOPYKMWKNB-HXUWFJFHSA-N 436.534 0.224 30 10 ICEE C[C@@H](CC(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1558220977 AJKNZTLAISUWGL-BPUTZDHNSA-N 437.518 0.883 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1588140391 WJOLGQKNKLPLTI-UZLBHIALSA-N 447.517 0.185 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1 1595497313 XQJAYTWTQALKAL-UHFFFAOYSA-N 429.481 0.924 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2cccnc2)cc1 1631959862 YWXFWLWUEIGBIW-MSOLQXFVSA-N 433.486 0.941 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689978205 OWFGOLSFPZSMKX-KRWDZBQOSA-N 449.577 0.958 30 10 ICEE COCCN1C[C@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1698078664 ICFXCOCJLQQSCB-MSOLQXFVSA-N 425.493 0.488 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705515769 LVQGMIKHBNDAAN-SFHVURJKSA-N 443.552 0.014 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1705936123 KJJFELOIWBLUNU-CQSZACIVSA-N 435.572 0.058 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722359318 RQBNHLXHUBABMP-INIZCTEOSA-N 435.550 0.446 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1722698592 IKQXJWBYKGEFPH-CVEARBPZSA-N 425.555 0.735 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1724009165 BZEWLIGKYZGCFK-QAPCUYQASA-N 438.554 0.656 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740622743 HWSDVGVMUKBGJX-OKZBNKHCSA-N 448.593 0.730 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740624655 JEBHWPODLJSBFC-NQIIRXRSSA-N 445.545 0.696 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1766383723 WULVUBRFDVLJRH-AEFFLSMTSA-N 437.504 0.922 30 10 ICEE CN(Cc1ccoc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1767147982 CLEVWOLDBDFNKK-UFOSLELVSA-N 425.449 0.985 30 10 ICEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868634396 YHRGTNXILXFSAO-KRWDZBQOSA-N 440.543 0.578 30 10 ICEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 446140988 UFLNVTLNNOCJEG-WBMJQRKESA-N 448.530 0.499 30 10 ICEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 486609745 KVKXINZDPQIJQC-MRXNPFEDSA-N 433.527 0.900 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 498955322 GQQBRYHKTBIAHX-KZIZELGASA-N 426.583 0.081 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 508913747 QGWDSVLOFIKIBE-RLFYNMQTSA-N 427.527 0.181 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cs1 614910870 FFNDTSXKLBBXQW-UHFFFAOYSA-N 432.571 0.735 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 729332072 UKEJKCPLKMIVBR-ZDUSSCGKSA-N 438.449 0.633 30 10 ICEE C#CCN(C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 774190281 AAOJXQQSXKEXSG-HOCLYGCPSA-N 427.548 0.830 30 10 ICEE C#CCN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 774196127 PESPPXLFOJYHRU-RTBURBONSA-N 433.530 0.927 30 10 ICEE C[C@@H](C(=O)OCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)n1cnc(C#N)n1 798745116 XPGDKEFFYDLHIQ-SWLSCSKDSA-N 433.421 0.737 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 914595268 XLOZRIGDGFTBPX-DOTOQJQBSA-N 435.502 0.200 30 10 ICEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4ccc([N+](=O)[O-])cc4)n3)[nH]c2n(C)c1=O 1084477165 BJFAPQHCDLMZGO-UHFFFAOYSA-N 442.421 0.584 30 10 ICEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)nn1 1129931003 ZVKLSVULNZUQDL-UHFFFAOYSA-N 432.506 0.247 30 10 ICEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1 1159159707 UICVOOGTGJANOX-ZWKOTPCHSA-N 429.502 0.957 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1286274443 NRKQCBXOFYXRFD-ZIAGYGMSSA-N 439.563 0.798 30 10 ICEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCN(C)C1 1286379085 FYQMIASOESJAJS-XMMPIXPASA-N 437.592 0.779 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccnc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286380233 BIKMCASAARYYIW-GOSISDBHSA-N 430.534 0.493 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCCO 1286516701 KVQHZVHVFBRPIY-ABSDTBQOSA-N 438.598 0.727 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)CC2CC2)CC1 1286637406 DCRMBUSZSDEEPH-CQSZACIVSA-N 431.584 0.870 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1300311831 WCXQWGOFEAEMGA-JKSUJKDBSA-N 440.570 0.231 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300495698 JOKXRQDUXMKCHB-LSDHHAIUSA-N 436.563 0.811 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300498515 KXGDXWRHOYWWGC-GHTZIAJQSA-N 445.545 0.696 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CCC)OC 1300578601 NDRWHBSHVKQHEA-ZWKOTPCHSA-N 437.566 0.889 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1300756955 XJGYSZSBNUAAEM-UHFFFAOYSA-N 425.536 0.853 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359056295 CGOSEZSMOPGVTD-XHSDSOJGSA-N 428.580 0.787 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359303204 HLODRWZBWNGIAQ-LPHOPBHVSA-N 429.569 0.522 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1359332120 PTNIWZFFLDJVID-AWEZNQCLSA-N 425.511 0.219 30 10 ICEE COC[C@]1(C(=O)OC)CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1461534458 SNHGCFLXPYHBNM-IERDGZPVSA-N 428.445 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507739816 KWHDYPILYHMNNX-VQTJNVASSA-N 438.532 0.770 30 10 ICEE COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519403114 DHMYSWLLIZQBMS-NVXWUHKLSA-N 438.554 0.020 30 10 ICEE CSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccn1 1520051343 FYLLLNCKEKNBMY-TZMCWYRMSA-N 437.551 0.782 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1539026267 STQOEHXASRSCOA-HNNXBMFYSA-N 440.595 0.237 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1539119772 ZRKYZAKFSJFFKP-VDZJLULYSA-N 437.543 0.627 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540869711 UWVJZMBYNFDMEZ-HOTGVXAUSA-N 445.568 0.910 30 10 ICEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1555931631 WMUFPYUGLKCFDA-MRXNPFEDSA-N 425.518 0.717 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 1556299152 GGWJTOIYQOFSMM-QRQLOZEOSA-N 433.578 0.900 30 10 ICEE C#CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OC 1556971246 SZPOQFRTLCNVLK-YJBOKZPZSA-N 438.502 0.832 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CCS(=O)(=O)C1 1588060001 XWDOBKHJGCOPOX-KRWDZBQOSA-N 427.530 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)CC1 1588806392 OYHURYIKRYFDTC-LJQANCHMSA-N 435.532 0.587 30 10 ICEE COC(OC)C(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1620315398 LXRSJHHYYKECOY-UHFFFAOYSA-N 427.423 0.936 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCCC(=O)NCC#CCO)c1 1626173556 DNNWAMKCQOEPNY-UHFFFAOYSA-N 443.953 0.992 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 1635555336 DRUGQNNGVAYRST-ZDUSSCGKSA-N 429.495 0.763 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)s1 1635681118 GJEFAJMSZLNQPO-MRXNPFEDSA-N 443.591 0.705 30 10 ICEE COC(=O)C1([C@@]2(O)CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CCC1 1636123428 PEEUVQRTWQBGPR-OAQYLSRUSA-N 449.529 0.812 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 1671035251 UVJIOEHSQCMWJM-ICSRJNTNSA-N 433.578 0.692 30 10 ICEE C[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1683834233 QXVONEJTCKUQAU-ZBFHGGJFSA-N 440.547 0.540 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1690103895 ITYQQFLMAYWYLE-LJQANCHMSA-N 441.488 0.735 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1705621661 KHOMFVRTZNCFQW-BEFAXECRSA-N 427.571 0.916 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1705651883 KGSNGPNUGVDIKW-KBPBESRZSA-N 428.584 0.347 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1706890414 NPIPLKPJSVDDLA-ZBFHGGJFSA-N 438.554 0.824 30 10 ICEE CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1709447446 ALXOMLXESDUSJN-APWZRJJASA-N 440.570 0.902 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1C 1711244918 HRJZEMNAUSKZEE-GFCCVEGCSA-N 432.286 0.952 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC(C)C)CC1 1722444817 OQJGGCSEMTUYTD-HNNXBMFYSA-N 440.570 0.279 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722694251 PFFFXOSECNZVOW-KRWDZBQOSA-N 441.536 0.892 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722701436 PVDLXVDQVSICDS-UHFFFAOYSA-N 426.525 0.966 30 10 ICEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740672778 UNURCIMEMTULCO-FQEVSTJZSA-N 428.518 0.526 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748732226 WJMUQUFFNVWKPY-LSDHHAIUSA-N 446.599 0.067 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 1749734446 JAONOIUCEJPPOU-MRXNPFEDSA-N 425.555 0.865 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1760280663 HBOGSNMKKSELHG-CVEARBPZSA-N 443.595 0.593 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760565597 AJXAAICIZFEMGF-ZIAGYGMSSA-N 427.552 0.740 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770358980 OTSHSQCIGQQUFS-DOTOQJQBSA-N 437.570 0.288 30 10 ICEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770740209 ALMLBABPNHPOJX-ZPHPHTNESA-N 438.492 0.780 30 10 ICEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)n1C 1853407833 RRSPCLXYXADUAI-LJQANCHMSA-N 432.569 0.904 30 10 ICEE COC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)CC1 1854635256 BIKABRNYRWUQHX-HNNXBMFYSA-N 434.518 0.417 30 10 ICEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)C(=O)N(C)C4=O)C2)CC1 1872933625 PSBZUWBMNMXBOC-OAHLLOKOSA-N 438.484 0.806 30 10 ICEE Cc1nc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ncc1C#CCO 2189858422 TYTGEPYEAWCTKK-UHFFFAOYSA-N 428.470 0.947 30 10 ICEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255751822 DOAHSDBVIIBLHK-UHFFFAOYSA-N 448.354 0.656 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144048 QUBFGOZBNQDDTB-CYBMUJFWSA-N 448.329 0.905 30 10 ICEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cn1 59914070 DUBPQNBKZSXPQB-UFFVCSGVSA-N 429.510 0.689 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)CC1 471208754 WFXULOYWSUJONX-KRWDZBQOSA-N 446.451 0.390 30 10 ICEE COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477110906 SBUKISIOIHFPKX-GOSISDBHSA-N 435.550 0.685 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508828119 UCQLESFPRNDGDX-CABCVRRESA-N 426.543 0.150 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 549522283 WQYABFLPOVLJBJ-UHFFFAOYSA-N 425.532 0.500 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 590914082 VXAKZPIGFZJQRH-PBHICJAKSA-N 445.516 0.882 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 603798022 YLHSHZWXQVWTCG-UHFFFAOYSA-N 430.555 0.085 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)CC1 604173646 LDCIYDVWUMVSBH-FQEVSTJZSA-N 428.581 0.827 30 10 ICEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670221453 GYIWNWSRDQUPLH-KRWDZBQOSA-N 448.491 0.970 30 10 ICEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 766988597 RALDDYRWZQGYTG-UHFFFAOYSA-N 434.474 0.969 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 810648245 ZEBIWKZZHRMBBT-GFCCVEGCSA-N 438.449 0.633 30 10 ICEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1166996076 LBTPCHOQBHOPBM-NHYWBVRUSA-N 426.422 0.690 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286396628 QSTUJSGTODBSSX-QGZVFWFLSA-N 445.549 0.232 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286484374 MREVJSKAIVNXED-KRWDZBQOSA-N 426.512 0.926 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1286555142 KFFHZCOLWZUYPZ-BZSNNMDCSA-N 437.566 0.830 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300756311 JOSQFQMRPOEHCZ-GOEBONIOSA-N 445.549 0.362 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(=O)n1C 1307378236 AXRLTLDLNMANTE-OKILXGFUSA-N 443.479 0.796 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2COCCO2)n1 1359028359 PIRFTLGOVOLEFD-ROUUACIJSA-N 443.508 0.127 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359062545 KZQXBXRFAAERBP-OXJNMPFZSA-N 434.566 0.788 30 10 ICEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1450340112 JDSWMOORMUGSMR-VXGBXAGGSA-N 431.308 0.630 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOC[C@H]2C)CC1 1507739559 RMUMTFRGPTYWQL-QUCCMNQESA-N 444.580 0.859 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507753133 CHLBETBFXYANAP-KBPBESRZSA-N 443.537 0.128 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1519550426 VRXQZDCHDRTISB-UHFFFAOYSA-N 432.506 0.335 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1539324251 RXUOTKIJVATCHU-KRWDZBQOSA-N 438.575 0.468 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1540864767 KCWNKHUQDPOFCK-UHFFFAOYSA-N 428.493 0.727 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1540866201 GHNINCPUURLNAB-KRWDZBQOSA-N 442.520 0.785 30 10 ICEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C(=O)OC 1556970271 SUNKABOFLCNABR-INIZCTEOSA-N 437.474 0.985 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 1586230103 DJTIRYJKZZETCI-QZTJIDSGSA-N 439.559 0.721 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587851334 IHNHFIRGTKZISY-NEWSRXKRSA-N 427.553 0.631 30 10 ICEE N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(=O)nc1O 1626374763 AYQMZBVQKPCOAV-UHFFFAOYSA-N 446.261 0.568 30 10 ICEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)c1 1634255023 KZEJQALEMOGKSZ-UHFFFAOYSA-N 439.497 0.615 30 10 ICEE C=CCC[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1636469947 ZZHVERDMHIECCN-INIZCTEOSA-N 427.498 0.735 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 1670794956 DJGQDEVUCMMEMI-QGZVFWFLSA-N 434.566 0.402 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689995998 BTORMFFJDQAEGN-KZNAEPCWSA-N 449.577 0.842 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1690094164 UWNXMPHXIYTMDM-KBPBESRZSA-N 433.625 0.823 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1690671424 VVJJUEUOTQJLPU-MRXNPFEDSA-N 436.582 0.547 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CC(N)=O)C1 1690726614 GMCALQHMTUTXCX-QGZVFWFLSA-N 432.550 0.957 30 10 ICEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705776760 OQDIBZRNIDCLEB-PMACEKPBSA-N 440.566 0.882 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705905098 JQWURGSHHVRTGG-MJGOQNOKSA-N 425.537 0.723 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCOC2)n1 1722429478 MQEAHSXTASSGCQ-GCJKJVERSA-N 444.536 0.806 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722699316 UFFRKYZZZUVFHU-HUUCEWRRSA-N 433.538 0.210 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723194950 LKCZFXKPLQZSGI-DCOQFNDQSA-N 428.497 0.484 30 10 ICEE C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1731150329 YDGVBTVSFACSLO-ZDUSSCGKSA-N 430.494 0.662 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1740877210 UVKKWZBAODJPOF-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740950868 KWBCKIQEMFSGGT-HKUYNNGSSA-N 434.541 0.169 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1760185894 GPXFSVLSQZGRDY-KRWDZBQOSA-N 443.508 0.812 30 10 ICEE C#CCN(c1nnc(CC)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760186622 PLMWYOKAGCOZSD-SFHVURJKSA-N 447.536 0.965 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1760554348 APFGPUIUJARIJQ-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1770748251 NEENYBMKDPOHHC-SJORKVTESA-N 446.533 0.879 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1771112752 WVASUFVHZXDKAY-UONOGXRCSA-N 433.481 0.971 30 10 ICEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1851728104 ALFLPFCOXNQUDF-QGZVFWFLSA-N 425.938 0.945 30 10 ICEE C#CCCCN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1852763657 DDLAHBHTDLFUAW-KRWDZBQOSA-N 428.532 0.879 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCNOCc1ccccc1 2247894746 KLDLNMAIJITAJN-UHFFFAOYSA-N 437.331 0.114 30 10 ICEE Cc1c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822936 REWBVLNEZBINGQ-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NCC#Cc2ccc(N3CCCCC3=O)cc2)n(C)c1=O 96349434 BEHOMSVXPBBXRM-UHFFFAOYSA-N 448.483 0.119 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1 522319068 FZUHOBGOOICSDY-HXUWFJFHSA-N 433.528 0.828 30 10 ICEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 522390409 JZLVBWDJQPUNAN-UHFFFAOYSA-N 443.573 0.484 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3C)c(=O)n2C)CC1 542730456 XSWWDGUVEJEFPD-UHFFFAOYSA-N 441.513 0.331 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543977741 KXFVMYWSYXMNBC-CVEARBPZSA-N 437.508 0.493 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 603794965 HGOUSWUGIOWNAD-UHFFFAOYSA-N 427.526 0.698 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664094 CEHRXMGEBCUGGV-AEFFLSMTSA-N 448.545 0.427 30 10 ICEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1S(=O)(=O)N(C)C 757167555 YZFHGRSKAKGYCP-OAHLLOKOSA-N 435.506 0.083 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801289648 HNLAVXQLNZKRHX-HXUWFJFHSA-N 426.477 0.217 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H](C2)C3O)CC1 1116075586 OLPGFOAXLNRUHO-HTZLVSCSSA-N 432.546 0.484 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1286493040 SNPDDSDZTFFCQK-QFIPXVFZSA-N 428.537 0.791 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1286547136 NJFQFGWXOUORGT-ANQUJSFKSA-N 440.570 0.536 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1299324640 UFGSAWWOQQCHFY-IBGZPJMESA-N 440.570 0.998 30 10 ICEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1301323010 NMNJGPCZZSGRJE-QGZVFWFLSA-N 437.504 0.647 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1301554558 IGPSVIWROWOMSY-XHSDSOJGSA-N 438.554 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301593237 KNSOFZZOSACLBW-IBGZPJMESA-N 427.571 0.716 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(C)(=O)=O)CC1 1359042825 VOCOITTYEDQFTR-UHFFFAOYSA-N 434.522 0.362 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1CCOC1 1360707848 LSWNQAIBLKDPRL-ZOBUZTSGSA-N 437.570 0.491 30 10 ICEE C#CCN1CCC(NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 1476388821 QVPWXZCIGWMHJP-UHFFFAOYSA-N 426.477 0.786 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1478283880 BHRGCIUISCMSKP-CQSZACIVSA-N 445.538 0.639 30 10 ICEE CN(Cc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1503492694 GIMZEYJOVMAOHB-UFOSLELVSA-N 425.449 0.985 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507640785 WCAVFNOYERCEAY-KRWDZBQOSA-N 437.566 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(CCOC)c2)CC1 1507740515 AZEZKHMFVCWBCV-LJQANCHMSA-N 441.536 0.987 30 10 ICEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1515098988 HXMHQXQVGGBPKU-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C2CC2)CC1 1539481890 PLTIXWSABXTULD-GOSISDBHSA-N 428.537 0.664 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540863023 NYNGFLXRCFQUPR-QGZVFWFLSA-N 433.557 0.075 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1556749680 OCZBZXGDQFIBKQ-HNNXBMFYSA-N 433.442 0.614 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)CC1 1558075011 MRYJMFFMYXHQBZ-FTRWYGJKSA-N 425.551 0.746 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 1561869619 XOTSACPPMYDNJZ-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2ccccc2C)CC1 1588199267 LRLVPJJTLOFOEQ-UHFFFAOYSA-N 433.559 0.885 30 10 ICEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1593788865 DPXGMCRGSZQFHD-MSOLQXFVSA-N 445.545 0.845 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690723193 KYTLYSPAIYJSJH-DOTOQJQBSA-N 447.565 0.633 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCN(CC)CC1 1705542016 WPWPAJFMDJSXAZ-IAGOWNOFSA-N 425.603 0.231 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705637132 KRTXFBASDSPMBF-SFHVURJKSA-N 428.562 0.982 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)CC1 1705819735 SSFPACGPAFKZAN-QGZVFWFLSA-N 442.586 0.346 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705903517 XIMSNQFWUZGNRG-RBUKOAKNSA-N 431.585 0.691 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cnc2ccccc21 1706889481 FZTIMXNYNZNZIC-HUUCEWRRSA-N 444.521 0.667 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1712883983 DFIYUOSRSJKNHZ-HNAYVOBHSA-N 435.481 0.286 30 10 ICEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1722355030 OFBUVOSXZBROSH-QGZVFWFLSA-N 432.502 0.800 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1722449215 RJMTVQHYMBFGHN-KRWDZBQOSA-N 446.533 0.205 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1722726679 AOLYZOCWMPFEOC-YJBOKZPZSA-N 444.579 0.398 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1741104764 NPGPWFFBQUMIQJ-VQTJNVASSA-N 440.504 0.964 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748804873 MEJPIAVPUZFQTC-BZSNNMDCSA-N 438.550 0.974 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1748814865 KIHDZDURYMTMFG-PBHICJAKSA-N 446.533 0.763 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1750211952 XKLLKYQFXXOXLN-UHFFFAOYSA-N 448.549 0.734 30 10 ICEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1766045262 VVOZJAANGOPQNP-UHFFFAOYSA-N 437.504 0.734 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1853319234 GFDKUHHFILJWJY-RTBURBONSA-N 437.518 0.605 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C(=O)C2)cc1 1857387960 DBMIDXVBUBVAOK-GOSISDBHSA-N 430.530 0.933 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2255648231 KOYQILPJNYEPAZ-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE Cn1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822342 LGZPKGCIXWHRTR-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CCC2(CC1)OCCO2 2282831061 DRZUQGFBIQOSIC-UHFFFAOYSA-N 428.320 0.078 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCn3c(CO)nnc3C1)CCCC2 426434039 VFPJRGIJRLXVEI-HNNXBMFYSA-N 439.520 0.956 30 10 ICEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)ccc21 471056143 NEDDEXCKNMZXRL-GOSISDBHSA-N 425.489 0.751 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 498955329 GQQBRYHKTBIAHX-XRGNVEDSSA-N 426.583 0.081 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)CC1 590395061 YNRGIPSPZXLLOU-UHFFFAOYSA-N 437.522 0.077 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732663719 CZYXQFKPKQYGNE-RTBURBONSA-N 448.545 0.915 30 10 ICEE COc1cc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)ncn1 763787342 XTIMSBLXOVNEQG-AWEZNQCLSA-N 444.517 0.651 30 10 ICEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 780045777 DSQJUGVRQKUNBR-UHFFFAOYSA-N 445.563 0.617 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)ccc1F 785430955 RMTDSPVGMNXWER-RYUDHWBXSA-N 429.470 0.476 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)n1 789175466 VSWUJVWRZXJTTI-GOSISDBHSA-N 427.509 0.599 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)s1 1147670238 UFACDTNPOTUCSQ-UHFFFAOYSA-N 433.577 0.391 30 10 ICEE C=CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1178198172 AXRPYAJNKABMJD-KRWDZBQOSA-N 444.575 0.698 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286823830 YUVWSMJGMJIHKR-OAHLLOKOSA-N 439.563 0.482 30 10 ICEE C=CC(C)(C)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 1297820913 NSFBPKJYWXTRHD-AWEZNQCLSA-N 425.507 0.699 30 10 ICEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1299123626 MYAUWIOVKSAWGI-QGZVFWFLSA-N 437.504 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301592906 GMHNAKBXUUCWBH-HDICACEKSA-N 445.501 0.891 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301612832 PPRXZJDVYWQBJQ-KGLIPLIRSA-N 426.568 0.313 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305116782 PWVRDANDLKGWOJ-MMYRVIJDSA-N 443.508 0.365 30 10 ICEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1464400669 ORZPAQCLFKSDKZ-INIZCTEOSA-N 442.559 0.647 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C 1494135603 FYFSOWIYUFDKKT-HUUCEWRRSA-N 425.497 0.247 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507628851 IRKOVPLHSKWMQG-IAGOWNOFSA-N 433.534 0.716 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1540861797 GXLGWLGYZLOPTO-UHFFFAOYSA-N 429.481 0.274 30 10 ICEE C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)N1CCS(=O)(=O)CC1 1542850618 GOXMXUJHFYQFGZ-LLVKDONJSA-N 428.308 0.625 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588049855 MGEWXMIFXSTQRY-OAHLLOKOSA-N 442.501 0.923 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588074950 UTHGWWSNDTUVKO-ROUUACIJSA-N 437.566 0.700 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1588075184 ZZTKRDWHBDCUFE-KRWDZBQOSA-N 437.566 0.844 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1588128901 UUQHSSMYMDVYLM-OAHLLOKOSA-N 444.517 0.503 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1588638056 NVAWXFJWWNQHND-SJLPKXTDSA-N 427.509 0.716 30 10 ICEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821860 MRAXGWIJTIVTDJ-MGPUTAFESA-N 427.486 0.470 30 10 ICEE C#CCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1643134255 QTHIFZGKMGSVJC-IXDOHACOSA-N 425.551 0.434 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CC1 1644285752 ZJUSHDOFUWSNKS-HNNXBMFYSA-N 428.555 0.634 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)CC1 1670521652 ZTVCVJXOMPWABI-UHFFFAOYSA-N 449.533 0.229 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689977730 BMDVIJVGJXTIKJ-SQNIBIBYSA-N 449.577 0.813 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1)C1CC1 1690536724 DJEGNWGYDZGHIL-AWEZNQCLSA-N 426.543 0.292 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCOCC2)C1 1690687027 XSGGGFFXIPUDTL-IXDOHACOSA-N 442.586 0.390 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C 1690729269 KJWRBTARHQUHEB-HNNXBMFYSA-N 448.553 0.471 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705667008 HTDYUDLIQURHPW-BBWFWOEESA-N 434.566 0.925 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711236444 BBOXLJPXTIHPMW-GFCCVEGCSA-N 427.508 0.174 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1722428994 FERZQGGFEPPGGI-UHFFFAOYSA-N 433.520 0.801 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1 1722728611 SFUZOVDXEFWPBD-MRXNPFEDSA-N 433.490 0.328 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1740621307 LHPRIXZJOFFVBQ-YESZJQIVSA-N 433.534 0.450 30 10 ICEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O 1740668624 SHXLDUGTRCDJDE-UHFFFAOYSA-N 429.506 0.993 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1740685199 BWLWWOVNWPYIRR-OAHLLOKOSA-N 429.543 0.122 30 10 ICEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740746485 LCEGBEHVRPYEAO-CQSZACIVSA-N 446.309 0.320 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740957275 IDQVCGBWWRJYAC-QGZVFWFLSA-N 436.524 0.876 30 10 ICEE CCOCc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747130336 SRQHPFWGBAEJJY-ZGAGMJPPSA-N 429.481 0.200 30 10 ICEE CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1747417219 DRCOEXQUNUDTLT-WMLDXEAASA-N 429.568 0.745 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1749663864 SEYBWSYHADPACT-UHFFFAOYSA-N 427.509 0.621 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760183329 ASCUUHMOBIIBBT-WIYYLYMNSA-N 429.546 0.638 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCNC(=O)OC(C)(C)C)n1 2247952979 RAKLLBPUXHTSFF-UHFFFAOYSA-N 444.363 0.912 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCCC12OCCO2 2282855748 IUNWICONZULNAA-AWEZNQCLSA-N 427.332 0.683 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474356887 ONXNAGBXHHECSY-KRWDZBQOSA-N 442.541 0.448 30 10 ICEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)n1 675630451 JGZURQICQNQZPM-UHFFFAOYSA-N 440.525 0.664 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 751725439 YDMOSMHWHTUIMZ-UHFFFAOYSA-N 427.436 0.976 30 10 ICEE O=C(O)C#CCNC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757470334 GHTPWXFVTANJKM-UHFFFAOYSA-N 435.436 0.846 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1cc[nH]n1 772152358 SELGCURPNZWDDG-UHFFFAOYSA-N 439.423 0.630 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286489433 SFHGRDDEVMIZRC-SFHVURJKSA-N 449.515 0.899 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1297954089 DXQRWRIUOKXYLS-OTWHNJEPSA-N 445.568 0.844 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1 1299203201 HYPFNTCRIVPMFC-UHFFFAOYSA-N 427.548 0.484 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1300270110 BECPWFXYQXGWSP-DLBZAZTESA-N 438.598 0.991 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1300578067 GQZJLAKROZKABN-IBGZPJMESA-N 442.545 0.826 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1(O)CCOCC1 1360692817 ABIPPRSDVDTXFV-MAUKXSAKSA-N 440.570 0.950 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(C)cc2OC)CC1 1455115910 VAASPDOGVCQLTM-UHFFFAOYSA-N 430.324 0.992 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1469991856 PEMKEYNOZVQROK-MRXNPFEDSA-N 443.460 0.053 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CCO1 1505321474 BBDQKERIZBFHGZ-JSGCOSHPSA-N 425.902 0.459 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507629781 PZJCNYVNVHUVOQ-OXJNMPFZSA-N 433.534 0.716 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507798598 ONEPYWMRGIPVEG-NSHGMRRFSA-N 432.569 0.973 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1508097663 JKRDVVKVRQUCRB-PMACEKPBSA-N 434.497 0.263 30 10 ICEE CC(C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1508813453 GAVAKWYAXOLSHA-AWEZNQCLSA-N 425.559 0.791 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1540876553 VDUGVIKLNKQUPJ-AEFFLSMTSA-N 431.585 0.867 30 10 ICEE CNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554439287 SYCCCTOXWBGHAT-ZZEZOPTASA-N 427.509 0.719 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 1588836108 FQNBWGJAGKOXDL-HNNXBMFYSA-N 446.524 0.412 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1C(=O)OC 1617317507 APHQNSOXGVBFCJ-BPLDGKMQSA-N 433.848 0.985 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H]1C(=O)OC 1617317511 APHQNSOXGVBFCJ-YUELXQCFSA-N 433.848 0.985 30 10 ICEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1636512850 SYTUEANFZYMNRA-KBXCAEBGSA-N 441.531 0.612 30 10 ICEE N#C[C@@]12CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1639175443 RLANGJQBRNWCDI-ZBEGNZNMSA-N 433.458 0.030 30 10 ICEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CCO2)cc1 1641226556 DSJWVZVWHHGCKR-FTHOYRMOSA-N 433.486 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 1643372396 JQIJPEAAJHJWOR-UHFFFAOYSA-N 447.542 0.550 30 10 ICEE N#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1648962940 FOFVMMLQSJQDFB-UHFFFAOYSA-N 426.564 0.813 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(I)cc2)c1=O 1656733253 XSVKICRVRYDPIC-UHFFFAOYSA-N 440.197 0.117 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)CC1 1661771768 WSDJNJAJEQOPQK-LJQANCHMSA-N 425.526 0.470 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1689988650 SZIBEAVIDMJKFL-ZDUSSCGKSA-N 426.449 0.991 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689994466 YVZPBLMBOXEGLO-UZLBHIALSA-N 435.550 0.188 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC(C)C 1690031646 SALNVENAZHKRDM-UHFFFAOYSA-N 443.533 0.716 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2C2CC2)CC1 1690112480 YQRWNHAZJFZQGW-MJGOQNOKSA-N 449.625 0.660 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1697017705 GJSFWDFFPYFJPW-XJKSGUPXSA-N 431.522 0.781 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705638188 BLWABSOYYFCNAN-OTWHNJEPSA-N 429.569 0.484 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1705904478 QELWPEWRNUFJNR-QGZVFWFLSA-N 449.533 0.964 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705930938 ZKWNHMDFULGWPD-OAHLLOKOSA-N 438.554 0.769 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712712961 SUFNHNGYMZNFCV-GOSISDBHSA-N 444.565 0.380 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)CN(C)C)CC1 1722441142 LYNZBGIJKBIJMO-UHFFFAOYSA-N 431.585 0.970 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1722536176 CCORNOSKTTYKEN-OAHLLOKOSA-N 441.554 0.244 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1722689439 TWLZWTPNJRZXRD-NSHDSACASA-N 436.314 0.660 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCN1CCOCC1 1722726586 GUWBBIDDGWSBBB-QGZVFWFLSA-N 427.571 0.889 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1723953442 DVCDNDWTNAXBHY-CHWSQXEVSA-N 433.494 0.212 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CCO1 1729677994 ABTGHBLYPHPIAY-QGZVFWFLSA-N 430.534 0.884 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1740629985 DCWQNYXONDGZAU-MRXNPFEDSA-N 428.518 0.990 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740958890 WNNQGLUWQWMXLF-INIZCTEOSA-N 444.565 0.619 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740963569 OOIGFRPHHYUUMM-UWJYYQICSA-N 429.525 0.826 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1748819034 IWAOVILAGRSKQX-INIZCTEOSA-N 433.509 0.771 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748860714 ZMXMKXAFYZHHEW-RXVVDRJESA-N 442.497 0.413 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749731903 NGXROZCTWSNOSM-CVEARBPZSA-N 425.555 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749732529 YIATUXWOBNBZNK-FUHWJXTLSA-N 434.566 0.949 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCOCC2)CC1 1760268197 NKVZDEKMQBRCMC-GOSISDBHSA-N 439.564 0.970 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1760295944 WYSNBLJROVKGRZ-YLJYHZDGSA-N 447.565 0.693 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760352306 PHQUHSBTDAIIEM-QGZVFWFLSA-N 443.508 0.859 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760523552 BNHHYHCYPGTPKY-AEFFLSMTSA-N 440.552 0.961 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1760528622 IFHQTXXXPZSRCV-LAUBAEHRSA-N 445.524 0.544 30 10 ICEE CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854395100 JOVOGVKTSJOKAS-SFHVURJKSA-N 430.530 0.880 30 10 ICEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2C1=O 1870149970 ULSAHBSPGZDXER-LLVKDONJSA-N 435.444 0.950 30 10 ICEE 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 2213501036 UQIXGLWNYOGQFU-FPCVCCKLSA-N 441.525 0.750 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2315516843 CDHJGLOUAURSHC-QWHCGFSZSA-N 436.318 0.429 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447786840 NPUACSQLIWVVSX-UHFFFAOYSA-N 447.520 0.792 30 10 ICEE COC(=O)CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471514484 LNMGJQCIXNKDPJ-UHFFFAOYSA-N 443.547 0.928 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 804959367 CQLVHAZISKPSGM-LLVKDONJSA-N 427.472 0.494 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C)COC2)CC1 1286488270 MCKCXDHQMLBASV-QFIPXVFZSA-N 431.537 0.933 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1288841490 PRSICZINGAJZIL-CKFHNAJUSA-N 437.570 0.933 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300490649 ANLPFXHOGDWABN-JKSUJKDBSA-N 435.550 0.551 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301085822 BGMYGIQOFARYQG-DXQAYGFFSA-N 446.533 0.863 30 10 ICEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)c1 1313164880 PXTYGBCXTOFDQK-IBGZPJMESA-N 438.488 0.596 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CCO1 1315014130 BBEGVRSRMRLJEI-DOTOQJQBSA-N 432.456 0.664 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(CO)CC1 1316567436 LYGFWNAAQBYOEO-RJCBAWPRSA-N 430.509 0.907 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1359057819 JOWKELVRDHXPSS-LSDHHAIUSA-N 429.568 0.203 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1359240865 ZAYQEUAKTATZNL-OAHLLOKOSA-N 439.563 0.781 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359299302 BKQCHNMUPUCMES-JKSUJKDBSA-N 431.541 0.664 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359332446 YBVCYJBUADPEEN-ZACQAIPSSA-N 437.566 0.735 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1360207349 YSVKUKVULXLSII-UHFFFAOYSA-N 449.537 0.789 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1360676279 NURGYVOBSLFIRZ-KBPBESRZSA-N 437.570 0.933 30 10 ICEE Cc1ccccc1CN1CCCN(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)CC1 1459238493 OAGUZRUUJMMZFK-UHFFFAOYSA-N 439.516 0.225 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)s1 1472349919 LUUPDWPRNBOXTA-BETUJISGSA-N 430.504 0.176 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1507844146 CUKHSVSILBMAHZ-MRXNPFEDSA-N 440.526 0.828 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1508084644 CRBCWEHYGHXJQN-CQSZACIVSA-N 439.476 0.748 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508140371 IGYVCGPEEFALNA-YESZJQIVSA-N 437.566 0.830 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539201142 XEIYHMZKGFMMHX-IRXDYDNUSA-N 449.577 0.956 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1539266832 SPJFCSSDIWNBPX-BZSNNMDCSA-N 435.550 0.235 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1539324460 UMKJQKLJQKLIGN-IBGZPJMESA-N 433.578 0.756 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC1 1539427887 JSDGWQPKKKUIDS-OAQYLSRUSA-N 431.610 0.707 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N(C)C)CC1 1539475622 KCXWQPNZWNWTPJ-UHFFFAOYSA-N 445.549 0.197 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC 1539557066 KWNLLJQJZGMDBJ-YGOAZIPFSA-N 443.595 0.372 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1540816869 VPHIMYHAIBHNOO-GJZGRUSLSA-N 431.555 0.998 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1588800200 APJWRGRBAJIOCR-XUTLUUPISA-N 432.488 0.622 30 10 ICEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593924060 WSQALBDODWBYPO-ZDUSSCGKSA-N 434.859 0.896 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597154493 XVWDAPPLQGTHRB-IAFNSTAXSA-N 427.509 0.913 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 1622357440 MJCLPPWQBMNXPA-HNNXBMFYSA-N 427.490 0.597 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1628050935 KKMWPCBBBBJVCW-CYBMUJFWSA-N 427.893 0.380 30 10 ICEE C#CC1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1633559362 IXNMKFGCJCSTFL-UHFFFAOYSA-N 447.557 0.595 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 1644380340 GTSHYEJYOKYELI-IMJJTQAJSA-N 437.518 0.929 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689966498 TWYQTDAXGNDZCO-IKGGRYGDSA-N 449.556 0.596 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1690660607 KZTRPUFPPVLDLR-ZDUSSCGKSA-N 444.558 0.026 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690670906 LUSAMDMDMIOCFP-INIZCTEOSA-N 440.570 0.730 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1706069480 DHNZOGPLAGXXNI-DRRXZNNHSA-N 439.520 0.819 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1711222069 OXZNSXUHQLXGBY-MRXNPFEDSA-N 445.549 0.717 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)COCCO2)CC1 1722565556 AAFASUOTJWNMNH-LPHOPBHVSA-N 441.554 0.573 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1723564053 JKDJGAQOKZWPMD-QUSNUVHPSA-N 439.520 0.962 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1740696388 SSFRSCQNJGBRLD-INIZCTEOSA-N 427.596 0.051 30 10 ICEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740792182 GIYUKUPAWYJKBU-UHFFFAOYSA-N 446.552 0.646 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1748790666 KQQLQLCPHLXZCB-APWZRJJASA-N 439.607 0.458 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1748819213 MDGOLEASFKSKCL-SJORKVTESA-N 428.518 0.169 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccco2)CC1 1748972563 LHONJLVPZBOQQK-UHFFFAOYSA-N 448.487 0.704 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1749668909 GKJWYVZAOHOWOC-CVEARBPZSA-N 438.554 0.150 30 10 ICEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1751046592 BCMACFWTVMFJAC-QAPCUYQASA-N 444.533 0.868 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1760232796 DRCLBHFFZPDUFY-FUHWJXTLSA-N 436.582 0.555 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1760242774 OCSZWVACARKIGM-UHFFFAOYSA-N 446.533 0.836 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1761465738 FHCQPLRETXVNRQ-BXTJHSDWSA-N 448.549 0.936 30 10 ICEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1765597580 GJYWHKWEVNIWKK-SCLBCKFNSA-N 426.518 0.784 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1771111901 ACQGWIJVNYXWJJ-PBHICJAKSA-N 429.568 0.415 30 10 ICEE COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)c1 1854695114 XBCKYJWZRMKCON-SNVBAGLBSA-N 430.280 0.984 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)n1 2255812693 JLXBGCFKZPPKRO-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE COCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 439082200 BFVCZTVBBSETFV-UHFFFAOYSA-N 439.519 0.096 30 10 ICEE N#Cc1cccc(N2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)n1 468749753 QAMPQLCJGDUBMS-UHFFFAOYSA-N 426.502 0.545 30 10 ICEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 480719790 HYFOAIWLLIYVOR-INIZCTEOSA-N 431.511 0.654 30 10 ICEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 504280798 KYBWFUYWTCTXRN-HNAYVOBHSA-N 429.539 0.901 30 10 ICEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@@H]1CCS(=O)(=O)C1 521421159 VBRWZBLEEYZEHM-HZPDHXFCSA-N 445.563 0.894 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603797980 HLZOWVSSMASKEU-CQSZACIVSA-N 433.555 0.806 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 734601385 SVEHCIUJEZUMHE-UHFFFAOYSA-N 430.442 0.770 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)cc1 802586485 PIHBOOUMHAVYHU-CVZTXRPJSA-N 444.460 0.930 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cnn(CC#N)c1 809149545 PHCOORMDKTUWMR-UHFFFAOYSA-N 432.506 0.994 30 10 ICEE O=C(CC12C[C@@H]3C[C@H](C1)CC(CC(=O)N[C@@H]1CCN(O)C1=O)(C3)C2)N[C@H]1CCN(O)C1=O 820173765 CHQYWMRRKYOXFW-ORZPNOKPSA-N 448.520 0.566 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1177754136 CPCSOHPPBXNCSH-MRXNPFEDSA-N 431.562 0.970 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287487271 PPWAZQFYHAIWJR-MVZUJROASA-N 427.509 0.814 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1300307647 HIYGSPNUCULASW-HOCLYGCPSA-N 434.522 0.521 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(N)=O)CCCC2)CC1 1300682786 RDWGCOKESRGDHR-UHFFFAOYSA-N 429.569 0.997 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C1 1301537540 BRBLYIZOBMGJGQ-DGCLKSJQSA-N 427.556 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1301588097 VLTSATCHKGWQFE-UHFFFAOYSA-N 432.550 0.923 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359206686 MNBYIULNMOPIEP-IIBYNOLFSA-N 432.525 0.434 30 10 ICEE CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Cl 1439609446 JJYNBHQCIMDHNN-LRDDRELGSA-N 431.923 0.601 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1 1442464844 CGPDYABIYYFZIS-HNNXBMFYSA-N 440.572 0.313 30 10 ICEE CN1CCn2ncc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2S1(=O)=O 1442925046 QLNHKKTXJSIYOW-UHFFFAOYSA-N 442.501 0.880 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(O)CCOCC2)CC1 1507727654 RSOIZZHRLYGMAP-UHFFFAOYSA-N 427.553 0.827 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508400404 FPDBGOZDJUBIML-WBVHZDCISA-N 439.524 0.685 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539445940 LCCGELJUAOWHOW-HXUWFJFHSA-N 437.596 0.764 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539467764 YZOQPYSZEDUPOR-MGPUTAFESA-N 437.566 0.307 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1540871810 UOVOGQHFYJKQDW-QLFBSQMISA-N 426.543 0.005 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)COC)CC1 1540902770 PSXGNCYSYKOEFJ-UHFFFAOYSA-N 425.555 0.878 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 1558072761 CDONQFYJZXORGV-UHFFFAOYSA-N 442.519 0.559 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)CC1 1565340540 IBLBXQRADAHHPY-QGZVFWFLSA-N 428.555 0.147 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1588974711 ADQKRNSGNNVQDX-OAHLLOKOSA-N 447.565 0.549 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCO1 1596641048 BRAPINNXWIRHEJ-INIZCTEOSA-N 447.446 0.539 30 10 ICEE N#C[C@]12CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1598568241 RQSXBJFIYFRXDM-LAUBAEHRSA-N 430.530 0.512 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1617290879 BOPJUHUKJIVECQ-UHFFFAOYSA-N 425.536 0.732 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)C2=O)cc1 1634588110 FSPYPKAJPGLBLM-ZNMIVQPWSA-N 429.420 0.998 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 1636475502 LBKMUAZWMKGDBO-LJQANCHMSA-N 434.562 0.751 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1636703853 JEZRLYYWDCMDQA-LJQANCHMSA-N 434.562 0.125 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1638717877 OACOLRQKKTUWGF-CYBMUJFWSA-N 449.510 0.466 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)n1 1638898290 UTQKVNIQOYOPOV-NGEICVOHSA-N 436.534 0.947 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1644447947 YATYMLGYROANCL-OHWGSFCZSA-N 438.484 0.933 30 10 ICEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 1655214241 GDWSNAOJEFRSHE-XMSQKQJNSA-N 438.569 0.738 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689936793 DQNDEFZGVHCGEW-AZUAARDMSA-N 441.580 0.803 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689993318 AUWJHELJQGYIFS-YLJYHZDGSA-N 447.586 0.759 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)OC)CC1 1690139941 FZQUAANORJXHRU-MRXNPFEDSA-N 449.519 0.922 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567976 DSOZYEMZYHJUFI-IAGOWNOFSA-N 425.555 0.162 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1705636624 RIPDQIZZAGORKA-QHCPKHFHSA-N 440.548 0.784 30 10 ICEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1706759673 UDXFJNWLHJVIMK-SPLOXXLWSA-N 425.493 0.907 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1712451714 BSCCYRGQZDBFBJ-UHFFFAOYSA-N 442.480 0.151 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1722368722 VIOJQVZVAFKIOY-INIZCTEOSA-N 430.534 0.646 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1722396157 FVBAZHBWZHZSRW-QGZVFWFLSA-N 437.566 0.889 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722691943 CLFUENPMDVLAEB-YCRPNKLZSA-N 434.541 0.883 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1740653793 YOZRQNKCNAMQCA-FQEVSTJZSA-N 425.581 0.966 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1740751673 NJTDIKWSGZHGTE-WCVJEAGWSA-N 440.570 0.571 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740951929 QNKKBXYUJZDRRI-APIJFGDWSA-N 426.543 0.052 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1748855915 LVAFVUBNHNACGT-UHFFFAOYSA-N 440.529 0.625 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@@H]1C)C1CC1 1749520102 ZDZGOKAAWNOZFE-SIXWZSSISA-N 441.554 0.306 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1749670453 UAPQTIHTKHAVOV-PMPSAXMXSA-N 440.570 0.538 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1760196201 GAEVALLLJJDVHP-UHFFFAOYSA-N 425.514 0.948 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760677029 HIODZUKEBCFVKE-IBGZPJMESA-N 425.493 0.684 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2=O)CC1=O 1853822246 JZNNEJFGABCVHQ-CYBMUJFWSA-N 439.465 0.228 30 10 ICEE CCOC(=O)c1sc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1C 1872796311 UQHKULRBLMGYJJ-UHFFFAOYSA-N 436.515 0.988 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631051 SSBSVJIXLONIPX-FQEVSTJZSA-N 436.318 0.811 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255648548 MJFVXFNIPVLHGH-UONOGXRCSA-N 436.318 0.741 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H](N)CO)c(Cl)c2)OC1(C)C 2282513217 YMGAMCKPDVVLHA-SNVBAGLBSA-N 425.143 0.891 30 10 ICEE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(N)=S)c(OC)c3c(c2OC)OCO3)C1 254288120 BLNXHKOIXRMBPO-SECBINFHSA-N 438.462 0.850 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447268139 TWZYLXDZJXFEMJ-UHFFFAOYSA-N 436.335 0.770 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 460556523 SQJLIRQDRUVJGV-CYBMUJFWSA-N 434.588 0.230 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 557345397 COWLSGCHLZJKDT-XJKSGUPXSA-N 428.536 0.107 30 10 ICEE C#CCN(C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 774247975 NZFHWBAFAOMFPI-QGZVFWFLSA-N 426.583 0.445 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 1210111508 KPTNINNEVFZYJV-HUUCEWRRSA-N 425.473 0.573 30 10 ICEE CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1295219020 QKQYVSRZVINQIM-VDMFXUGISA-N 434.522 0.695 30 10 ICEE C#C[C@H]1CCCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)C1 1300007900 LZVDQIWROVKEKO-HNNXBMFYSA-N 433.509 0.573 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1300362864 ARUPDSHIIIMBJI-GJZGRUSLSA-N 426.543 0.115 30 10 ICEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300422041 DJFAKJPASJDBPE-MRXNPFEDSA-N 426.452 0.557 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1300681413 OQILWHGIFSNGLC-UHFFFAOYSA-N 429.569 0.820 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301499125 YJBMJEDEAZXLRG-ULQDDVLXSA-N 431.541 0.078 30 10 ICEE C=CCNC(=O)Cn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301520618 JZLFDGGETPETCA-HXUWFJFHSA-N 430.513 0.541 30 10 ICEE CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1307681882 BCBMPNAJLDAAJQ-LSDHHAIUSA-N 426.477 0.959 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1 1350774543 OVCUKXGXRKAWEN-XLNRJJMWSA-N 432.506 0.833 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1443534793 HOVCAJCTDAGYAB-IIDPBZONSA-N 434.493 0.903 30 10 ICEE C#CC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1456809650 NKJNUZGNIFLQKW-UHFFFAOYSA-N 427.504 0.828 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1503832954 AMZSJICKVFXRAZ-GJZGRUSLSA-N 432.462 0.480 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1507791287 KGVRGXXZHMFMGR-MJGOQNOKSA-N 446.552 0.790 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCOCCCO)cc1 1521101506 CCOXISMULYXOSD-QFIPXVFZSA-N 440.504 0.844 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1538975010 WFOBOOTVBJCALL-HUUCEWRRSA-N 448.549 0.785 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539052769 JFRJRVIWOIISFR-ROUUACIJSA-N 438.598 0.993 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539216796 XHRQVMOMSZACFU-HNNXBMFYSA-N 429.568 0.110 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C2CC2)CC1 1539847177 BAILHQIHUDNVEO-INIZCTEOSA-N 438.554 0.294 30 10 ICEE N#Cc1cn(CCC(=O)NCCCNC(=O)c2ccc(Br)cc2)c(=O)nc1O 1542765761 XJVAMPILWLNJNN-UHFFFAOYSA-N 448.277 0.909 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCOC 1589216861 YZVYXOJYXYGZOR-VQIMIIECSA-N 441.554 0.266 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1611710706 DIZLAILRJXXEOA-WDEREUQCSA-N 442.452 0.393 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 1636479730 FFIZCODCPOFFGT-UHFFFAOYSA-N 437.522 0.583 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1645034224 NAMQROZTJNLUAU-KRWDZBQOSA-N 430.505 0.842 30 10 ICEE C=CCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1648751660 LHUQXYIZLPERNP-UHFFFAOYSA-N 445.563 0.396 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1689990748 RIWWUIGSUHMTBE-GJZGRUSLSA-N 426.564 0.607 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690676981 KAWRBLPBGRPBSD-AVRDEDQJSA-N 448.568 0.391 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(C)(=O)=O 1692218816 MBXVETYUJKSXGV-UHFFFAOYSA-N 432.554 0.619 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705904755 XMLAXPSOUFNTOA-QGZVFWFLSA-N 441.492 0.554 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1712874760 BNYHEHIXWUPRLU-UGSOOPFHSA-N 433.469 0.802 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722459132 CSTOHMZLSDWEEV-PMPSAXMXSA-N 437.591 0.509 30 10 ICEE C[C@@H](CN1CCOCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1723878415 HDCULTVABMEHPB-WMZOPIPTSA-N 436.582 0.888 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCC(F)F 1723952736 OHGOMITXQVWPDJ-OCCSQVGLSA-N 447.512 0.347 30 10 ICEE O=C1CC[C@H](c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1731216929 DDYICQMXBDNYJA-UWENYHRYSA-N 435.435 0.991 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1740549655 NNMNXTYHETWDPY-KAIODVNGSA-N 430.553 0.957 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740565025 GXXQKBRPDAXNSX-UHFFFAOYSA-N 427.509 0.838 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740600195 IUGDMISYGVJSGX-CHWSQXEVSA-N 438.476 0.221 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740615759 KQORPOYZCPJGBV-KZNAEPCWSA-N 449.577 0.956 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1740941945 XGEGRAJDBKKCCM-HOTGVXAUSA-N 446.595 0.644 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740990973 LGIIRUYZFKIQFB-CVEARBPZSA-N 447.565 0.948 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1748818366 ASEVCBMGXJFJEA-RXVVDRJESA-N 447.561 0.678 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749734083 DZYWXLUFXPIKCO-MSOLQXFVSA-N 439.582 0.684 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C(F)F)N1CCOCC1 1760097396 DSYOGQBWMPFYKX-RRFJBIMHSA-N 448.540 0.702 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760520028 AGSDXMMJFPEKNP-INIZCTEOSA-N 428.493 0.597 30 10 ICEE CC(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1760858462 HLDFCSRCVVMLSO-AWEZNQCLSA-N 431.522 0.771 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)CCOC1 1767425108 MUFAGKVOFMUCOK-LJQANCHMSA-N 441.554 0.731 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccccc3C(F)(F)F)C(=O)C2)C1 1856845354 DBJAQXBECJJJSW-CYBMUJFWSA-N 444.435 0.917 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2247904680 PKNSZRFXDYBLGA-QWHCGFSZSA-N 442.347 0.663 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)n1 2255933535 POFLZCZZJVTGKB-UHFFFAOYSA-N 448.354 0.786 30 10 ICEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)o1 2267135486 DBKOLRUOMYCEMJ-UHFFFAOYSA-N 448.289 0.833 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267172538 BYCNHRJAUHMGGC-DZGCQCFKSA-N 448.329 0.733 30 10 ICEE Cc1nc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268625413 YIMYUFFPCLPPEB-CYBMUJFWSA-N 449.317 0.791 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1 30659101 ITSUILGERLOXSY-UHFFFAOYSA-N 441.517 0.859 30 10 ICEE N#Cc1ccc([C@@H]2N[C@](CO)(C(=O)O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 247636685 DYFVNSILHKNNTJ-JJDSTIRJSA-N 436.380 0.732 30 10 ICEE COc1c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-] 252592107 BDILAMBHYGKYTL-UHFFFAOYSA-N 444.452 0.908 30 10 ICEE C=CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 410068004 YRQLFZPUXMDSHX-INIZCTEOSA-N 439.534 0.362 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 476160542 PVCQFMDCFSICMT-QGZVFWFLSA-N 443.525 0.363 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cn1 507517505 MNKYBYGMFPGIGS-UHFFFAOYSA-N 428.517 0.514 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)cc(C)n2)c1=O 538497230 JJFCMHAAFUXSFT-UHFFFAOYSA-N 428.514 0.464 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C(N)=O)cc2)c1=O 588156689 PUDNHOKYWVXNBX-UHFFFAOYSA-N 433.493 0.604 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 611732738 POLCEMYKXGYBHX-UHFFFAOYSA-N 446.510 0.840 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758067437 GIQUSFOOZYNEDM-UHFFFAOYSA-N 439.493 0.352 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ncn(C)n2)C1=O 768418414 STHWBFWKYOPSQQ-YZNZPZSRSA-N 444.565 0.321 30 10 ICEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCC1 771073014 CDFSUKIGVAVUKU-KRWDZBQOSA-N 430.486 0.602 30 10 ICEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774162440 KVURJASKGGOWFA-LJQANCHMSA-N 432.546 0.406 30 10 ICEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 783001258 LMNXZPNTQOKIQE-HNNXBMFYSA-N 448.528 0.857 30 10 ICEE COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1141584096 CFDLLVMDDIMSJM-HNNXBMFYSA-N 435.278 0.647 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286389874 SBDRSVVGSGJMCR-DLBZAZTESA-N 429.550 0.704 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CC1 1286470601 AJKATWLCHGNKLH-OXQOHEQNSA-N 438.598 0.585 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1286494497 URROKGDZFNUZKH-UHFFFAOYSA-N 438.598 0.772 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1286496284 PKCDJAAXPDZIOH-CQSZACIVSA-N 444.583 0.533 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286774878 NDJBVBPQRIEOLU-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE CN1CCn2nc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2S1(=O)=O 1358096980 IGIAMWLNKLDSKF-UHFFFAOYSA-N 442.501 0.880 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cc[nH]n1 1358941752 WNFKXPHVUOAVFW-UHFFFAOYSA-N 427.490 0.571 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1358969175 IKSKGQMODJVPHG-CQSZACIVSA-N 429.568 0.174 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1(O)CCOCC1 1360692818 ABIPPRSDVDTXFV-QAPCUYQASA-N 440.570 0.950 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)CC1 1479523954 FYMDPOJZYNMYEH-LFDOHDQPSA-N 439.534 0.056 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNS(C)(=O)=O 1499140909 INXLUMZVBLYJSC-UHFFFAOYSA-N 435.558 0.020 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCOC1 1503434917 ZYGRPYLOYHUVAK-MRXNPFEDSA-N 434.522 0.845 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1503833076 CFXMMAZRUUNJER-AWEZNQCLSA-N 436.494 0.240 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1507518439 VGSWEUGNMFEXHP-CABCVRRESA-N 432.550 0.949 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2noc(CC)n2)CC1 1507738051 IPQPYEGQROLJLZ-OAHLLOKOSA-N 440.508 0.383 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1510181642 OXQWFMQEAIJPOY-SOUVJXGZSA-N 426.543 0.558 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)n3C)CC2)cc1 1531315817 GJSVEQUOQZMTHQ-UHFFFAOYSA-N 431.518 0.787 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nncn2CC)CC1 1539488467 JRLTUTHOYORXEE-UHFFFAOYSA-N 439.524 0.026 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1539750579 RUOVIXWTPKQLDL-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541160931 UISUGDBSTDONHM-UWZWCOGJSA-N 428.497 0.316 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 1588848585 IYZDRIYMDIRQST-UHFFFAOYSA-N 426.496 0.622 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1595806003 ZCFMYLYYIUGAEX-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1596212211 FHWMQPDMNLZAIK-IVCWUWDKSA-N 443.508 0.365 30 10 ICEE CN(c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1)S(C)(=O)=O 1606591077 DPDNGISBHWSEJU-UHFFFAOYSA-N 436.515 0.549 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 1667520510 AHMDIBKQMBQJON-UHFFFAOYSA-N 431.474 0.589 30 10 ICEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1680806494 AGQZWORSMYNVMF-YOEHRIQHSA-N 432.568 0.016 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690124268 IFJYNYRDBAPXRY-RTWAWAEBSA-N 429.613 0.953 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1705612834 PWRYNRNROUKEMK-CQSZACIVSA-N 439.567 0.473 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1705903364 UDCXZHVZXOTIEG-UHFFFAOYSA-N 439.524 0.033 30 10 ICEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1722355108 QHLPDSKOAZATIA-CQSZACIVSA-N 442.542 0.205 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740620952 ILVXMJXJPGQMJG-VXESANQCSA-N 448.549 0.235 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740950754 GICMLZCERQNMHS-MRXNPFEDSA-N 442.524 0.967 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1741131664 GYFHBYBSCDXXDH-KBPBESRZSA-N 439.567 0.906 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1747605883 AACHONJMHJOKOV-HNNXBMFYSA-N 444.583 0.202 30 10 ICEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748360514 DYHVALKUJCSLFH-MRXNPFEDSA-N 441.540 0.894 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCS(=O)(=O)C(C)(C)C)CC1 1749019078 KCMJGWDZRUGGKN-UHFFFAOYSA-N 439.582 0.994 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760192118 DWOLQEKYSHJHCN-BQFCYCMXSA-N 449.533 0.974 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760520983 GQJXNDBSVCNOHL-KRWDZBQOSA-N 443.552 0.903 30 10 ICEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CCO)c(C(=O)O)cc3=O)cc21 1857882693 GVBRBTHIBGLJAU-UHFFFAOYSA-N 428.397 0.712 30 10 ICEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865729213 FBPFAJXZKCILKL-MRXNPFEDSA-N 438.484 0.966 30 10 ICEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCN(C)CC3)ncnc21 1873596223 NDJMYADLGMJXLR-UHFFFAOYSA-N 443.533 0.794 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 438675898 AMLQSEFNUFNCKE-UHFFFAOYSA-N 435.550 0.827 30 10 ICEE COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 499842361 HEHUBGYDAZQVPR-UHFFFAOYSA-N 429.521 0.940 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 501538942 SNIRWWZZSCRPST-OAHLLOKOSA-N 426.502 0.713 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 505699527 JFEPBMRLSQVWSL-MRXNPFEDSA-N 441.557 0.693 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 538360916 VLIRORSPAUTRMK-UHFFFAOYSA-N 427.593 0.949 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 603801141 YTFHGLKKFDKVCN-KRWDZBQOSA-N 425.510 0.879 30 10 ICEE C#CCN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 729332638 SJSGZFNSDAIVFK-LBPRGKRZSA-N 439.287 0.694 30 10 ICEE CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 735200855 NJQOIBDEKKIFLU-BMNAETFISA-N 428.536 0.323 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 758459540 ZZQXJBXUDIMHTM-ZZEZOPTASA-N 430.486 0.717 30 10 ICEE Cn1cc(S(=O)(=O)NN=C2CCOc3cc(Cl)cc(Cl)c32)c(=O)n(C)c1=O 758878806 LEWPSIWHRBQBDV-UHFFFAOYSA-N 433.273 0.856 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(CCCCCC)c(=O)nc1O 772649706 OQTUTELQMOLAAT-AWEZNQCLSA-N 431.536 0.340 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286628788 GHIZRTRQEIBCRI-RDBSUJKOSA-N 444.945 0.078 30 10 ICEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1291813656 SZLWPZFCAAPIPD-UHFFFAOYSA-N 439.472 0.487 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1300587539 WNVBTTPVMKDCEP-UHFFFAOYSA-N 431.500 0.838 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301036860 MUBQQLPEIQBVKV-XOKHGSTOSA-N 435.960 0.971 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@@H]1C 1301401617 CPQSZOROHXIAMZ-JTDSTZFVSA-N 441.554 0.329 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC(=O)NCC2CC2)cc1 1302999692 CGRQZSSDOYEUDA-UHFFFAOYSA-N 428.518 0.824 30 10 ICEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)C(C)C 1312809022 XKEBZQWEISYUJV-SFHVURJKSA-N 435.550 0.592 30 10 ICEE C=CC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1454614492 DOVSROXFBCENMA-AWEZNQCLSA-N 430.523 0.988 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCCC=C)NC(=O)OC(C)(C)C)CC1 1455115828 SJBBTUBCUJVPQC-INIZCTEOSA-N 428.555 0.848 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1462894971 HOFYJDFLPFKRBP-LSDHHAIUSA-N 438.568 0.627 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1470762215 FDWKKZHZMRWMTD-ZWKOTPCHSA-N 444.517 0.592 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 1475623208 VKEVSZRQIJRSJZ-UHFFFAOYSA-N 430.310 0.906 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508141626 NPCVBRVTEZYQOZ-KXBFYZLASA-N 439.538 0.804 30 10 ICEE CC[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512793876 XATMWRWSYPGWCF-HJUNTIBCSA-N 436.538 0.941 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1539012257 FIGLYHHJIMKBEM-DGCLKSJQSA-N 425.540 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540870813 XROICOZXZSJLFV-DOTOQJQBSA-N 445.524 0.241 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1541911646 UTJWLERRKLQUGM-XOBRGWDASA-N 445.549 0.875 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C[C@H]1O 1554545429 MXAUIODYNROWKM-QZTJIDSGSA-N 441.488 0.718 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588024391 AWWNEJAATMGLPS-UZLBHIALSA-N 435.550 0.302 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588053234 BIYHOCAOOXZHHE-XFQAVAEZSA-N 449.577 0.797 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1588055443 VXDYNRGVMMGGDW-IAGOWNOFSA-N 430.534 0.750 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588129101 XABMNTBIBJNDBY-HNNXBMFYSA-N 444.517 0.360 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N(C)C)CCOCC2)CC1 1588751041 HZVOHFCVFMUSAA-LJQANCHMSA-N 434.585 0.868 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1595529947 NOACYYJFZDWQNF-UHFFFAOYSA-N 432.492 0.574 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1595830366 AQLCQTORGRPUIQ-UHFFFAOYSA-N 435.554 0.763 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1627517299 DDPONDQIFNQGJG-YOEHRIQHSA-N 444.517 0.380 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCCC1=O 1629700624 WMXCKQUJKXXABM-OAHLLOKOSA-N 434.518 0.939 30 10 ICEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1634656811 YSPLCTRRPVVXDC-RVKKMQEKSA-N 440.547 0.323 30 10 ICEE CC#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1639840062 IJXVWDQWEYVLAF-QGZVFWFLSA-N 439.509 0.329 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)C(=O)C1 1640708919 LFLSZVQCHKRGLW-QGZVFWFLSA-N 449.577 0.516 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705566653 PWUKBWFZICGWOZ-ULQDDVLXSA-N 436.582 0.586 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1705598622 MRHBVBPLMXDOIC-GOSISDBHSA-N 446.533 0.727 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705651761 HDNPHEQAJHYBJG-JYJNAYRXSA-N 426.612 0.928 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705805886 QXQSOFBJGXTHFY-HOTGVXAUSA-N 440.570 0.634 30 10 ICEE CN(CC1CCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1711139768 NLCBDJVGEBVVOD-DXQAYGFFSA-N 448.549 0.943 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722532630 RTOQYDRZTDBKPY-FUHWJXTLSA-N 445.568 0.611 30 10 ICEE CCOCc1nnc(N2CCC(CNC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729021995 RMQUYNOCRSWDKZ-FMQUCBEESA-N 445.524 0.694 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1740624934 LFHXKHRQDSRULV-SFHVURJKSA-N 439.545 0.981 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1740627153 YRTUFAANQSEGRN-IAGOWNOFSA-N 428.518 0.169 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740963383 JISDYJHUIOPPBT-HNNXBMFYSA-N 428.497 0.778 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1748673147 ZJXAXAIRVUGZJW-CABCVRRESA-N 428.580 0.996 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748803361 XZOUZINICRIPQS-OXJNMPFZSA-N 437.566 0.692 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Cl)cn2)CC1 1749001139 JWPGFXPWOGNDQL-UHFFFAOYSA-N 446.943 0.932 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749210846 PHGHJZBHPGJHFO-SFHVURJKSA-N 447.584 0.752 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1749650668 DZMHADZYMWXTAU-UHFFFAOYSA-N 438.492 0.334 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1760118161 ZGFONKLYZODCMJ-PBHICJAKSA-N 435.554 0.733 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1760234097 TWYGVEBPCCXLSQ-ROUUACIJSA-N 438.598 0.802 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760280183 DGAOLWYEMMPEQU-HOTGVXAUSA-N 435.579 0.980 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 1760440333 HJMCKAIWVJJQBR-QGZVFWFLSA-N 442.586 0.346 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1760528690 JZTSMYRSGNWEEW-NRFANRHFSA-N 434.541 0.537 30 10 ICEE CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1769182966 FVZXGJSTPYQGOO-YJYMSZOUSA-N 449.512 0.738 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2=O)CC1=O 1854018378 LCPZMSJELUYGOU-LBPRGKRZSA-N 427.429 0.359 30 10 ICEE COCCN(CC(=O)N1CCCC[C@@H](N2CCC(CC#N)CC2)C1=O)S(C)(=O)=O 1857184904 CKMOOVMLHAOWMY-QGZVFWFLSA-N 428.555 0.428 30 10 ICEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873561196 TXXWCHBROSGBBA-UHFFFAOYSA-N 431.493 0.387 30 10 ICEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1873599478 YAVSJCDZHCYAEX-SFHVURJKSA-N 425.489 0.963 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2267596521 KADBOCOKXCSQRK-QWRGUYRKSA-N 443.235 0.492 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@H]3O[C@@]32CO)[C@@H]1C 299817639 LYJKREGDQDJIDC-SFACJSJNSA-N 433.457 0.485 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)C1=O 447701490 RYYCRNDZXXSSMN-UHFFFAOYSA-N 427.421 0.262 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ncccc2C#N)CC1 474411954 JBAJHNZOLCKHNC-FQEVSTJZSA-N 426.477 0.217 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 492352736 DDXAXCASNPBUAY-UHFFFAOYSA-N 436.578 0.808 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 494509477 TVXPQUOBHWSFCL-UHFFFAOYSA-N 428.470 0.569 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(F)c1 586860610 LPVKBJZLWVHHNU-UHFFFAOYSA-N 442.472 0.917 30 10 ICEE CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl 732707851 GDSDWOGCYKVQLH-CQSZACIVSA-N 439.925 0.728 30 10 ICEE Cc1ccc(C=NNc2nc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)n[nH]2)o1 1083886585 VQYJWQVSOLKJNB-UHFFFAOYSA-N 448.553 0.913 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1 1152859459 VHUBSNGFHSMZNG-UHFFFAOYSA-N 433.511 0.444 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 1203505464 FNCSTWLPKHNBEB-UHFFFAOYSA-N 446.537 0.577 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286396765 WJUVGKUPLAFRDD-ROUUACIJSA-N 437.566 0.131 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(OC)CCOC2)CC1 1286485562 PYIDPKUDDUFWGI-QFIPXVFZSA-N 444.536 0.285 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286495648 BKKNVRGJYKWYST-ZIAGYGMSSA-N 426.568 0.066 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(=O)(=O)CC 1286721964 MYZPXZXGAXWFFX-UHFFFAOYSA-N 441.583 0.800 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1300305028 RSOTVZLFWFTHDU-OAHLLOKOSA-N 435.488 0.509 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1300465413 MFRLMOBAHYWSJV-GJZGRUSLSA-N 431.509 0.606 30 10 ICEE C#CCN(c1nnc(C)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300481331 AFOJVKWUKVPHGD-INIZCTEOSA-N 437.547 0.192 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300491738 IKQGBXWXUTZYDI-RDJZCZTQSA-N 429.550 0.845 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1301257957 HUPPTDDUCZVKOQ-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301593238 KNSOFZZOSACLBW-LJQANCHMSA-N 427.571 0.716 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)C1 1302978914 LWRKPMHNQDAUIK-HDMKZQKVSA-N 427.502 0.818 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sccc2Br)CC1 1309802673 WLAHKDSVYMYKJF-UHFFFAOYSA-N 428.355 0.285 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCN(CCC#N)CC2)C1 1313275169 NYOWTENJNTVYJN-INIZCTEOSA-N 443.570 0.651 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1358941675 SPZDPFNRRMYFQF-FOIQADDNSA-N 433.534 0.805 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358965649 YTVINFAGHLJTKD-OALUTQOASA-N 445.545 0.696 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1359400822 YLFWRODMSWSFEZ-QGZVFWFLSA-N 444.927 0.886 30 10 ICEE Cc1ccc(S(=O)(=O)C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1455439628 DIWCLOLTLKFWQA-UHFFFAOYSA-N 430.486 0.984 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(Br)cc3-n3cncn3)C2)c(=O)nc1O 1457195842 AXIJOXPDKROWNM-UHFFFAOYSA-N 442.233 0.861 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)CC1 1473873849 XLVMGZVTDDAMAC-XBBWARJSSA-N 426.631 0.965 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1508088522 YOIKANIIRRFTOJ-UHFFFAOYSA-N 430.484 0.781 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508131464 MRSWOBCFSFZPIL-AWEZNQCLSA-N 447.521 0.193 30 10 ICEE COc1ccc(N2C[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)cc1 1531608801 UVEMRLMILOFXBZ-ZDUSSCGKSA-N 428.470 0.655 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)Cc1ccon1 1539025112 DOFBEDSEUYFCMI-OAHLLOKOSA-N 446.537 0.705 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540903372 CFDUVNCDRLMCIP-HOTGVXAUSA-N 433.490 0.979 30 10 ICEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1558806012 APXCZRRMLLUNDJ-VLIAUNLRSA-N 433.465 0.618 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1589070927 ZETIPMYVBUBXMA-CVEARBPZSA-N 428.580 0.788 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1593884039 AXKFAELPAVKRMX-ZDUSSCGKSA-N 448.933 0.252 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595831763 VQBXTIIIRYBLOF-DLBZAZTESA-N 427.571 0.887 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1618761372 AQMNOPYTZACULU-INIZCTEOSA-N 445.549 0.671 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1ccnn1C 1633662982 YZRBRZUVRKNOEG-NONVJHHQSA-N 446.508 0.584 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1644285087 HGTHMWQUQGZUTM-UNMCSNQZSA-N 446.573 0.137 30 10 ICEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1645506386 GRCGTWAJSXFHGY-OIISXLGYSA-N 428.482 0.964 30 10 ICEE N#C[C@@]12CN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C[C@H]1CS(=O)(=O)C2 1646439659 NJMDXMPIRLFGDL-LPHOPBHVSA-N 433.511 0.515 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 1650846265 PKDBJMWJMLMBAY-QGZVFWFLSA-N 431.522 0.149 30 10 ICEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 1654677625 BBRZFVIUOUPKHJ-OAHLLOKOSA-N 439.559 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)CC1 1680064561 SGXULJWAZNQRBY-KRWDZBQOSA-N 432.506 0.457 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689988197 KTXFJMKFFDAFIG-HUUCEWRRSA-N 446.533 0.763 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988778 WDYDJGCIWXFNNO-JKSUJKDBSA-N 445.549 0.667 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690655074 GMFIAFGWUUIIRH-UHFFFAOYSA-N 446.556 0.400 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1705633455 RHEOHFKXNYECQG-XMTFNYHQSA-N 438.598 0.847 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705662215 STCCVULJZXBLSB-GJZGRUSLSA-N 425.580 0.638 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1705904312 LUHPQNGOWIIWDV-JKSUJKDBSA-N 441.554 0.113 30 10 ICEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705942982 KPYMPLHLEKEEOQ-UHFFFAOYSA-N 444.565 0.828 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722457828 OWOUXDJZAUQIEF-UHFFFAOYSA-N 440.577 0.846 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722461741 PSUKSFKGWWLFTR-HUUCEWRRSA-N 445.636 0.919 30 10 ICEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722556763 FWHBXAHPZRUBFD-AWEZNQCLSA-N 446.895 0.765 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1722723963 JRQBZLXCOSDTQU-YOEHRIQHSA-N 444.583 0.619 30 10 ICEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1747315486 PFEIZHZUPGQAMY-GOSISDBHSA-N 437.504 0.780 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749649841 CMXKISPXMQFMLE-GCKMJXCFSA-N 432.525 0.589 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1749651323 SHMUTDSMENBGBE-UHFFFAOYSA-N 426.481 0.286 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760188753 MIXRLWDCGCLBTN-LZLYRXPVSA-N 433.534 0.951 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760525190 XJOVBNGDJFUPIE-QGZVFWFLSA-N 427.484 0.866 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CC(C)C)C3(CCCC3)C2=O)CC1=O 1856447102 OUJPIGDPSJREAN-MRXNPFEDSA-N 425.551 0.990 30 10 ICEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(CCOC)CCOC)n1 1871507349 MCQNZPHIKPPEEP-UHFFFAOYSA-N 437.526 0.382 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1=O 1872994433 QNQONPCRZWCZGU-IAGOWNOFSA-N 442.491 0.884 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCONC(=O)OC(C)(C)C 2247881682 CJLPHJAJCIESPP-UHFFFAOYSA-N 446.335 0.454 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405654 SIXMMGMZRDNZPK-MNOVXSKESA-N 440.331 0.737 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 553583969 ZCJIINWIPQTVMY-UKRRQHHQSA-N 428.536 0.155 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 558496937 PXTJGRUNMVFJLS-UHFFFAOYSA-N 435.485 1.229 30 10 ICEE CCc1c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 561101157 MCPYAXMQBVVCBV-CQSZACIVSA-N 434.456 0.755 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cc1 729674758 LKFAOWSMASDWJT-UHFFFAOYSA-N 446.550 0.835 30 10 ICEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 743909257 VMIBMDZUWSWIHR-LJQANCHMSA-N 440.548 0.974 30 10 ICEE CN1CCN(C(=O)Cc2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)CC1 746638557 FBIYDFJMUKHBHU-QURGRASLSA-N 425.489 0.858 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(Cl)cc1 811963036 FJTVBTRNUMFRDK-SFHVURJKSA-N 439.969 0.834 30 10 ICEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 816807482 ITAYWCYNDSXBAT-CQSZACIVSA-N 427.548 0.931 30 10 ICEE O=C(O)C[C@H]1OCC=C2CN3CC[C@@]45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6N[C@H]4[C@@H]1[C@@H]2C[C@@H]35 1073363990 IVEMPCACOMNRGI-YSUBIPBVSA-N 427.413 0.035 30 10 ICEE COc1cccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)c1O 1084082531 GLKGBCMWZHPOHL-UHFFFAOYSA-N 443.449 0.390 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NCC)CC1 1286480435 WPDBACLGMXOPTE-UHFFFAOYSA-N 441.536 0.923 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1300402445 WVJYDSZSLISISJ-HNNXBMFYSA-N 430.910 0.783 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1301289729 NICNYPKVROYRRL-HXUWFJFHSA-N 444.517 0.364 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCOCC2)C1 1301477727 DJNRPPZITZRKIF-UHFFFAOYSA-N 434.541 0.885 30 10 ICEE C[C@H](O)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1303889372 CYTQILDXPXDBTR-ZQIUZPCESA-N 434.522 0.719 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1359208792 UEANOOHWACMQMH-CQSZACIVSA-N 434.588 0.326 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1359282320 XARAPKAYROUBOE-IRXDYDNUSA-N 441.554 0.595 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359303942 GFKSTBIPVXTCOO-QGZVFWFLSA-N 441.540 0.753 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1360684152 LFLVLWQLCPLREM-FZKQIMNGSA-N 441.533 0.637 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)cc1 1455636588 KUNVXNYTXKYLOM-HNNXBMFYSA-N 431.474 0.870 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)cc1 1455636591 KUNVXNYTXKYLOM-OAHLLOKOSA-N 431.474 0.870 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456611193 DWKVJCRIAMGKAU-TWOQFEAHSA-N 434.518 0.914 30 10 ICEE CC(C)N(CCCNC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1)S(C)(=O)=O 1460638652 OKNPAUFJEBIRGA-UHFFFAOYSA-N 439.557 0.996 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)C1CCOCC1 1470868352 XYWYJAXISZUDQO-SOLBZPMBSA-N 428.555 0.096 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507914418 KMVKCMNMZBYYEO-HOCLYGCPSA-N 442.586 0.832 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1540073699 SKHZWRWQEHKLTC-AWEZNQCLSA-N 428.559 0.396 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1588581318 NKSVYRXZRJVGOF-QFBILLFUSA-N 426.539 0.451 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1593747037 QBDNLZUESBCFQB-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)S(=O)(=O)CC)CC1 1594014727 VGYQTZBDPHAKIS-OAHLLOKOSA-N 448.615 0.716 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C#N)c(I)n2)C1 1614553266 WYUSCFONCUDYDO-ZDUSSCGKSA-N 431.278 0.832 30 10 ICEE CCN(CCC#N)C(=O)CN1CCN(c2ncc(I)cn2)CC1 1647954791 JYNYDMGCBPUUOZ-UHFFFAOYSA-N 428.278 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 1677683265 OFCZCUNOQQNQRG-MRXNPFEDSA-N 443.570 0.571 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCO[C@](C)(C#N)C2)C1 1687572820 YXVBMMVTHMFYOF-RDTXWAMCSA-N 430.527 0.735 30 10 ICEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N1CCOCC1 1690526203 YUTKABQKMSVBIC-UHFFFAOYSA-N 426.525 0.933 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690673554 XSCHMPTYQOTZBP-QFIPXVFZSA-N 425.537 0.867 30 10 ICEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1696995774 DFYPRZWBYWGNKQ-UHFFFAOYSA-N 446.533 0.878 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1722297374 ZILZLRROJWIECA-HNNXBMFYSA-N 432.554 0.459 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1722435288 GCAUJAJEWLGCRS-UHFFFAOYSA-N 429.488 0.725 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1722671981 HHBRBRDIRUIBEE-CRAIPNDOSA-N 443.595 0.657 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1722671984 HHBRBRDIRUIBEE-YJBOKZPZSA-N 443.595 0.657 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748719207 WKXNGNBITKMVLL-HZPDHXFCSA-N 448.549 0.456 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749755865 NDYKZLURQCVLQB-HOTGVXAUSA-N 443.595 0.441 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749964203 REGKSISCUMHCFM-ZJYNUGOYSA-N 443.508 0.413 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CCO1 1750388974 UWTBTQUIZKNOGC-MSOLQXFVSA-N 431.541 0.366 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1750908313 XENYWOGEMZFFDS-UHFFFAOYSA-N 439.520 0.761 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760187158 IGILEHUHVXVXRQ-KRWDZBQOSA-N 435.550 0.421 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1760200445 JDFZCKBIAKXASV-UHFFFAOYSA-N 429.484 0.791 30 10 ICEE N#CCCN1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1855045614 JZRLUZHVUZEVRJ-MRXNPFEDSA-N 438.937 0.772 30 10 ICEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 1897684805 XAICISSSIMLBJC-KKUMJFAQSA-N 429.514 0.915 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 514644893 DSKDMHIRYSBXJB-OAHLLOKOSA-N 449.479 0.633 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 514919726 QYWWZFKPOIVRTE-UHFFFAOYSA-N 441.509 0.903 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 726795878 YOAYDEWZUJHGEY-OAHLLOKOSA-N 432.545 0.038 30 10 ICEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1S(=O)(=O)N(C)C 757167553 YZFHGRSKAKGYCP-HNNXBMFYSA-N 435.506 0.083 30 10 ICEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 813980607 IZHGGDKTRNWDTH-RDJZCZTQSA-N 430.490 0.880 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc2c1OCO2 838532655 BLQABMVWUZURMR-UHFFFAOYSA-N 440.481 0.006 30 10 ICEE C=CCN/C(S)=C(/C(O)=c1cc2c(cc1F)=NC(=O)CC2)n1ccc(=[N+](C)C)cc1 917607817 UPVZLNMEYQKTLU-UHFFFAOYSA-O 427.525 0.949 30 10 ICEE C#CCCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1136499212 OURBUIQSIJIMAI-KZNAEPCWSA-N 439.578 0.824 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286392654 JDODYCPWJQWFBI-SQNIBIBYSA-N 438.550 0.604 30 10 ICEE CNC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1299234884 CUMNEVCJGPHYHL-CQSZACIVSA-N 430.465 0.836 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1301569269 USFSAIXAFATJOJ-GJZGRUSLSA-N 448.615 0.020 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3OC)nc2O)CC1 1302923643 BKBGQPRRQSIMLE-UHFFFAOYSA-N 430.486 0.688 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1314976057 BTCVRURBSUZABV-HXUWFJFHSA-N 446.533 0.736 30 10 ICEE CS(=O)(=O)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1316344890 GAZZQMBSPCVTEZ-INIZCTEOSA-N 429.506 0.680 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962378 OVXSQJUEOWYQMT-INIZCTEOSA-N 430.534 0.754 30 10 ICEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Br)cc1 1450271273 KOKXZJZLWYAUOI-GFCCVEGCSA-N 440.275 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CC1 1478940748 BEVDGYPBROAKOQ-AWEZNQCLSA-N 426.461 0.671 30 10 ICEE COCC(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504538078 IFWBJGZLXNCASD-CZIZESTLSA-N 445.524 0.659 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1508081264 WFJROPJOKGYTJE-FQEVSTJZSA-N 448.531 0.924 30 10 ICEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519398804 PJRPASXEGROUBM-UHFFFAOYSA-N 442.524 0.673 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC 1539017298 ZFBONTAYJIHQCA-DLBZAZTESA-N 426.587 0.801 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1539267091 WGALSDIYROSSNQ-QGZVFWFLSA-N 444.517 0.136 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540869740 VLPVQUNGMVEZFD-INIZCTEOSA-N 442.524 0.458 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1555818438 ZKCIMQMPHNSDAM-HZPDHXFCSA-N 429.506 0.081 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1587638036 AVXDKOKTPDOTKK-GGNAOWBESA-N 432.506 0.165 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1588034608 JCHVVQHYEGNGRV-KRWDZBQOSA-N 441.517 0.872 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1589442894 FSTHIYCOYWGUEW-LBPRGKRZSA-N 427.303 0.260 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619913845 RNLZHJWQWIOATB-SFHVURJKSA-N 439.563 0.846 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1624645548 RWJJMOIIICFUJL-INIZCTEOSA-N 439.559 0.787 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)ccc1F 1635448078 ODHDWDWGUVCLNN-CYBMUJFWSA-N 434.515 0.078 30 10 ICEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1635693232 WFYAWZZGJVYUCP-LPHOPBHVSA-N 439.559 0.595 30 10 ICEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C(C)(C)C 1641627857 WMNYXJDVHRPKCQ-KRWDZBQOSA-N 441.575 0.899 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 1643372219 BGLCZJBHPOKNJJ-QUCCMNQESA-N 448.545 0.217 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)cc1 1645230883 GZIFNEUSLQCION-UHFFFAOYSA-N 429.502 0.801 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 1680778833 MZVZUWPNUXASGL-IIBYNOLFSA-N 425.445 0.763 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689982174 JADFTGGCCOPZRO-UZLBHIALSA-N 438.550 0.470 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1689986208 KWMZQBBVQOMLHZ-GOSISDBHSA-N 432.550 0.545 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)nc2)CC1 1690132100 HKLDZHBKPZVMHF-UHFFFAOYSA-N 433.520 0.437 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1696622780 ARBSNXHUIGOSOY-MRXNPFEDSA-N 431.522 0.410 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1705564616 DCQVYRMJQLCVPG-NVXWUHKLSA-N 449.533 0.982 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1705570471 PZPQSAXAMJKWJG-KRWDZBQOSA-N 440.533 0.550 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)N2CCCC2)CC1 1705639791 WOEDVURSPHMGPU-MOPGFXCFSA-N 434.610 0.810 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1705896548 QFOXIPFAJOVZML-UHFFFAOYSA-N 446.533 0.319 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705936222 LYSZOKVZHOYDLB-OAGGEKHMSA-N 439.538 0.708 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1722367329 VWOKWEXIYLMXQU-KGLIPLIRSA-N 449.624 0.268 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1730758903 DRTNEMOJUIRVDK-UHFFFAOYSA-N 426.543 0.608 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1740620995 ZBFSLFROUIJRTQ-INIZCTEOSA-N 441.517 0.757 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741124651 NGSRETFPHZYKRC-OHTQGHCMSA-N 426.481 0.636 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749457043 FECGURFSXNLNDT-IAGOWNOFSA-N 437.566 0.974 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CC1 1760260403 QULZKQSJRHYSJZ-HNNXBMFYSA-N 447.341 0.644 30 10 ICEE COC(=O)c1sc(C2=C(N)N(CCc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1C 1872796270 SHWCCGSFCLBQQN-UHFFFAOYSA-N 436.515 0.640 30 10 ICEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562875 XJBNJWHPXBYSQH-UHFFFAOYSA-N 446.508 0.323 30 10 ICEE C#CCn1ncc(NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234024295 DYVVMUJDMGKWEY-YRGRVCCFSA-N 443.298 0.392 30 10 ICEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267526240 OUBJTTSWQFHKMS-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270500259 KVNACXLXIJYCRZ-KRWDZBQOSA-N 425.507 0.588 30 10 ICEE CC(C)CN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 464862162 HPANTCZVCRMEJS-DLBZAZTESA-N 434.566 0.530 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)n1 479367276 RTVKQAIQSFCFOZ-UHFFFAOYSA-N 442.541 0.374 30 10 ICEE N#C[C@H]1CN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCO1 517306450 HHQPQXCNXNYDOW-ZDUSSCGKSA-N 430.280 0.553 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)n1 545492513 AHGPHYPAAVCSPD-UHFFFAOYSA-N 434.504 0.521 30 10 ICEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546919057 BPCCTZQODRMLIN-UHFFFAOYSA-N 428.518 0.964 30 10 ICEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(-c2ccccc2F)n1 768085138 DDIBPJIBZWUNAN-ISLYRVAYSA-N 426.408 0.901 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 790104509 PCTMHBQOEGDREN-MRXNPFEDSA-N 429.502 0.730 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 804191428 YIRSAJMCQIOURR-CQSZACIVSA-N 442.563 0.388 30 10 ICEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC)[C@H]1CCS(=O)(=O)C1 812025999 HGGNYZBCIZBEDB-AWEZNQCLSA-N 436.563 0.885 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCN(C)C1 1286286139 UHGRCIKKERRGQP-YWZLYKJASA-N 431.566 0.763 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286383669 YOLAKFFUMLEDHC-OKZBNKHCSA-N 449.577 0.956 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1286389355 IMSQNOPDEPMDRS-LSDHHAIUSA-N 448.505 0.039 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286513647 XGUUWEQZGCXZKF-UZLBHIALSA-N 434.566 0.853 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286787272 DWZWHZFRJDTHAM-SJORKVTESA-N 431.541 0.666 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1286818728 ZUCXWJFCMVGBFZ-CHWSQXEVSA-N 437.613 0.431 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286819028 XBEHWKKZTBBGRH-HNNXBMFYSA-N 446.537 0.376 30 10 ICEE CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1295809739 AOHWNMLKMBSFOE-HUUCEWRRSA-N 446.599 0.590 30 10 ICEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300319640 CQIXRHKETJQRMK-YWZLYKJASA-N 429.502 0.736 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300657734 ROAPSZKLBNKZNC-HXUWFJFHSA-N 434.518 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1301568180 DBXLAICDBMBJME-KBXIAJHMSA-N 431.584 0.724 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1301596559 RXBPSWRMJWORKG-QGZVFWFLSA-N 435.554 0.791 30 10 ICEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1302171747 CIBSSQPCACYDLQ-GOSISDBHSA-N 448.549 0.950 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1316535249 HHLXWUGMBKWLLJ-KRWDZBQOSA-N 448.911 0.989 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358957060 PBSBDBHLHSJMSY-UWVAXJGDSA-N 438.550 0.593 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1358978370 KSGQRDNXWZJALW-RTBURBONSA-N 433.578 0.610 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359049809 WQDFNQQMANANTG-LSDHHAIUSA-N 437.595 0.982 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1359296611 OYFKCJLFXLOXDP-HNNXBMFYSA-N 428.493 0.979 30 10 ICEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1468480873 FORQEWGBVPZOGG-MRXNPFEDSA-N 428.532 0.895 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1468971233 FQBWMMWWMBAAJZ-UHFFFAOYSA-N 440.547 0.519 30 10 ICEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1494600883 AORJZVSRSALRPN-SJLPKXTDSA-N 439.520 0.761 30 10 ICEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1507640807 WKKVFWYNICCFHU-KRWDZBQOSA-N 445.545 0.928 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1507644829 PTUBQZRAVNSTFD-GOSISDBHSA-N 431.504 0.714 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1510224226 PCQKKDLSUCARHG-ACJLOTCBSA-N 436.494 0.397 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1517620553 IWWGGJGLMKTSRL-IAGOWNOFSA-N 446.533 0.857 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(F)(F)C1 1521423811 VESSFOANFNRYGO-JQIJEIRASA-N 435.435 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 1539481766 OFBGNRYEZZLLSE-SFHVURJKSA-N 447.561 0.493 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1540863506 XPFYGLSPYZPWID-CYBMUJFWSA-N 436.513 0.892 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540868069 QSKQGDKPMIVQHX-GDBMZVCRSA-N 429.477 0.616 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540873436 XNILDNUEAVDQDT-UHFFFAOYSA-N 438.579 0.704 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 1540882357 HGWUOAPIWQBAON-GJZGRUSLSA-N 440.570 0.715 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552891672 QSNKSVBICDDTMF-QGZVFWFLSA-N 449.606 0.998 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCC2)C1 1555812302 CTRCWFOVDZYPCP-YJBOKZPZSA-N 441.533 0.149 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1555989338 HXRRFUSBVDKUPO-IBGZPJMESA-N 444.561 0.898 30 10 ICEE N#CCC(=O)N1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1566318260 XIIXZOBYXIMMQK-UHFFFAOYSA-N 429.502 0.432 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1588054703 PNNMWSGQCXQPAK-IRXDYDNUSA-N 433.538 0.828 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1593746926 PIVANGPNQJNZJS-VQIMIIECSA-N 426.539 0.769 30 10 ICEE CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1615241451 CWEBIYRINLXMQZ-DCOQFNDQSA-N 436.538 0.941 30 10 ICEE CNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1618834021 BYHATSLSKTZVFB-ZCXUNETKSA-N 444.540 0.855 30 10 ICEE Cc1ccc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1642087450 AWTDQHABFYPJEV-INIZCTEOSA-N 438.355 0.684 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1 1670599795 KBOGBKWIYFQTBR-UHFFFAOYSA-N 427.479 0.867 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC)C1 1690699324 CQZBCUFQDYPMEB-CABCVRRESA-N 432.568 0.396 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1698491282 WJPDWEWCIOACGD-HZPDHXFCSA-N 443.895 0.869 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567975 DSOZYEMZYHJUFI-DLBZAZTESA-N 425.555 0.162 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1705582704 HSYMGZYYKHZZKG-SFHVURJKSA-N 425.514 0.661 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC(C)C)CC1 1705645196 NPRKUARZAURIQW-JOCHJYFZSA-N 446.552 0.421 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 1705648143 OPUBTCJGFMFYOM-QZTJIDSGSA-N 449.577 0.715 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N(C)C 1706621131 IDPLZKDGUSEUBW-CVEARBPZSA-N 440.556 0.743 30 10 ICEE CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)CCOC1 1710423755 PBGMNBSWBRIBJD-OAQYLSRUSA-N 444.492 0.738 30 10 ICEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1712173496 MCMYZSIJMNGKBD-ZIAGYGMSSA-N 427.440 0.905 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2=CCCOC2)C1 1712706268 JDPHCVZUPQZOGK-YJBOKZPZSA-N 440.501 0.400 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740628386 XHMGCNQZOKJGLV-MBOZVWFJSA-N 438.550 0.604 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1742023440 SSXSPPPZFZCYRA-OAHLLOKOSA-N 429.481 0.867 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748785226 OHNIJUAMUFMZQQ-LJQANCHMSA-N 428.474 0.213 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748820580 FEXUSQJHXGRPHL-KRWDZBQOSA-N 445.549 0.117 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1749574712 CTKFHTRHGMHVFJ-MRXNPFEDSA-N 441.554 0.331 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1750155007 WIBVPVSTXBOGQR-BZSNNMDCSA-N 434.541 0.842 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)CCn2nnc3ccccc3c2=O)CC1 1851206607 SWGHSLUNCLVCNQ-UHFFFAOYSA-N 433.472 0.814 30 10 ICEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1853542470 CDCNOSDVPGLIMV-UHFFFAOYSA-N 437.497 0.724 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243675949 CKGAIQWUOSBXLF-LBPRGKRZSA-N 427.332 0.944 30 10 ICEE C=C(CN(C)C(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248442836 XRPXZTUKCWSBBY-QLFBSQMISA-N 426.319 0.974 30 10 ICEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267598256 XGRFXLJXUBRCLW-QWRGUYRKSA-N 445.251 0.643 30 10 ICEE C[C@H](C(=O)NC[C@H](O)COc1ccc(I)cc1)n1cnc(C#N)n1 409635108 IYQZQCLGIGZINJ-PWSUYJOCSA-N 441.229 0.871 30 10 ICEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 429461204 HTRWMULHKONDJX-PVAVHDDUSA-N 431.518 0.583 30 10 ICEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1N1CCCS1(=O)=O 741095749 LMMSUPBTICNLOD-QGZVFWFLSA-N 431.518 0.672 30 10 ICEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2nnnn2C)cc1 771543191 MBDWBYGAFGYZIE-MRXNPFEDSA-N 444.565 0.761 30 10 ICEE Cn1cc(C#N)cc1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773311525 MQGGDVFTYGOKED-UHFFFAOYSA-N 440.503 0.431 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780944983 YRLBHWQGGNIBSA-IBGZPJMESA-N 427.482 0.980 30 10 ICEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 794580965 GWVMFIHNANNMND-UHFFFAOYSA-N 443.573 0.484 30 10 ICEE C=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OCC 801507106 GSZZWEVDVUXELL-UHFFFAOYSA-N 442.465 0.955 30 10 ICEE 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@H]1CCCO1 1138447249 OXXOAWDOAFLMGE-NQNKBUKLSA-N 426.535 0.954 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)CC1 1152974231 QDBBZTYVNKHQFZ-UHFFFAOYSA-N 449.533 0.605 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@H](C)CC 1286447842 NTFVGGHNNUPSHQ-HZPDHXFCSA-N 440.570 0.375 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1286487131 DFQYQDMLADRLFJ-MOPGFXCFSA-N 448.593 0.757 30 10 ICEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286676104 HNZJELGFTKPVAC-AOMKIAJQSA-N 446.552 0.680 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1297954088 DXQRWRIUOKXYLS-FHWLQOOXSA-N 445.568 0.844 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1300491303 GNXQVAVWZMAOLR-JKSUJKDBSA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1300495898 KQGMQYUERXPREC-QZTJIDSGSA-N 445.545 0.639 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1300556567 JCRQTAXWTCNWSH-IAGOWNOFSA-N 435.550 0.894 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)CC1 1300683102 LFURTJVBVXUDJN-OAHLLOKOSA-N 447.565 0.559 30 10 ICEE CO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315694968 YFZUCDYTVBBSEV-QFPXGYFVSA-N 443.508 0.656 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1358983157 XTGKSVHKBPJODE-UHFFFAOYSA-N 443.529 0.974 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)[C@H](C)CC)CC1 1359029036 MSOQFUKGURKLCR-IKGGRYGDSA-N 426.587 0.705 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359302828 VLEIJRRZNQYNOE-UHFFFAOYSA-N 447.565 0.426 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359333261 RWRMLFNVLALCCK-SOUVJXGZSA-N 432.568 0.395 30 10 ICEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cscn1 1450909387 UOBJZJNFZNINDF-ZDUSSCGKSA-N 433.515 0.666 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507635600 UERLAKPGBWKPPN-UULLZXFKSA-N 435.575 0.659 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2COCCO2)CC1 1507737767 DYKSXKRISKGLTP-GOSISDBHSA-N 427.509 0.450 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 1507799833 LBTLFAYJIQBSOL-VYDXJSESSA-N 438.554 0.292 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1539400029 YACFPICJAVMXDA-OAQYLSRUSA-N 447.561 0.501 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1539420114 BOJVAHJDFBPEJO-FQEVSTJZSA-N 430.534 0.834 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCOC)CC1 1539430217 HKDKRLQDFCVOSJ-VXKWHMMOSA-N 435.569 0.861 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1540201405 SOOFQZHSWFYQHE-QGZVFWFLSA-N 441.598 0.930 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540868278 YSGBSDUQDCUNJA-UHFFFAOYSA-N 428.541 0.232 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540902857 SGERGMXBXNSRPC-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1587562013 JXKUNGLYDDHFFE-CVEARBPZSA-N 447.565 0.626 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1588053062 AQDZYRZAKTVDRD-SJORKVTESA-N 436.582 0.588 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588069507 PLTLSCMALLBLCG-KRWDZBQOSA-N 449.577 0.986 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1595722837 NSBXXKNVYOFCDH-ZACQAIPSSA-N 425.555 0.987 30 10 ICEE CNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1596929821 FNBSYJFUXQIPDS-KRWDZBQOSA-N 449.577 0.420 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1617619103 DYWMUPUKVWYCES-OAQYLSRUSA-N 426.477 0.813 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1617794696 TXCIOCJLBNPLOK-RBUKOAKNSA-N 440.504 0.652 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 1632508434 HEQHXRUMOGZPMT-AWEZNQCLSA-N 448.505 0.601 30 10 ICEE C#CC[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(=O)OC 1638826923 ORLRDCWEBVMYRP-OAHLLOKOSA-N 449.485 0.450 30 10 ICEE COCCN(CCOC)C1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1640612389 YAQLYJZKKGQGBC-HNNXBMFYSA-N 438.550 0.309 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(I)cc3N)C[C@H]1CS(=O)(=O)C2 1645997968 WFLRCRIKWSMTND-LKFCYVNXSA-N 431.255 0.884 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)OC2=O)C1 1660309300 DGDSETLVJUVPKL-KSMMKXTCSA-N 425.507 0.409 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1696494823 PLGNUTFBKOTMSJ-QGZVFWFLSA-N 427.506 0.285 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705568216 JIWRAGIINNONSE-PXNSSMCTSA-N 434.566 0.927 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1705572464 CCLGAQWMZUJPLX-UHFFFAOYSA-N 443.467 0.911 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1705583192 SAMYIHFVHISHMH-IBGZPJMESA-N 439.541 0.991 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705904935 CXJGXUJQLOQUCQ-MRXNPFEDSA-N 427.484 0.866 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711344284 NKSMDRYIMJCAPW-LZICOFPGSA-N 429.525 0.965 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1730879643 ZUJINRXFNXZJMY-AWEZNQCLSA-N 438.510 0.597 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1740626904 NWZYWTBKOWVNOD-OAHLLOKOSA-N 447.565 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1740992850 UTQJKZTVDXLHCU-JKSUJKDBSA-N 445.611 0.311 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748803245 WUFYUPLWPPHUNA-CVEARBPZSA-N 437.591 0.894 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748821153 MTTCUHAKWJDABB-DLBZAZTESA-N 437.566 0.698 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749193269 DOCIBVXCKGQTEV-HUUCEWRRSA-N 431.584 0.522 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1760116673 IYCQTKREKPHGEW-KBPBESRZSA-N 437.526 0.257 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1760260473 UCNMIHDXXSLWCG-UHFFFAOYSA-N 448.506 0.988 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760521367 QQUKQSYZXBTGKK-HIFRSBDPSA-N 443.512 0.106 30 10 ICEE CC[C@]1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1762480717 QXCZRFSFZIAOJG-UGOXKZBKSA-N 443.508 0.761 30 10 ICEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267193119 ACJTZDTZVMJRGG-CYBMUJFWSA-N 448.329 0.876 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]1C2 198633912 KTTKGQINVKPHLY-VMLDOPRJSA-N 426.425 0.456 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCN1CCOCC1 478742765 DNXCWUVXWDABNG-UHFFFAOYSA-N 443.573 0.748 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cn1C 481077629 FMMIWLSIPAHXCW-UHFFFAOYSA-N 443.938 0.949 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C#N 489703290 IVIGHNKXTAGCPL-OAHLLOKOSA-N 426.454 0.947 30 10 ICEE CCN(CC)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 530812006 KVABQFSUSSHZBC-UHFFFAOYSA-N 428.536 0.063 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 582015528 BAYFNNNUTAEERO-OAHLLOKOSA-N 428.559 0.396 30 10 ICEE Cc1oc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C#N)c1C 603491518 DPNIZMMFXPUGBK-AWEZNQCLSA-N 425.511 0.290 30 10 ICEE Cn1cnc2c1c(=O)n(CCCOC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c(=O)n2C 728347774 JGVYYTUWRKTHQR-QGZVFWFLSA-N 436.472 0.908 30 10 ICEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 743909256 VMIBMDZUWSWIHR-IBGZPJMESA-N 440.548 0.974 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CC1 749379780 FULSRDOBWPNAPN-UHFFFAOYSA-N 442.564 0.363 30 10 ICEE COC(=O)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCS(=O)(=O)CC1 1116710156 ZUNTYFATXXNJDQ-OAHLLOKOSA-N 433.486 0.538 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1143354302 AYWIXOQELCALPW-DJJJIMSYSA-N 439.501 0.856 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1157985596 WMDFGXQCQSIHMH-HZPDHXFCSA-N 425.507 0.861 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)s1 1169904267 HVQDMWVUQHFVMR-OAHLLOKOSA-N 427.548 0.651 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)NC 1286278874 HYTBFNJVJIQWTN-ZDUSSCGKSA-N 437.522 0.978 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NCc1ccco1 1293097620 QBKFQYRHBKVVNC-UHFFFAOYSA-N 437.508 0.990 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300499815 XJMDORILUKGTBN-QZTJIDSGSA-N 433.534 0.552 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1300528185 SFKPFXIJIGNQBJ-UHFFFAOYSA-N 438.513 0.700 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCOCC2)CC1 1300710488 CWOQVRUYHCWUAW-PMACEKPBSA-N 446.596 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301479224 WSTCYSBBVGUORD-SJLPKXTDSA-N 447.584 0.656 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301594406 BLVDEDPQZLBYQJ-SUMWQHHRSA-N 444.583 0.838 30 10 ICEE O=C1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1316572335 MKUMZBKLRJWNPK-FMQUCBEESA-N 427.509 0.864 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358919117 RXRZABHUUBWSTQ-HNNXBMFYSA-N 431.522 0.809 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359126247 KCNRZIDMJQNMIG-ARFHVFGLSA-N 440.570 0.728 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(F)c1 1360712591 AYJGAZMGUPQTAX-CZUORRHYSA-N 438.485 0.835 30 10 ICEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)COCCO1 1360843889 PDXBTAZDBNKHFJ-IERDGZPVSA-N 426.477 0.846 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)CC1 1470306645 AFTZFVSLRCHPOB-OAHLLOKOSA-N 431.559 0.475 30 10 ICEE COCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504698646 INCMWMHPRGNYPC-MEUCICPISA-N 443.508 0.618 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNS(C)(=O)=O 1507611071 JBDDVMRACQRDOJ-UHFFFAOYSA-N 439.567 0.247 30 10 ICEE C#CCN(c1nnc(C)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507625397 IMQXALDAOZUCJA-ROUUACIJSA-N 436.582 0.156 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1539013597 JBUZPNIHHQSLPQ-GUYCJALGSA-N 435.554 0.468 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539205326 GQKTYZJAYXMGAH-UZLBHIALSA-N 449.533 0.902 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540871295 IJCHJZWPBDEKBK-OAHLLOKOSA-N 442.480 0.714 30 10 ICEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1558511865 YTVMCNVIELAGGH-WVFSVQOHSA-N 431.514 0.459 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 1564318700 ZOMJHXOZRSTOIK-AWEZNQCLSA-N 426.930 0.109 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1583821267 XNMZAGHAEHERKH-CQSZACIVSA-N 435.502 0.490 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1588138265 BIIRPPCYDBKDDH-AWEZNQCLSA-N 442.339 0.592 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)C 1589493094 FURFSAUSCHJIHQ-UXLLHSPISA-N 442.586 0.830 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1595551364 PHXSSFBVCOSEIX-KRWDZBQOSA-N 428.518 0.990 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595551568 RXBYWXVCWVJHFF-HRAATJIYSA-N 426.477 0.795 30 10 ICEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1618108033 AOZYPCFFKKCYTA-TUPYQCFKSA-N 443.508 0.618 30 10 ICEE CO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619503439 MOJNAIQLVQASNS-FZFLATATSA-N 443.508 0.542 30 10 ICEE N#C[C@]12CN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)C[C@H]1CS(=O)(=O)C2 1627137209 UGDXCHXIKMPQKQ-QFBILLFUSA-N 437.543 0.556 30 10 ICEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1nnc2n1CCN(C)C2=O 1644475171 VYXZXSQIMFXSOO-UHFFFAOYSA-N 434.422 0.982 30 10 ICEE CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1cccc(C#N)c1 1654148666 HWGYEDYTVCCCSM-HXUWFJFHSA-N 430.530 0.920 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689978040 KHQGEAAEXWIPSC-INIZCTEOSA-N 446.533 0.977 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1690715577 OIFVUJFMUBGWNQ-UONOGXRCSA-N 449.599 0.493 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690745108 XWPZUMFZKROCMS-KGLIPLIRSA-N 436.625 0.969 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1696913677 IBIZYGQXSFEHFH-KSFYIVLOSA-N 441.536 0.614 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712482497 SZLFKCLZLFEJRC-ZZEZOPTASA-N 440.508 0.568 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](F)COC)CC1 1722443566 LIHNDBUCXPGWLK-UTKZUKDTSA-N 437.516 0.881 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722577628 MENNGPLQSZXLDR-INIZCTEOSA-N 449.537 0.739 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722698673 KCCVRHSUPBGKNG-AWEZNQCLSA-N 429.529 0.701 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1722729342 ZARBMPMEJXBWKM-JKSUJKDBSA-N 446.595 0.642 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)CC1 1740690908 PXVJOLINBNVXII-QAPCUYQASA-N 426.612 0.929 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740695454 ROINFOYGCMTANP-IBGZPJMESA-N 426.569 0.935 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1740960455 RZCTYCNRZBINDO-HOCLYGCPSA-N 435.506 0.653 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740966290 XFMMKIDLDXNOQT-NRFANRHFSA-N 434.541 0.726 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740991743 CRNOXVQHSAIGDC-HUUCEWRRSA-N 428.555 0.828 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1740991904 HYJOOZFZYRYAKV-QGZVFWFLSA-N 447.565 0.808 30 10 ICEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1748725678 JVPMYVSVNYQFFC-GOSISDBHSA-N 448.549 0.740 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(=O)NCC)CC1 1749000855 BSOOPFODSBDZQW-ROUUACIJSA-N 432.569 0.920 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1760175717 PRKWHJVFTYFDFX-KRWDZBQOSA-N 436.559 0.865 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760182824 MPNZTSQBGNLSHC-HOTGVXAUSA-N 445.611 0.746 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189165 RUVXAXIBDUGBSS-SJLPKXTDSA-N 443.529 0.804 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCOCC1 1760248487 NBMQICJCWAXKMY-UHFFFAOYSA-N 444.492 0.374 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1760282150 WVRYVCNYUMGSCC-CQSZACIVSA-N 434.609 0.418 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1762294884 RRYDXKBWYACGKQ-GBESFXJTSA-N 445.568 0.913 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCN1CCOCC1 1870476332 MLSWTPMXSZFTJS-UHFFFAOYSA-N 449.548 0.923 30 10 ICEE CN(C(=O)OC(C)(C)C)C1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)COC1 2248433766 PTUVFUZFEAAQEE-UHFFFAOYSA-N 440.331 0.834 30 10 ICEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267537114 OGXXQLOGHWNSAG-MNOVXSKESA-N 445.251 0.643 30 10 ICEE CC1(C)OB(c2ccc(S(=O)(=O)NCCS(=O)(=O)C(F)F)s2)OC1(C)C 2282345724 QVMRATDVAXXJOO-UHFFFAOYSA-N 431.313 0.963 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)n1 2282508625 YYQXSDPHMCPGTB-CQSZACIVSA-N 427.332 0.635 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 2282856247 PPGJYMHDVSOLJB-CYBMUJFWSA-N 427.332 0.635 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 33233817 MTVLFCNJUGJUCC-UHFFFAOYSA-N 448.589 0.842 30 10 ICEE CC1(C)O[C@H](C=O)[C@H]([C@H](O)[C@H](O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)O1 255968601 DCBBUGKPMCTVKE-UQUHXDPBSA-N 432.466 0.214 30 10 ICEE COc1cnccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 478437387 UENYMZJPYSDKLB-OAHLLOKOSA-N 429.502 0.977 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)C1=O 521470817 NCZLFCKVOLXCTK-UHFFFAOYSA-N 426.473 0.703 30 10 ICEE C=CCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 523368638 DFAWWNHKMXDPOU-UHFFFAOYSA-N 439.494 0.633 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669810989 AUVKJDLKMWTMDH-OAHLLOKOSA-N 433.538 0.800 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 679000705 QEKHSHVRVFDXEU-UHFFFAOYSA-N 440.525 0.582 30 10 ICEE CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(CN1CCN(C3CC3)[C@@H](C#N)C1)C2=O 742148631 AWICXNVEKFQZMI-INIZCTEOSA-N 432.525 0.938 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cccc2CC)c1=O 794645515 NHTAAMHRHJAROX-UHFFFAOYSA-N 427.501 0.900 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C(=O)COc2ccccc2)C1 801090107 SMVMIFUFGQDAED-HNNXBMFYSA-N 442.497 0.521 30 10 ICEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCN(C(=O)CC#N)CC1)CC2 1150001187 VVEJCUIXQFODIV-UHFFFAOYSA-N 428.489 0.953 30 10 ICEE C#CC1(O)CN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1179982826 UYBIVDOTUAQXFJ-MRXNPFEDSA-N 426.498 0.929 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 1286486489 MVZUFTYGRLDOKT-HOCLYGCPSA-N 438.554 0.033 30 10 ICEE CN(C)CCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCS(=O)(=O)C1 1294414859 QDLNULOABGUJEW-CQSZACIVSA-N 445.538 0.704 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1300493814 WBPGRIXKIOGRHO-ZIAGYGMSSA-N 425.580 0.998 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1300695795 JXHSPCNNGDNKNG-UHFFFAOYSA-N 444.521 0.136 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)CN2CCOCC2)CC1 1359047847 VUTBEOREPKFEGQ-GOSISDBHSA-N 432.569 0.749 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359330189 KAQRLCOXHVZMGM-CABCVRRESA-N 434.522 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359335023 XSPHCFCBSIYNRC-GOSISDBHSA-N 444.561 0.878 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2CCC[C@@H](C(=O)OC)C2=O)c1 1434894842 NPSJWGDYKYGYPJ-LJQANCHMSA-N 441.484 0.271 30 10 ICEE C[C@@H](CC(=O)NCC(=O)N(C)OCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1453738643 PIQIWTFWXVMFIA-JTQLQIEISA-N 436.412 0.572 30 10 ICEE C[C@H](CC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 1455501268 XERWIUQAHNJYOR-MCIONIFRSA-N 425.532 0.397 30 10 ICEE CC(C)(CC#N)CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1475161265 GPUZKYFAVSUWBM-UHFFFAOYSA-N 429.520 0.690 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1503832953 AMZSJICKVFXRAZ-CABCVRRESA-N 432.462 0.480 30 10 ICEE CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1=O 1515780220 DQTVXTWRYYCHQC-CQSZACIVSA-N 433.538 0.858 30 10 ICEE CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516975775 GUNCBKDNTSBKIS-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1519164616 KIAOLJVBGJKPON-LJQANCHMSA-N 433.557 0.703 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC)c1 1539045951 JSFFSBYZLNHXOF-QGZVFWFLSA-N 446.533 0.735 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2nnn(C)n2)c1 1539046540 VUERIFJXDIRTFA-UHFFFAOYSA-N 442.487 0.892 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539224297 DYLPYWNVDSWDQT-IAGOWNOFSA-N 440.591 0.825 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1552885097 HURKWDGIVOZQHR-HXUWFJFHSA-N 443.533 0.425 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)c(=O)n1CCO 1559456667 JZXBQQUJKQDFQZ-UHFFFAOYSA-N 430.383 0.133 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncn(C)n2)CC1 1588763025 PXYBVIKMMMSGGZ-UHFFFAOYSA-N 444.341 0.978 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1612877884 HDWQELSACQAHSK-ITZAQCPESA-N 436.476 0.533 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1613594151 CJKOSMUTJGELCU-FUHWJXTLSA-N 433.557 0.894 30 10 ICEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c1 1637512834 HEDCJTANKPFPNR-GFCCVEGCSA-N 439.428 0.274 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 1639054761 ZRDGLILOYRLYIO-MOPGFXCFSA-N 438.440 0.884 30 10 ICEE C=C(CCC(=O)OC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1640980710 YEPOFGGESJLPKY-UHFFFAOYSA-N 439.534 0.773 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1689826306 LVMWFOMWQIJSPR-GJZGRUSLSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689980743 WQCLGZSZJCNJIF-PMPSAXMXSA-N 428.580 0.853 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689993972 OJKPHYGIFZHUHZ-IAGOWNOFSA-N 440.591 0.682 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1690077728 VOJBBDXCBHTYQJ-MRXNPFEDSA-N 426.506 0.664 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705565647 IORRCMMQKNVGNY-MRXNPFEDSA-N 440.533 0.935 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1705896145 CRFSWJUHZAKBKK-UHFFFAOYSA-N 449.309 0.955 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705902504 GFKQBDDQEJMMRH-IAGOWNOFSA-N 436.582 0.547 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1706069482 DHNZOGPLAGXXNI-QUSNUVHPSA-N 439.520 0.819 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1722296931 WBRNAHIQWKAZAG-HIFRSBDPSA-N 441.945 0.619 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1722706446 SDOLHPBSPVOFSF-UHFFFAOYSA-N 431.472 0.760 30 10 ICEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1723013257 QRLQJFBFWHEIBX-QGZVFWFLSA-N 437.504 0.779 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1740596718 KIBNHVMCTTYJGW-QFIPXVFZSA-N 430.553 0.744 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740623197 PTEFALFHJLEKFM-IRXDYDNUSA-N 432.550 0.118 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1 1740955604 ZRKZMWVJYHWRLJ-UHFFFAOYSA-N 428.449 0.864 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740965216 MUOATCVPHWUMML-KKSFZXQISA-N 447.540 0.177 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749039029 OKJLCPJMUXXXGV-QLFBSQMISA-N 448.636 0.804 30 10 ICEE COC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1749577502 CMGXILHWXIIELK-IPWSYGNPSA-N 430.509 0.997 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749740963 LNUFQFOFKCQXSC-JKSUJKDBSA-N 427.527 0.072 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1760249260 IWJZKHWKRRWKHZ-KRWDZBQOSA-N 435.506 0.426 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1760249263 IWJZKHWKRRWKHZ-QGZVFWFLSA-N 435.506 0.426 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(C)cn2)CC1 1760265132 OTALIMANQWUQFF-UHFFFAOYSA-N 438.536 0.685 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)COc3ccccc3Cl)C(=O)C2)C1 1856919064 IIXATNDTYWTIED-CQSZACIVSA-N 440.909 0.317 30 10 ICEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)O[C@@H]3CCS(=O)(=O)C3)CC2)CC1 1890104040 IPVLJUOGEDELLH-HXUWFJFHSA-N 441.594 0.821 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 2267536777 MDCMQTLQVJKZIG-KRWDZBQOSA-N 436.325 0.964 30 10 ICEE C=CCNC(=O)CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)CC1 105314390 AHHXCNBVNIZHGS-UHFFFAOYSA-N 431.541 0.126 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478756506 VLGDXQMVNNJXNG-INIZCTEOSA-N 429.546 0.895 30 10 ICEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC 481583032 VHDQSYNBPYQNNB-MRXNPFEDSA-N 432.520 0.494 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521250848 HRXQBDLRNWZRQE-UHFFFAOYSA-N 446.485 0.502 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 544031165 RCODHICEDJVCOW-PBHICJAKSA-N 444.517 0.266 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc1 603797511 OWMJJKIZPYISSS-UHFFFAOYSA-N 438.553 0.332 30 10 ICEE C=CCOC[C@H](O)Cn1c(N/N=C/c2cccc(OC)c2)nc2c1c(O)nc(=O)n2C 606630312 LXGSYTLLYZOKHP-YVJZOELXSA-N 428.449 0.854 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 609256785 IWXRPCHCNCVESO-UHFFFAOYSA-N 446.460 0.973 30 10 ICEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 684535929 ZIFGVSSGNKXVGJ-UHFFFAOYSA-N 427.530 0.648 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)nc1 727417115 DYZOALXMYAHJOM-UHFFFAOYSA-N 426.454 0.161 30 10 ICEE O=C(N1CC(F)(F)C[C@H]1CO)C(F)(F)C(F)(F)C(=O)N1CC(F)(F)C[C@@H]1CO 781332545 XVEJZUFUZWGCMX-OCAPTIKFSA-N 428.276 0.714 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 813563878 PJUJINWYBYOLMS-DZEHDUFJSA-N 434.566 0.127 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(c4ccccn4)=NO3)CC2)cc1 1136149234 BYDGSOFYRUXQKC-IBGZPJMESA-N 425.470 0.979 30 10 ICEE C#CC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C(=O)OC 1141995465 QPADVTCEWTVRSY-CABCVRRESA-N 428.894 0.554 30 10 ICEE N#Cc1cn(CC(=O)NCCCNC(=O)c2cccc(Br)c2)c(=O)nc1O 1143101339 PIMIJFPMFRYGBE-UHFFFAOYSA-N 434.250 0.519 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286438519 ZVXMDQXAWOWMBZ-LPHOPBHVSA-N 425.555 0.671 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286607916 LZBHIUIZQKQAQL-BEFAXECRSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1286781111 ORLLCRKNUOEPNS-UHFFFAOYSA-N 448.491 0.344 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298691201 MVPWIWDPLGRDNW-ZDUSSCGKSA-N 441.535 0.564 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1300479911 UXZTXAAPTNUNGT-CQSZACIVSA-N 445.492 0.770 30 10 ICEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300983387 IHERKNPSLOTWFF-UHFFFAOYSA-N 443.552 0.847 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1301196634 GNTGQSWHFDGJOY-ZDUSSCGKSA-N 434.588 0.373 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 1312024241 KAJBMKWAIJIXAM-UHFFFAOYSA-N 438.897 0.685 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316210641 QFZVOYQVXXALFI-LSDHHAIUSA-N 427.527 0.556 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1358959199 DNHAGHJXZNNJKG-LJQANCHMSA-N 440.529 0.970 30 10 ICEE CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1452013637 ZUHFWCVITLGCQV-UHFFFAOYSA-N 440.481 0.981 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1503871775 CBZQHDNVRBDEPK-OAHLLOKOSA-N 433.490 0.773 30 10 ICEE CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504014328 QGPMATDLPQOBIW-VUANCPLDSA-N 445.524 0.948 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1507653359 NEFQQYCCPGSFBY-OALUTQOASA-N 448.593 0.416 30 10 ICEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNS(=O)(=O)CC)CC1 1507727854 UKHXIHGIUKDSOA-UHFFFAOYSA-N 446.577 0.860 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508084811 PUCIGJQSHFZCBR-HXUWFJFHSA-N 438.580 0.782 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508087830 QCOLVWQMCRSWHQ-RDJZCZTQSA-N 445.568 0.909 30 10 ICEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1519023954 TUFDFGWESYKXGT-SFHVURJKSA-N 437.504 0.780 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC 1539017299 ZFBONTAYJIHQCA-IAGOWNOFSA-N 426.587 0.801 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCNS(C)(=O)=O)CC1 1539475275 AIGOOQVPZXPPLF-UHFFFAOYSA-N 447.565 0.189 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1539750828 CZZQUSRVINZHQE-QGZVFWFLSA-N 427.571 0.541 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1540816868 VPHIMYHAIBHNOO-CABCVRRESA-N 431.555 0.998 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861332 LUYYOSBJECHSKB-OAQYLSRUSA-N 432.525 0.432 30 10 ICEE C#CCN1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1544079815 WCEUIEDLMWKSIK-UHFFFAOYSA-N 434.562 0.614 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CCC(CO)CC1 1556022257 DBZVODYBYMNAOU-MRCUWXFGSA-N 437.504 0.999 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)C1=O 1558306302 AZKRGRCVJOYTPE-NSHDSACASA-N 436.266 0.922 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1588054610 OKRQZSXQUVSIJA-GOEBONIOSA-N 426.564 0.607 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595884570 NNZVQQPNCPLQNU-GJZGRUSLSA-N 440.595 0.655 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1685177389 SFFREBLCZZOICK-INIZCTEOSA-N 435.506 0.708 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1690043186 SHIPSWDKLPCKQR-UHFFFAOYSA-N 445.574 0.577 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1705534982 XKEDZXGTBIFCBI-HOTGVXAUSA-N 439.538 0.414 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722361232 GBFFOADHEIJTAO-INIZCTEOSA-N 431.518 0.717 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1722650494 CITOFQPPYVIWGO-QGZVFWFLSA-N 436.582 0.499 30 10 ICEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740805420 PUOALJZKVGYBEK-CQSZACIVSA-N 446.895 0.862 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCS(=O)CC1 1740995014 XKLMSBMYLUCYDA-UHFFFAOYSA-N 429.593 0.803 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748817756 PTOFVESFFRGCFT-DLBZAZTESA-N 440.591 0.997 30 10 ICEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749493016 QEOLSGPGYHCFIF-NYAYQYMKSA-N 443.508 0.618 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760137164 PFZSLEKAFMMAEK-GJZGRUSLSA-N 425.497 0.565 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1760185164 QZNKNTPOHNWSDC-KRWDZBQOSA-N 436.501 0.620 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1760516623 ROCTWPZXSYEIGK-JKSUJKDBSA-N 439.586 0.255 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1760521198 MEMWWVXLFIJDFW-OAHLLOKOSA-N 445.524 0.465 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1772566590 KFGAQWIMQXJVST-CQSZACIVSA-N 433.513 0.589 30 10 ICEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C(=O)C3)C2)cc1 1854203046 ULFAXAZYXSZDAY-OALUTQOASA-N 430.530 0.238 30 10 ICEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255628069 CIVOZHRBVYKGJO-LBPRGKRZSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548333 FSRDHQWNYBGEEL-CABCVRRESA-N 448.329 0.876 30 10 ICEE CNc1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C1C2=O 306122159 QIFALPZRQOUILR-JBEUZUEBSA-N 443.456 0.162 30 10 ICEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 409665512 LUEPBYLWSCLYMS-INIZCTEOSA-N 431.522 0.142 30 10 ICEE C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)C2(CCCCC2)C1 471280173 QKZPNTZNMWICQD-UHFFFAOYSA-N 434.541 0.331 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 508694931 DQTFKDXSSABDQU-HNNXBMFYSA-N 431.518 0.585 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 514647896 KNJYIRBZJQHJPP-UHFFFAOYSA-N 426.542 0.755 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cn1 794580557 XIUUHEPTGCLZMJ-IRXDYDNUSA-N 440.525 0.885 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cn1C 1134300933 FVRSSSSAODPEBV-UHFFFAOYSA-N 436.534 0.994 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1221824987 NIRUUHYRMJQEIY-UHFFFAOYSA-N 439.534 0.786 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCCO1 1226724686 MRJJSSZDFXLRQM-DLBZAZTESA-N 435.502 0.655 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1286460239 BTFNDYLZEPTJDC-INIZCTEOSA-N 446.533 0.979 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286711557 MQEHYKCEAYAFGI-GOSISDBHSA-N 434.541 0.949 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1286810174 OGAJVJRRYFWKTK-CHWSQXEVSA-N 433.481 0.343 30 10 ICEE COCCNC(=O)CSc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289436127 DZRMFNWVZCDWMC-IFXJQAMLSA-N 437.543 0.552 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1300496429 RFMOPJQOXXMPSX-ROUUACIJSA-N 439.582 0.725 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300764622 YPUFEJCQWZBWLD-FCEWJHQRSA-N 440.591 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1301578805 JIXCFZVMRFRLIX-KGLIPLIRSA-N 444.583 0.537 30 10 ICEE CC(C)Cc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302981494 DSDPOBCGCKWCHF-IGCQWYOMSA-N 430.509 0.999 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314362644 AMFVLIYIVQIMJG-AMGRQBIBSA-N 431.497 0.446 30 10 ICEE CS(=O)(=O)CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316341128 GYYYXEWYGYJRRV-SUMWQHHRSA-N 445.542 0.447 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1358964403 YMGIQLMOXVWXGP-ZWKOTPCHSA-N 448.549 0.300 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC(=O)NC2CC2)CC1 1359040270 NWAXUDJEFITIDX-UHFFFAOYSA-N 443.552 0.441 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)c2)CC1 1359044486 HFMSOYDAXXCRIO-GOSISDBHSA-N 438.536 0.561 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)noc2C)CC1 1359045202 ZNUAHXZHYHRFFP-QGZVFWFLSA-N 425.493 0.848 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359056292 CGOSEZSMOPGVTD-ARFHVFGLSA-N 428.580 0.787 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359455811 CHGOYYDTNGECHD-LJQANCHMSA-N 425.493 0.684 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]4OCCNC(=O)[C@H]43)CC2)cc1 1471419856 QEDGFGXXLPLZDX-MOPGFXCFSA-N 446.529 0.465 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1503412088 FMPCDLQSGRGVGH-KRWDZBQOSA-N 431.518 0.982 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539179690 RAVKVBYHZWCYLW-OAHLLOKOSA-N 448.549 0.504 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539219352 BYJDNXCWTSABQB-ZFWWWQNUSA-N 434.547 0.669 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1540903743 HLRBOYBESRIYCS-CABCVRRESA-N 432.568 0.396 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541277946 USSXPLHNFRZBQA-DLBZAZTESA-N 428.541 0.568 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541455321 UIBFCIBQCZIUMN-XDSRXIPYSA-N 427.509 0.719 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CC1 1565590310 WOEAOSCXJOIMLL-MRXNPFEDSA-N 438.525 0.117 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1587705301 ANOOUJYERSHRIT-ZBFHGGJFSA-N 437.570 0.732 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588035603 VWHYMNGFEVABBS-NVXWUHKLSA-N 436.538 0.411 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595562451 ZKTSVZLNGZKFPV-MRXNPFEDSA-N 436.520 0.876 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCn2nc(C)nc2C1 1595812680 YPYKNMOSFUJERO-UHFFFAOYSA-N 428.522 0.785 30 10 ICEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1602821846 HAUURYCMVRMOEO-INIZCTEOSA-N 437.508 0.983 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1632240472 PLLQOOHBTNSAAV-QGZVFWFLSA-N 444.536 0.938 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1684307505 CMQQXUQKJZZYIP-UHFFFAOYSA-N 443.533 0.429 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689977947 HSNOJFJXXMLSOT-IAGOWNOFSA-N 438.598 0.773 30 10 ICEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690257820 VJYFWZAMOACWEI-MOPGFXCFSA-N 428.555 0.882 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1690317041 SAXGMZJDXPQPPI-UHFFFAOYSA-N 427.509 0.650 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC(O)CC2)CC1 1705653123 ZMJHGWRSJYADCE-HXUWFJFHSA-N 444.580 0.942 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC 1705716299 GKTDYYVNKVGJOZ-YVORESIASA-N 433.600 0.782 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 1705843405 DQYMRUJGIKQIOQ-MRXNPFEDSA-N 442.586 0.344 30 10 ICEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)C2 1706964072 ATSVVSFWEISCBV-IBGZPJMESA-N 445.505 0.397 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722362871 WSJQUPUFIFJONS-MGPUTAFESA-N 442.501 0.863 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722452603 VCUBWUFDSHBRGO-KFWWJZLASA-N 440.595 0.217 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(CCOC)C1 1722475894 IXVIRWBXWYZANJ-HTAPYJJXSA-N 428.537 0.888 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1729677232 MDYOQHHLXPUDKK-DHSYKJLNSA-N 431.497 0.053 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740618461 IEFSEHRSTZUYHF-PXNSSMCTSA-N 448.549 0.339 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCS(C)(=O)=O)CC1 1740688934 LTJAEQARSDAEGP-UHFFFAOYSA-N 436.582 0.484 30 10 ICEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740885273 CFWOYIJUZOESBY-QGZVFWFLSA-N 446.552 0.692 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966198 WTXWHKSDLOMTIX-RTWAWAEBSA-N 432.525 0.337 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC#C)CC1 1748698140 CGHHQSSMSJORHS-INIZCTEOSA-N 434.566 0.658 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1748864098 PRFTZMKLPPRQPE-MRXNPFEDSA-N 429.550 0.861 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749669602 MBMQPXOTDPJHJP-JKSUJKDBSA-N 440.570 0.192 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749737152 XVRFRVJXKXBTBG-INIZCTEOSA-N 439.563 0.488 30 10 ICEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760345780 TXILTQRUESATKR-KRWDZBQOSA-N 432.525 0.603 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1)C1CC1 1760477382 YPLVHWKERHWQAD-APWZRJJASA-N 425.555 0.927 30 10 ICEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccccc2S(C)(=O)=O)C1)[C@H]1CCN(C)C1=O 1857277391 SDPPGKGVCKCAAS-WBVHZDCISA-N 433.530 0.798 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](CO)C(=O)O)c(C(=O)OCC)c1C 1860761370 SJVUKYAEIVMCRB-VIFPVBQESA-N 428.419 0.076 30 10 ICEE N#Cc1cccc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1870060538 SXLFCNIZVISBQV-HNNXBMFYSA-N 430.490 0.723 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255651975 NRXIBVBTEYMFEX-ZIAGYGMSSA-N 434.302 0.798 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCCO1 480930152 HZYACYBGHFTEBM-CYBMUJFWSA-N 431.539 0.964 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502054281 CRHINNXIUXDPDM-CYBMUJFWSA-N 441.488 0.426 30 10 ICEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 505952685 CMZNZTYUSVKWJW-SFHVURJKSA-N 434.518 0.576 30 10 ICEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 611545940 KXEPYMFPJDTKFY-UHFFFAOYSA-N 429.495 0.902 30 10 ICEE Cc1ccccc1CC(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732468190 GAOGAWWCSSKSTD-MRCUWXFGSA-N 425.489 0.918 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1C1CC1 732706134 GOXVNNGBHRETCP-QGZVFWFLSA-N 431.518 0.608 30 10 ICEE COc1ccc(CN2CC[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 734668189 BOKCEUGZKIHXJA-VRTBNJGNSA-N 427.461 0.622 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)C1 760321788 KACYHGWLSSHHMO-UONOGXRCSA-N 434.522 0.962 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360374 FUUKVFKEFFGTOT-UHFFFAOYSA-N 429.505 0.854 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)cc2C1=O 876538947 ZHTIYZPPQNHLQN-RHSMWYFYSA-N 448.497 0.953 30 10 ICEE Cn1cc(/C=C/C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 913206247 MNAIWQZOBDLVJD-AATRIKPKSA-N 436.428 0.566 30 10 ICEE C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CCOCC1 1167413474 GNJPPXUYHXNSIT-LJQANCHMSA-N 435.546 0.992 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1286483981 BUJGLCVRYRTEFC-UHFFFAOYSA-N 449.515 0.343 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)C1 1286799886 BILPEWUJGIRMMD-YOEHRIQHSA-N 448.549 0.817 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1300490940 CUBRZKXIJMNDLY-IRXDYDNUSA-N 436.582 0.588 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300764544 XQIXNJOQSAMVFC-RDTXWAMCSA-N 439.563 0.578 30 10 ICEE CS(=O)(=O)[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302438558 GKJUHDDWWNIYDG-IJYGLTAASA-N 448.549 0.770 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H]1O 1315110003 QOCBMPYLXLDROD-QZTJIDSGSA-N 426.477 0.703 30 10 ICEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOC1 1315268272 BZWJHPDSSGFDOS-SIKLNZKXSA-N 440.504 0.964 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCN(C)C2)c1 1358901966 BQJINRGLWPUBMM-JPYJTQIMSA-N 438.532 0.905 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1358979836 YZWMIKXWDPXTTR-QGZVFWFLSA-N 448.574 0.691 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359036636 CQXAMRSHVLXKGK-OAQYLSRUSA-N 447.536 0.313 30 10 ICEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1499943069 NBUKQGZTLGLMAK-HTAPYJJXSA-N 437.504 0.515 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1503404086 YBPXEAHJPTWEHN-IBGZPJMESA-N 438.536 0.951 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCN1S(C)(=O)=O 1505280461 FHWRVJWMHLELSD-WMLDXEAASA-N 443.533 0.565 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C(F)F)N1CCOCC1 1507600525 GVVMYXCBTLQJKZ-UONOGXRCSA-N 434.513 0.314 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1507623306 QUHCVILLXKEROX-LVQVYYBASA-N 443.595 0.876 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)CC1 1507722124 PSPRSOWINZXNRH-DNVCBOLYSA-N 436.538 0.144 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1508140903 RAPBQSRHBUDHJA-UHFFFAOYSA-N 447.487 0.964 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1519528507 DIPLTNCKGJGECE-HOTGVXAUSA-N 436.563 0.941 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1519595008 WGUYNKHODSQWCK-HXUWFJFHSA-N 443.533 0.472 30 10 ICEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)Cc1ccon1 1539194390 YFFSCLXNSXVODK-UHFFFAOYSA-N 432.510 0.317 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540872007 ZOQNKYKKLYEMTL-KRWDZBQOSA-N 439.520 0.510 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554390875 YHNWAHDGFSBXTP-YVHOPFRJSA-N 431.497 0.127 30 10 ICEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1562066361 CYRZOOWOMGZGHF-GDBMZVCRSA-N 443.547 0.702 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)s1 1586899266 QMWYFTSXPWPCHG-GOSISDBHSA-N 440.547 0.592 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1595523489 WGYNLODBFOZURE-UHFFFAOYSA-N 439.524 0.990 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1 1629737977 FHCZKWLTMFRIFC-UHFFFAOYSA-N 428.470 0.974 30 10 ICEE Cc1cc(C#N)c(O)nc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1630105040 HQAFGDDTCXRBOR-UHFFFAOYSA-N 430.490 0.244 30 10 ICEE CNS(=O)(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1636682622 LRXWGHWSZNYGAK-INIZCTEOSA-N 433.490 0.303 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1640201501 JABXMZGFUQYAAT-QFIPXVFZSA-N 447.536 0.426 30 10 ICEE C=CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)nn1 1643217040 GKYMOEQLWIARAF-UHFFFAOYSA-N 425.536 0.849 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1 1644282080 SPUMSRQQHHOJER-SFHVURJKSA-N 436.534 0.264 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 1661109148 HFCFFDSJBWXLBP-UHFFFAOYSA-N 438.325 0.261 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689988101 JDURSVWJZSHTDS-BZSNNMDCSA-N 448.593 0.588 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1690142111 INQNEXACUROUKY-UHFFFAOYSA-N 445.549 0.222 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1705494813 GJKCPQRPKBACPJ-SUMWQHHRSA-N 436.538 0.976 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1705552110 VOMIQBRZWPSQOX-BZSNNMDCSA-N 438.598 0.801 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705652261 UBAGITOFAPEITR-UHFFFAOYSA-N 435.598 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1705897711 RSKYLZSQXXMXME-KBXCAEBGSA-N 428.559 0.586 30 10 ICEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722369526 AMLIPZCCUUIKEE-INIZCTEOSA-N 449.508 0.711 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC1 1722794381 PTPWEVMTOXRPPF-UHFFFAOYSA-N 428.493 0.796 30 10 ICEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729223958 AVQBOXROCMOJHD-AWEZNQCLSA-N 445.553 0.472 30 10 ICEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCS(C)(=O)=O 1744691178 KYFUXUWZFHOUHB-UHFFFAOYSA-N 433.538 0.495 30 10 ICEE CC[S@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747461615 WJDVTPWGZXHRRX-PMERELPUSA-N 426.506 0.982 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1748219114 WXVBMXMRLNDOFM-UHHPSXQGSA-N 445.524 0.344 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1748773447 XDTHPXOMUCKEGE-KRWDZBQOSA-N 446.577 0.838 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1748852997 RSODTAFXZATCMU-UHFFFAOYSA-N 425.518 0.481 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)CC1 1748972635 MGNHKUSFRSWLQW-IAGOWNOFSA-N 435.598 0.128 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1749114813 HNJIBIQANPEOLO-KSZLIROESA-N 434.541 0.739 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749140815 STRNTFHKVPLCEG-PKOBYXMFSA-N 448.568 0.969 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1749677638 GOVTWLSSDHXRRW-UHFFFAOYSA-N 449.581 0.845 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760138168 SNAUHZOOXXZQBJ-KRWDZBQOSA-N 436.582 0.194 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1760138230 UIYXAOYGZRDDOQ-HZPDHXFCSA-N 438.554 0.129 30 10 ICEE C#CCN(c1nnc(CC)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185923 HACKXGIDJLDNPZ-JKSUJKDBSA-N 445.536 0.823 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760225643 VFRVVWWWUKUSSZ-HNNXBMFYSA-N 428.522 0.977 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)CC1 1760257267 SDZLXSZJLWLFNG-IBGZPJMESA-N 425.555 0.119 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760260514 VRPIJQPAEYTSNO-RTBURBONSA-N 429.569 0.341 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1760281093 LINJTIJZTZGXPZ-CQSZACIVSA-N 433.550 0.934 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760517547 PSMIBJAVWJQWPU-HNNXBMFYSA-N 441.492 0.478 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760522784 YRAXHVCQKXXZFH-YOEHRIQHSA-N 447.517 0.716 30 10 ICEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1760847285 XTOKEPWHAJGLKF-AWEZNQCLSA-N 429.481 0.897 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1766943729 AERQWVXQNUXJKH-JKSUJKDBSA-N 446.489 0.822 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1=O 1872917740 JUZGVAWUVLRYEQ-HNNXBMFYSA-N 434.518 0.546 30 10 ICEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247903022 CQPVJOIIDLTGAN-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE C=CCn1cnc2oc(C)c(C(=O)NCCN3CCN(S(=O)(=O)CC)CC3)c2c1=O 222762639 NCCYHRCSKZNZHP-UHFFFAOYSA-N 437.522 0.181 30 10 ICEE Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n1 460800315 DDKRGRJBCJNZQR-UHFFFAOYSA-N 445.487 1.142 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727161272 UJFQQDPBDOODGY-UHFFFAOYSA-N 445.504 0.724 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732456333 HGPBZEMUPXGCID-MSUUIHNZSA-N 436.513 0.365 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)cn1 732561210 IXZVQOKFPMRQSG-UHFFFAOYSA-N 449.536 0.536 30 10 ICEE C[C@@H](C(=O)O[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)n1cnc(C#N)n1 798744477 LHLFIPMGZITVGG-JKSUJKDBSA-N 426.477 0.791 30 10 ICEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800776003 WCNNWZNGDQRWNY-HNNXBMFYSA-N 441.535 0.363 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)s1 917770134 YXBQAQSVPPHMNM-UHFFFAOYSA-N 432.571 0.735 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1167353633 WNONXECZDRVOPX-UHFFFAOYSA-N 439.540 0.506 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1286389352 IMSQNOPDEPMDRS-CABCVRRESA-N 448.505 0.039 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286392650 JDODYCPWJQWFBI-FGTMMUONSA-N 438.550 0.604 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286503856 GBEIAKVJLVBBGR-MRXNPFEDSA-N 431.566 0.933 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1300701080 FPSFPUSOHBFLNS-UHFFFAOYSA-N 446.552 0.799 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1301500512 MYDHWDRROUXLHP-KXBFYZLASA-N 425.555 0.878 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1314554410 YWTLOCCQCQYVNE-XHSDSOJGSA-N 442.542 0.060 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 1471451097 NFRJQUBUPYPGEP-CABCVRRESA-N 444.554 0.359 30 10 ICEE C#CCN(C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1479292917 GLVVFXGPFKOMEJ-KRWDZBQOSA-N 442.582 0.807 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1505136582 CZWXFRIIMPVRLA-KBXCAEBGSA-N 439.517 0.238 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507626139 MXSTXKHCINHFHR-HNAYVOBHSA-N 426.539 0.328 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1507644721 MOXKYNPIVCFYHY-INIZCTEOSA-N 446.554 0.856 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1508070644 AQFCGZWNZNZCLI-UHFFFAOYSA-N 426.525 0.742 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1508148599 VIQNGOMBVVXRDV-YZVOILCLSA-N 441.554 0.305 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1516797147 SZNHLKQWMFTREL-FOCLMDBBSA-N 438.554 0.973 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539225409 NPCNZWCLQXOOPY-GOSISDBHSA-N 444.561 0.807 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540907574 AYSIYJDNAHSBCE-JONQDZQNSA-N 428.511 0.164 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1547715521 LACAMMXMAFLRKF-MMYRVIJDSA-N 442.524 0.286 30 10 ICEE CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1568817103 LKEAKFFDNDJWRH-MLGOLLRUSA-N 431.511 0.961 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1587867760 DATKSWWLQOXYNY-HNNXBMFYSA-N 442.515 0.566 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1589068967 GKANDWQHOMBCSK-PMPSAXMXSA-N 437.591 0.794 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595938354 UBTURXZAGPOCPG-HIFRSBDPSA-N 440.909 0.341 30 10 ICEE C=CCNC(=O)N[C@@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)N(C(=O)CSC)C1 1616126664 QQXWEQAEWFLMJY-ZACQAIPSSA-N 447.561 0.017 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 1650845945 BVEKOFXAJJKKBE-INIZCTEOSA-N 438.575 0.667 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1689965917 GTTAUHWKHLMEOB-KKSFZXQISA-N 434.541 0.723 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COC)C1 1690699143 AAGBGLUXYWZKCD-BRWVUGGUSA-N 443.570 0.675 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1698318779 LBJZIHYRENFNIX-CABCVRRESA-N 432.462 0.480 30 10 ICEE COCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1712108163 MHRABZHIQBCJTI-UHFFFAOYSA-N 429.481 0.661 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1722449216 RJMTVQHYMBFGHN-QGZVFWFLSA-N 446.533 0.205 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1740957349 KXGPLHINVHNYAU-UHFFFAOYSA-N 425.472 0.842 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C2COC2)nn1 1748684418 IVQGDPJUSQFBBH-ZDUSSCGKSA-N 426.506 0.939 30 10 ICEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749591738 YAKCYCPGSBBNAS-JXFKEZNVSA-N 449.533 0.607 30 10 ICEE CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1751195687 DUIWMVIHFCYGSG-YESZJQIVSA-N 441.602 0.983 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1760514959 PJOOHDWQKUYJDF-UHFFFAOYSA-N 431.463 0.793 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1766879972 FQJXOADGBTYRHF-UHFFFAOYSA-N 434.508 0.204 30 10 ICEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1771367228 ONGBSMYTUXOMKG-UHFFFAOYSA-N 444.565 0.763 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)nc1 1851775294 CZSGFBWZABPCHT-UHFFFAOYSA-N 447.561 0.823 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 1852170805 VRVNCMPWFOIMBF-GOSISDBHSA-N 427.505 0.646 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCC)c(OC)c1 1865721751 ATIZHYSKJHOAEA-OAHLLOKOSA-N 442.472 0.488 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)CC1=O 1872918366 ZSBXMNBCIIPRNP-QGZVFWFLSA-N 448.545 0.223 30 10 ICEE C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 444404761 VPSBTICNQDOTRB-OAHLLOKOSA-N 444.579 0.787 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508936029 QIFZNHRGZQNDQA-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 733673502 ZWKWRLQZBZIPFI-UHFFFAOYSA-N 436.534 0.632 30 10 ICEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 748064435 RIKPHIBALSPSPV-UHFFFAOYSA-N 446.550 0.832 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780829667 UQCSVTOURNQQGF-HNENSFHCSA-N 445.501 0.299 30 10 ICEE CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 804158404 UPVQDSHOVYFCHG-MRXNPFEDSA-N 433.484 0.981 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1157221453 HBVPMBJXIAURPV-KBXCAEBGSA-N 433.534 0.036 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286389600 MXYJTMZVQICQHH-NJAFHUGGSA-N 432.550 0.856 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1286592474 GZFRVVIHJMOMNZ-MRXNPFEDSA-N 426.543 0.246 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1298568997 DVZFHIRTKREKSZ-NFPAXOPASA-N 429.481 0.228 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1300364715 MCNFJWWZUPQNAX-INIZCTEOSA-N 448.553 0.335 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300492833 OWUCRPGEESNTSL-ZBFHGGJFSA-N 432.506 0.509 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359304106 LTDPWBAQWCZRMT-CQSZACIVSA-N 446.533 0.961 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1359307065 ZPEVPQSSBAJVRU-YOEHRIQHSA-N 441.554 0.318 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2C(=O)OC(C)(C)C)CC1 1479052530 AJNWDHGFIVWPAS-UHFFFAOYSA-N 436.534 0.937 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CC)CC1 1507737188 ZQKCTWUNVUREHT-KUHUBIRLSA-N 440.570 0.015 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508095416 OPHBBQSJBQGNNV-MRXNPFEDSA-N 432.525 0.477 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1519600296 WFAWDVYZVUWHTF-PBHICJAKSA-N 448.505 0.459 30 10 ICEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1545120955 FOGXBAKRSTZKLK-HNNXBMFYSA-N 434.522 0.845 30 10 ICEE Cn1nccc1CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558820258 ACOGPZYUYPFNAR-UHFFFAOYSA-N 430.534 0.583 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588069157 IJMMEXFQURNWBD-KRWDZBQOSA-N 443.529 0.781 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595507007 SYXXPRJDECELRF-JOCHJYFZSA-N 440.504 0.981 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1Cc1ccc(C#N)o1 1611676303 VXNFLTJQDSEOCD-NRMMMPIQSA-N 434.522 0.998 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 1615719237 GYWQYYSUSUCCIB-UHFFFAOYSA-N 431.474 0.452 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1620356312 WGUQQFLBTGWEHE-ZBFHGGJFSA-N 434.451 0.820 30 10 ICEE CS(=O)(=O)N1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1628328020 MBWPTQDTIWVWJC-CQSZACIVSA-N 442.563 0.436 30 10 ICEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1635700622 BZAMDYHIWBFKMJ-QGZVFWFLSA-N 428.489 0.871 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc[nH]n1 1636476082 AYMPZTFIGRACNI-QZTJIDSGSA-N 443.504 0.693 30 10 ICEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(I)ccc1-n1cnnn1 1636546537 VCGRFAZJOBKHBB-SNVBAGLBSA-N 428.190 0.377 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)C=C)CC2)CC1 1643372555 QOQUPIXNZCNBGP-UHFFFAOYSA-N 444.557 0.345 30 10 ICEE C#CC[C@]1(C(=O)NCCc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1651256416 HUYWVKGYIYVEEW-OAQYLSRUSA-N 430.509 0.815 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)CC1 1690124270 IFPXGQUIMYJPRF-KRWDZBQOSA-N 434.522 0.008 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1705596449 FFAUYSFUYYGVPO-GOSISDBHSA-N 440.529 0.582 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1705844032 URFVQNZDPRWMCM-CQSZACIVSA-N 425.515 0.557 30 10 ICEE C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1712834961 KIJKDPPIEWNQFE-YBTPXPDKSA-N 437.504 0.997 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)N2CCOCC2)CC1 1722444673 DBIVQFUIAHVCMG-UHFFFAOYSA-N 437.504 0.165 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722690126 FWOJXHCMVWRFCW-KFWWJZLASA-N 427.575 0.109 30 10 ICEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1729339377 JEGVKKSHDBBRKG-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1729613549 CKFJIDLFWMJRJQ-KBPBESRZSA-N 441.558 0.122 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)CC1 1740694857 WAWPPJBBWQMMOU-GOSISDBHSA-N 427.553 0.776 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740757070 MXDBTZAVACERTO-YLJYHZDGSA-N 442.568 0.870 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C1CC1 1760219554 HRDFUCUUMXFGJB-LJQANCHMSA-N 448.593 0.558 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760440063 BCKJQLDPBVVMHM-XHSDSOJGSA-N 438.554 0.292 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CCO1 1760673897 KKXMHUDBQASFMS-GOSISDBHSA-N 426.477 0.595 30 10 ICEE O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)NCC#CCN2CCc3ccccc3C2)N1 1851131945 MONZGCDWTIKNSP-MOPGFXCFSA-N 426.542 0.344 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2=O)CC1=O 1854002724 VTCPPTVWIDFFKK-GFCCVEGCSA-N 427.429 0.359 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC)c(OC)c1 1865722048 JAAGQLNFNDEBDC-AWEZNQCLSA-N 428.445 0.098 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCC)cc1 1865722290 ODVWYVPENFYEQQ-HNNXBMFYSA-N 426.473 0.870 30 10 ICEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255624734 HTKJHUHJSLNVKF-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COC(C)C)cc1 2328607906 UHYHUWPVDKSYKR-INIZCTEOSA-N 428.493 0.974 30 10 ICEE CCO[C@H]1C[C@@](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 444749292 VCEBRUKPLKWOHW-HRAATJIYSA-N 433.509 0.840 30 10 ICEE COc1ccnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 480645950 QQSONAMJZSGVIB-CQSZACIVSA-N 430.490 0.372 30 10 ICEE CNC(=O)C1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 552173724 DHELRLDXXJOGLJ-HTWSVDAQSA-N 425.489 0.591 30 10 ICEE COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn3ccccc23)c1=O 729671918 RRQSGRZBQZWSIG-UHFFFAOYSA-N 446.492 0.741 30 10 ICEE C#CCN(C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 765896612 YZQRBBHRAPBQCL-QGZVFWFLSA-N 425.532 0.558 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCC2CS(=O)(=O)C2)C1=O 786689556 WUASJXXEKXHXRM-HNNXBMFYSA-N 439.515 0.918 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCN3CCCC3)CC2)s1 1135693423 GQCLEILUCXEPFJ-UHFFFAOYSA-N 426.608 0.995 30 10 ICEE C#C[C@H]1COCCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1195029495 XJBZEDVTPMLXNO-SFHVURJKSA-N 439.516 0.902 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1291232571 OWMQSTMIRCQDKA-AOMYARPXSA-N 436.476 0.533 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300488225 PQHJAHXCGVLKNI-RIFZZMRRSA-N 431.518 0.507 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@H]1C(N)=O 1301016447 RUBKUOKYGIDUFV-SJORKVTESA-N 449.577 0.596 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCOCCS(C)(=O)=O)C1 1303940172 UWUMOFKDLYXHHP-IBGZPJMESA-N 438.554 0.592 30 10 ICEE N#CC1(NC(=O)CN2CCN(c3ncc(I)cn3)CC2)CCC1 1307983466 QRUULVHCVRMRIW-UHFFFAOYSA-N 426.262 0.766 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2OC)c2nccn2C)CC1 1311471471 VLYDQVVZEWPEGV-GOSISDBHSA-N 446.533 0.313 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1358872771 YSCLYKWCCZKRAA-KGLIPLIRSA-N 436.513 0.915 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1359333135 OTHKDFHTGPASMD-JKSUJKDBSA-N 446.595 0.644 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 1445177111 AOZHIKJRRWCZLD-UHFFFAOYSA-N 440.522 0.861 30 10 ICEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1505129090 ABWPVEWWYUDFTM-FQEVSTJZSA-N 428.518 0.968 30 10 ICEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519173570 RERDCRBDTRMLLW-CQSZACIVSA-N 434.526 0.128 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539053175 LVYMRJPNNSNFGA-OAHLLOKOSA-N 448.553 0.279 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)NC)CC1 1539484258 JECVOOGKYDLXEH-UHFFFAOYSA-N 436.582 0.526 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1539632445 RZAOSKSLHSHLPG-QZWWFDLISA-N 437.566 0.863 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1540865059 UKRBHRKMAQTCMF-NRFANRHFSA-N 428.493 0.966 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1587639489 MBEQWKGLNCSAEK-WMZOPIPTSA-N 438.598 0.943 30 10 ICEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1587894296 RXLYFDACMCZFRE-HRAATJIYSA-N 430.509 0.816 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595467452 UVZTURIRYIUVQY-UHFFFAOYSA-N 446.581 0.806 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1=O 1618487878 GUACIBKAYDUAMH-GOSISDBHSA-N 426.477 0.813 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 1636479435 AODYWOUXDTVHIT-UHFFFAOYSA-N 427.324 0.947 30 10 ICEE CSc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 1641190147 GDKJRJCZHCGFAO-UHFFFAOYSA-N 433.515 0.982 30 10 ICEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1)c1cc[nH]n1 1651372616 QHEFDRIQMKROIX-GHMZBOCLSA-N 434.371 0.894 30 10 ICEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1656973372 BTACJRJUCPXNJF-KUHUBIRLSA-N 439.490 0.926 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1689852814 KZZPHRBKOPJPPB-YOEHRIQHSA-N 446.533 0.216 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690671191 QQMWOSHKKQFQMC-QZTJIDSGSA-N 445.568 0.217 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C1 1690684607 JHPZSENLUVPITB-KRWDZBQOSA-N 430.513 0.470 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1696084468 BKNNAVYMMLRQNE-GPMSIDNRSA-N 439.538 0.484 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1705551012 DWFSKUDKXLFLGC-QGZVFWFLSA-N 430.534 0.530 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1705647966 MURWFZLDZRFILW-QGZVFWFLSA-N 444.536 0.030 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1705844067 VEOBPYPVVXDZMQ-HNNXBMFYSA-N 429.543 0.165 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705914102 GNPOOLFTLZFGSJ-KIJUOZEOSA-N 443.508 0.724 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1722389832 MMOROHZXEGXQGJ-SFHVURJKSA-N 449.625 0.377 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1722397087 MWXJUGXPMSEJMH-FXAWDEMLSA-N 437.566 0.625 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2snnc2C)CC1 1722446146 OXWIQLFMSOBUCW-UHFFFAOYSA-N 425.522 0.853 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)CC1 1722583315 SCVHMDPELDVPOE-KRWDZBQOSA-N 443.570 0.412 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966391 YCMOORXQPYIGGV-AVRDEDQJSA-N 443.552 0.797 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccncc1Cl 1741945659 VSBQPHCLKBLKAV-YPMHNXCESA-N 425.902 0.714 30 10 ICEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749616370 DBHOIQCNWBROKK-ZBPHCFQXSA-N 448.568 0.966 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760131534 UPBCZFQLZQSJGI-IAGOWNOFSA-N 435.554 0.794 30 10 ICEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)n1 1769025983 HQFVQLXSRWVCHY-UHFFFAOYSA-N 441.517 0.940 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)CC1=O 1856641184 FJZAOVZQDWVARC-CYBMUJFWSA-N 442.444 0.635 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1=O 1872994435 QNQONPCRZWCZGU-SJORKVTESA-N 442.491 0.884 30 10 ICEE C[C@@H](COCc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247875710 AXPOVRHIKNXRFI-AWEZNQCLSA-N 436.343 0.998 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 2255605744 NTYCCWCQJPILPG-INIZCTEOSA-N 431.224 0.397 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267603508 DOBUBMBWUSAVCD-NRFANRHFSA-N 448.329 0.878 30 10 ICEE C=CCOC[C@H](O)Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 2328609039 UTWYUWDEKHPPGL-CQSZACIVSA-N 443.420 0.753 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 16775761 MGSRCUKMFFDKMK-UHFFFAOYSA-N 437.481 0.801 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2CC2CCOCC2)CC1 444583570 PKLWWKCBUDLFQL-UHFFFAOYSA-N 431.522 0.478 30 10 ICEE Cc1ncc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1C#N 489826482 FQWWVUCKGTXNRI-GOSISDBHSA-N 431.522 0.761 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 514522870 LLLMEFLLKMOJHM-KBPBESRZSA-N 433.555 0.804 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n(C)c1=O 542943593 OYQXZHNNKGKEEP-UHFFFAOYSA-N 438.835 0.783 30 10 ICEE CN(CCN1CCCS1(=O)=O)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 611429877 AUUVSARLTGOTKF-MRXNPFEDSA-N 425.580 0.424 30 10 ICEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 747823518 HCRZGKXUNHWMOY-FPAYPSAMSA-N 440.456 0.705 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCN1CCOCC1 838540481 IAWPHHSSDHLEHH-UHFFFAOYSA-N 432.509 0.454 30 10 ICEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCC1CCN(CC#N)CC1 1136779607 ZVLYSHVTUMNLLQ-UHFFFAOYSA-N 427.548 0.470 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2csc(I)n2)CC1 1144026993 NAQDGTKWQOYFEK-UHFFFAOYSA-N 432.287 0.645 30 10 ICEE NC(=O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1153563687 VEKOOLVNKVRGHW-UHFFFAOYSA-N 436.534 0.778 30 10 ICEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1162949627 STUJXKLTVHPPKW-RHSMWYFYSA-N 426.477 0.342 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)CC1 1197202033 KXGZUAUCQFZFGB-DYXWJJEUSA-N 429.496 0.514 30 10 ICEE N#Cc1cn(C2CN(C(=O)NCCn3cc(Br)ccc3=O)C2)c(=O)nc1O 1229283248 MBAAXALLDNPOQS-UHFFFAOYSA-N 435.238 0.011 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286438521 ZVXMDQXAWOWMBZ-VQIMIIECSA-N 425.555 0.671 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@@H]1CCCO1 1288826587 TWWUIIMPUKVFOE-RLFYNMQTSA-N 444.533 0.916 30 10 ICEE CC#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1300300990 MXXQZFSCIPKXSG-IBGZPJMESA-N 449.573 0.807 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1300431031 RXUHXHTWFTZIII-CYBMUJFWSA-N 426.543 0.825 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN(C(=O)CC#N)CC3)CC2)cc1 1307778322 MBPWMGRXMMKJBX-SFHVURJKSA-N 447.561 0.274 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1=O 1314919582 HEYGYTHLDUSPLY-JXFKEZNVSA-N 428.518 0.918 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CCO1 1315006001 BDHGXZMFVGXRLL-SFHVURJKSA-N 428.493 0.821 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358955842 UYZVTVYKAXXMAU-FTRWYGJKSA-N 439.582 0.840 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359334472 HHVUSJJJRQTGNO-GVDBMIGSSA-N 437.566 0.720 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1360684151 LFLVLWQLCPLREM-ACJLOTCBSA-N 441.533 0.637 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 1471450831 JVWWJRAQANYUOX-UHFFFAOYSA-N 430.328 0.136 30 10 ICEE CCN(c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1501648495 IGQFXDSWMBNYAG-MJWGMMHASA-N 448.549 0.770 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1507844295 HJMITXBOOHNRQH-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539200956 TWBNHECYHWZCGO-HUUCEWRRSA-N 425.580 0.939 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1539211936 QECFTKLXLBAVDE-OXJNMPFZSA-N 430.534 0.033 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1540897458 JRJIXIXTSZDTNB-AWEZNQCLSA-N 433.600 0.910 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@@H]21 1540898047 YNUZLZJVDJBVEQ-ZNMIVQPWSA-N 431.584 0.868 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2=O)cc1 1556171769 DJJSDHUHCICDKC-SJORKVTESA-N 425.420 0.495 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1588646019 FYDOMMLZGSQSHF-IGGDJGDASA-N 428.493 0.785 30 10 ICEE C=CCn1cc(CNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)nn1 1598174394 FZSZGOMBTCWXAI-UHFFFAOYSA-N 427.527 0.895 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1611686318 DPFSUCRPTNKFOB-MPGHIAIKSA-N 443.549 0.177 30 10 ICEE CC(=O)N[C@H](C)CCc1ccc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1614868758 FJJMJICCHYMUQB-CQSZACIVSA-N 426.473 0.523 30 10 ICEE N#Cc1cn(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1624923692 HBYWPRCRWUQBDO-HNNXBMFYSA-N 435.362 0.929 30 10 ICEE C#CCCOc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1629840421 HXCZFVUGPBLXAS-GOSISDBHSA-N 433.530 0.150 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)C1CC1 1629970051 AACWTYAAHDFSSP-HNNXBMFYSA-N 427.548 0.833 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nc(-c3ccco3)nc2SC)CC1 1632960169 BXWKANDJXANZHJ-UHFFFAOYSA-N 435.531 0.992 30 10 ICEE CC#CC[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1639840986 WYHGJTUSXXQPBO-INIZCTEOSA-N 425.482 0.183 30 10 ICEE CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 1643574785 SAYCBNYHIIPNCS-YJBOKZPZSA-N 436.534 0.615 30 10 ICEE N#Cc1ccccc1NC1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1647922996 JZAXBSDNEJUDRB-FUHWJXTLSA-N 430.530 0.997 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)CC1 1662385557 NRKMRUYDEDVWRD-UHFFFAOYSA-N 444.557 0.432 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1690076835 CABHOLXJPRYBLC-JTDSTZFVSA-N 425.555 0.622 30 10 ICEE CS(=O)(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1698298391 CGTTZSUUKKQEJP-FBMGVBCBSA-N 434.522 0.695 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(=O)(=O)CC 1705552599 DETOKRQKPOTQIQ-UHFFFAOYSA-N 429.506 0.993 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1705598334 HDRAAVPSNZUOBE-KRWDZBQOSA-N 432.506 0.419 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722702845 PMJALSYJHPGSNW-YESZJQIVSA-N 434.541 0.799 30 10 ICEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740558961 YPLOTEPAEPRRRP-MGPUTAFESA-N 434.518 0.873 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)CC)CC1 1740840421 YLPRJSHYEUCALL-OLRZCDJHSA-N 445.611 0.782 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1748639860 MXWPDLXHJOSHPP-HUUCEWRRSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748811820 LWNJEBCMMUBARE-KRWDZBQOSA-N 431.518 0.508 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)CCOC)CC1 1749009965 YHPLCMAAPCZHDJ-UHFFFAOYSA-N 425.537 0.884 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749413776 YDVFWWZSVXPCSZ-YOEHRIQHSA-N 431.584 0.870 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1749660452 PMRITAZCTAUIQW-UHFFFAOYSA-N 443.533 0.781 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749829881 ACSKKHLXSBGILC-HOTGVXAUSA-N 426.543 0.430 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760275504 YSJHNJQVPMVFDR-UONOGXRCSA-N 449.624 0.268 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)CC1=O 1856351779 UARINKDHVISHMK-DLBZAZTESA-N 437.562 0.297 30 10 ICEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856874755 WFCYZVVRBQGROK-HUUCEWRRSA-N 438.481 0.191 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1857264623 ICLSUQUSUGXBIX-CVEARBPZSA-N 431.514 0.835 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc(Cl)c(O)c(OC)c1 1865722273 NXNHYWYWTUZRHW-LBPRGKRZSA-N 448.863 0.448 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 2282342591 JLMLFQJDUAVDPP-CYBMUJFWSA-N 427.332 0.493 30 10 ICEE CN(C)C(=O)CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537247597 FXOBABKDZJTMRN-GOSISDBHSA-N 432.594 0.553 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCN1CCOCC1 603924070 JARVQKCNWAZQBJ-UHFFFAOYSA-N 440.569 0.614 30 10 ICEE CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)ccc1C 619510274 RBRRZWCSYZMCPR-UHFFFAOYSA-N 428.518 0.931 30 10 ICEE CCOC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 741247826 PMDFYPHXKSYGGQ-QGZVFWFLSA-N 443.460 0.719 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 789325771 JHMTZBDLYMULEL-FQEVSTJZSA-N 436.578 0.923 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 802341642 BKWJUJRRUJULNO-MRXNPFEDSA-N 433.484 0.957 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)c1 802581668 ALEYPPJCZBSETE-CVZTXRPJSA-N 444.460 0.930 30 10 ICEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 804388661 YDUYICKEKHKVKM-ZDUSSCGKSA-N 430.486 0.969 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 813563879 PJUJINWYBYOLMS-NDOWVXCQSA-N 434.566 0.127 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 820175174 UHTUSCRNFUMJMI-OAHLLOKOSA-N 433.442 0.979 30 10 ICEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1147811503 UACGXQSKLURHOU-UHFFFAOYSA-N 436.534 0.514 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)cc1 1214687864 UOEOLFUZFCQGEU-INIZCTEOSA-N 438.506 0.779 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(OC)cc(OC)cc2OC)CC1 1221232731 XQXNSGUOYPPUHY-UHFFFAOYSA-N 426.495 0.007 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2=O)cc1 1234023754 MKFWRHCWEBHLNW-ROUUACIJSA-N 425.489 0.726 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)CC1 1286480057 JWXVURPUXLVKSG-QGZVFWFLSA-N 438.598 0.802 30 10 ICEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C(=O)OC 1299178425 FZMUBVRRVSHUFH-MRXNPFEDSA-N 436.486 0.555 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300485605 XLQHMLABZUZRGK-GJZGRUSLSA-N 431.584 0.310 30 10 ICEE COc1cc(CNCCN/C(O)=C2/N=CC=CC2=O)ccc1OCC(=O)N1CCOCC1 1318520884 CXNYJBHNWDPTDT-DQRAZIAOSA-N 444.488 0.549 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)CC1 1359028983 LJOTWJNDWXARPN-AWEZNQCLSA-N 438.504 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC(=O)NC2CC2)CC1 1359043730 GGDOUIMPLNLOEE-UHFFFAOYSA-N 438.536 0.703 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OC)C1 1359299112 VQPUZXDEQLGJBQ-CQSZACIVSA-N 433.538 0.766 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1494321357 MYCBLJDEUJMGSN-OFGXNVERSA-N 443.508 0.759 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOCCS(C)(=O)=O)CC1 1507883077 YZCAPEYNKSQXTD-AWEZNQCLSA-N 435.572 0.106 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508084632 OZLZKYJPBKPSBE-MJGOQNOKSA-N 425.537 0.723 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1539324504 VFEXWRCJGOBMDR-KRWDZBQOSA-N 446.533 0.743 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540908119 CEDZEXXKBHDJLF-IAGOWNOFSA-N 427.571 0.572 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@]34COCCN3C(=O)COC4)CC2=O)cc1Cl 1544634255 SSNYKFLPBXJNAF-VBKZILBWSA-N 432.864 0.309 30 10 ICEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552877657 WACGIBDQOSSHGE-LJQANCHMSA-N 440.552 0.953 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053397 DXWIPPYXKGXJSH-DLBZAZTESA-N 434.566 0.342 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588223992 MBDLDWAXGAOHJQ-JKSUJKDBSA-N 438.454 0.955 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1595766029 KNAJCMWGCQYIOJ-UHFFFAOYSA-N 432.550 0.948 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)c1 1596907167 QRFLYDHFLZIUFO-UHFFFAOYSA-N 426.454 0.401 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)CC1 1622256757 JLDNQRPXXMGLNC-UHFFFAOYSA-N 425.530 0.674 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1630078049 OJBFZHHBQBLYFE-INIZCTEOSA-N 441.550 0.447 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC1 1644285496 QQEFYLUGSFINPS-JKSUJKDBSA-N 430.571 0.784 30 10 ICEE CS(=O)(=O)c1n[nH]c(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1650755064 VFAPSHTWVRCBLG-UHFFFAOYSA-N 425.268 0.917 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689991681 BCNYISKZDZWGSX-GOSISDBHSA-N 429.546 0.892 30 10 ICEE CC(C)(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1691313330 HXYRGICSTCSZBD-CABCVRRESA-N 442.542 0.155 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705689251 ZZCYFNJSGVJQHQ-XQQFMLRXSA-N 444.355 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705936101 JZKZTIVXPGWGDF-QGZVFWFLSA-N 437.566 0.832 30 10 ICEE CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1710673159 OMDZGGVLKPKYHE-HTXNQAPBSA-N 431.497 0.303 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CC2)CC1 1722443242 FNIYFWPBURKYHD-JOCHJYFZSA-N 431.537 0.809 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1722494630 QXLVFUCRVITAEN-AEFFLSMTSA-N 434.541 0.693 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1730956208 PYAKDEMQHGUWDH-QZWWFDLISA-N 439.538 0.556 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748821162 MTTCUHAKWJDABB-IRXDYDNUSA-N 437.566 0.698 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1748962596 LXECJYNIGSLZAF-UWVAXJGDSA-N 438.550 0.604 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@@H]1C)C1CC1 1749520100 ZDZGOKAAWNOZFE-ALKREAHSSA-N 441.554 0.306 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1760554997 SYRJZQRRJOKKQN-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1854262626 LNVHHMUZHRCELR-SFHVURJKSA-N 430.530 0.586 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403704 FXXBENJIRFHPAJ-NSHDSACASA-N 442.347 0.864 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc2Cl)OC1(C)C 2284413879 BWHSHPXUSJHSLR-SECBINFHSA-N 425.721 0.815 30 10 ICEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469964111 QLYOGJGFOMEIJW-KBXCAEBGSA-N 430.486 0.911 30 10 ICEE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2[N+](=O)[O-])CC1 503631560 YYGWKTDHUXXDBA-UHFFFAOYSA-N 428.449 0.461 30 10 ICEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)Cc1nnnn1C 508958779 CBWBXXHCMXMHNI-UHFFFAOYSA-N 431.526 0.753 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 512710748 YYBFVKJSHXMQDS-ZACQAIPSSA-N 436.578 0.340 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)s1 603797874 SLIFCRTYBPFTHM-UHFFFAOYSA-N 444.582 0.394 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 750961462 JQASRVJKNYGOFT-AVRDEDQJSA-N 427.505 0.798 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 751021053 NFFZRTUCIRXLML-CYBMUJFWSA-N 429.472 0.071 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1135005565 AJYMSFCRQUTBTJ-UHFFFAOYSA-N 431.474 0.867 30 10 ICEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1166996074 LBTPCHOQBHOPBM-ABAIWWIYSA-N 426.422 0.690 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 1252752405 OLHBTEWWTUKRNO-UHFFFAOYSA-N 434.566 0.088 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)CCOC)CC1 1286492770 INROFQGXGFDOSG-GCJKJVERSA-N 433.553 0.925 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCOC2)CC1 1300686277 ZFZDYKYWMWVQQZ-LJQANCHMSA-N 449.353 0.953 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)N(C)C)CC1 1300700597 SSUPPYISSKHACY-MOPGFXCFSA-N 436.626 0.912 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300971811 GIQXHYZVZCNIPT-TXPKVOOTSA-N 443.570 0.865 30 10 ICEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1301009123 BWXRTZFLGDZFMM-YJBOKZPZSA-N 448.549 0.948 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1301502882 RNCWGICPLTWIFP-UHFFFAOYSA-N 438.540 0.782 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1358949259 XBJYZTRIZIYYPV-INIZCTEOSA-N 433.538 0.190 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)CC1 1359036026 KQUJRROIZFXVOH-SFHVURJKSA-N 431.566 0.302 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1359105917 VNHQIJXENQQXNA-BZDHPDOMSA-N 449.552 0.863 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359299544 HRZKGDVCFSMYLO-RDJZCZTQSA-N 431.541 0.221 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359303206 HLODRWZBWNGIAQ-VQIMIIECSA-N 429.569 0.522 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359321358 FHSORQXHLMQTRO-LTIDMASMSA-N 426.539 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1359332785 HBNNYMXBSLYRRS-YJBOKZPZSA-N 446.595 0.786 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1359474217 OSKNSRPYPODCQW-OLZOCXBDSA-N 436.485 0.489 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1360476076 HYHACZUVIRVFMP-HOTGVXAUSA-N 436.542 0.636 30 10 ICEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1440787920 YXXZBTOHVCAROZ-MSOLQXFVSA-N 436.534 0.342 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1471521610 LJYDTRCQODVVPB-RDJZCZTQSA-N 426.922 0.841 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 1479366750 ZLICLLKNJPJMTG-HUUCEWRRSA-N 429.543 0.037 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507631495 QBOXNTWMZDDFCO-JQHSSLGASA-N 448.549 0.357 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1507641336 CSBZVNBPCVYWQB-OEAGWNGGSA-N 438.488 0.529 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507745000 YUYMZCGUQBLETF-HXUWFJFHSA-N 447.565 0.597 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC(N)=O 1507810269 YILHUTNOVLUJNN-AYDFFVQHSA-N 428.559 0.570 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1507983440 QHUQSLYXLPSTTG-QGZVFWFLSA-N 437.522 0.996 30 10 ICEE N#Cc1ccc(OCC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1Br 1535404808 YXOYAUHXRWLHQJ-UHFFFAOYSA-N 443.279 0.923 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1540863444 WNYBCWPRJXJTQZ-CQSZACIVSA-N 426.543 0.197 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 1558072912 HNSDMGZEFATNQR-UHFFFAOYSA-N 438.506 0.965 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 1558251648 QQRYROXIFLDMCL-QRVBRYPASA-N 447.557 0.870 30 10 ICEE CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H]2CCN(O)C2=O)cc1 1569561006 ODGJSNGLBFYCFG-CVEARBPZSA-N 439.534 0.624 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1587990459 XVRJYMIQIVRDOE-GOSISDBHSA-N 443.533 0.799 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1587990646 ZRQJUVZNVMRZHF-GOSISDBHSA-N 446.533 0.687 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588025224 WDUMMQQRQWMQFS-KGLIPLIRSA-N 445.492 0.467 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595536851 HGIXGHPZKJOUGP-IERDGZPVSA-N 428.468 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1595797979 KNANRAKCMBIOMT-HNNXBMFYSA-N 438.554 0.377 30 10 ICEE CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)OC 1614407231 HWIIPNVDVLNNNY-RKVPGOIHSA-N 444.533 0.868 30 10 ICEE C#CCN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1618030201 YMSCXGJBQOTHCS-KRWDZBQOSA-N 431.514 0.791 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1640675941 ZCOVSFPSWGBZHA-PBHICJAKSA-N 444.517 0.380 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1645168889 RJVZNNAFGZCBEA-OYHBZORUSA-N 427.523 0.701 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689990069 LFOVEUGGUTVUNY-SJLPKXTDSA-N 432.550 0.889 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689993106 VQJLYMKDTRFIRA-SFHVURJKSA-N 444.561 0.747 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1690077682 UGBFHALILAIENY-OAHLLOKOSA-N 441.945 0.621 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(C)COCCO2)CC1 1690141758 BSFMVHHBCHJJLU-OAQYLSRUSA-N 427.509 0.450 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C2CC2)CC1 1690150692 QNJDJMSYVHIUTD-JOCHJYFZSA-N 428.537 0.527 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696624699 ZSPXPPXYDKZDOE-MRXNPFEDSA-N 447.521 0.556 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1705552158 WCKCWAPXKBJXCZ-GHTZIAJQSA-N 445.545 0.514 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705564273 BNRIXZYBWSMCNM-CVEARBPZSA-N 428.580 0.853 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1705597049 VFCHUTKEWXQTJZ-IBGZPJMESA-N 433.516 0.972 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1712176611 ZMFQGDQNVHVWTP-IIDMSEBBSA-N 444.533 0.726 30 10 ICEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723073855 SPVJCZFOLBOYGS-SFHVURJKSA-N 442.568 0.853 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1740679804 KHXRSDPIOAQEBW-HRAATJIYSA-N 447.561 0.808 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760186129 APZCYEXSLPLRAK-GJZGRUSLSA-N 448.574 0.923 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1760281088 LINJTIJZTZGXPZ-AWEZNQCLSA-N 433.550 0.934 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC 1760296008 XRRJMEPREFXIEN-FRQCXROJSA-N 425.555 0.886 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760440794 QMHOFAFSLZWACA-BEFAXECRSA-N 440.570 0.540 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1767847133 GGZCCUHJWWETHC-KRWDZBQOSA-N 445.549 0.718 30 10 ICEE CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1768257652 YETKYERMXMWHFM-YJBOKZPZSA-N 427.527 0.482 30 10 ICEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247880437 FMDHKLNLKMPVPS-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2255620222 XJSRBBXGELGORD-UHFFFAOYSA-N 436.274 0.513 30 10 ICEE Cn1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652715 YMSZMIIESCOCJU-KGLIPLIRSA-N 436.318 0.741 30 10 ICEE Cn1nc(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 2267113851 ZTVDBTRLGZKUID-ZIAGYGMSSA-N 447.345 0.957 30 10 ICEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)n2N)cc(OC)c1OC 20919856 CWMNQSABACKGLS-KPSZGOFPSA-N 448.469 0.313 30 10 ICEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105452392 YEWZNSWJAQRJMC-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE C#CCN(CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 111191576 MOKUSBOWKUUINQ-QZTJIDSGSA-N 430.592 0.457 30 10 ICEE Cn1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)c1=O 433882777 BDCBJKORGWSVRC-UHFFFAOYSA-N 438.307 0.925 30 10 ICEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CN1CCN(C)CC1 466132652 LUZJQMYQORZWAZ-GOSISDBHSA-N 448.593 0.458 30 10 ICEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469964403 QLYOGJGFOMEIJW-RDTXWAMCSA-N 430.486 0.911 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 514310587 HQCCQLWPKKOJRA-AEFFLSMTSA-N 426.516 0.326 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCN1CCOCC1 603923761 YIHJAYCBRGHBMG-UHFFFAOYSA-N 449.536 0.039 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 732152471 CHYRTAVHGFMUMS-DOXHGZAWSA-N 438.531 0.934 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)cn1 732561192 IOJCUOCTJUWIEU-UHFFFAOYSA-N 443.573 0.577 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 741343940 XLGIPFTZPRONDM-HNENSFHCSA-N 446.485 0.492 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1cnn(C)c1 776345483 FDWQMDBHPWZHQE-IBOXJLQUSA-N 432.481 0.971 30 10 ICEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(F)c1 798739984 HGHYIVGEODZRMR-ZDUSSCGKSA-N 428.424 0.944 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 803697948 YGDGKWUEXIFHCL-UHFFFAOYSA-N 432.498 0.734 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1130824187 FCWHAQOUDGXLND-UHFFFAOYSA-N 436.486 0.895 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1133586886 XQBOMFXFNAIROV-IBGZPJMESA-N 447.495 0.802 30 10 ICEE C#CCN(CC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)C(=O)OC(C)(C)C 1156591215 BJFJDCJXBZNJBU-INIZCTEOSA-N 431.555 0.756 30 10 ICEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1157305265 BDXLEMSDCTYFKU-HNNXBMFYSA-N 427.461 0.920 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286607560 IBXKEPPGTUGTDL-CABCVRRESA-N 425.511 0.414 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286789086 AKYNKXGWJNMATB-MRXNPFEDSA-N 443.533 0.442 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300490646 ANLPFXHOGDWABN-CVEARBPZSA-N 435.550 0.551 30 10 ICEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1302171749 CIBSSQPCACYDLQ-SFHVURJKSA-N 448.549 0.950 30 10 ICEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C(=O)CC#N)CC1 1307778432 NDDPUFLLEOWDAF-MRXNPFEDSA-N 449.533 0.092 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC)C1CC1 1359251579 PBTISICWIRTFRI-HNNXBMFYSA-N 426.543 0.292 30 10 ICEE C=CCOC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1448497244 RBHZFGYZKCVSGV-BTYIYWSLSA-N 433.461 0.631 30 10 ICEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)C1 1456511933 PDRGXUQDCBGCRJ-UHFFFAOYSA-N 433.486 0.285 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 1471232030 SFAAJCKEJMDULG-IBGZPJMESA-N 449.305 0.501 30 10 ICEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471372800 DUHGPUQDYZLHMI-CQSZACIVSA-N 439.490 0.316 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507716465 RSGMSGJEALNCTH-IBGZPJMESA-N 431.585 0.528 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507750509 XGCAYKPPHHWRID-MRXNPFEDSA-N 440.533 0.868 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539132624 PBIORSQJFDZIOH-NRFANRHFSA-N 427.509 0.628 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1539210906 HUEKTYPFTFRIIB-OAHLLOKOSA-N 428.522 0.570 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)CC1 1539428317 QGOKFVATVFHCGY-UHFFFAOYSA-N 425.493 0.222 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540869954 BBTCXLYHWMOXFW-KRWDZBQOSA-N 426.525 0.899 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540870356 LKMIHYSAOLTRKW-KRWDZBQOSA-N 433.557 0.121 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540876657 XQPGFQZJUOBXJE-HNAYVOBHSA-N 441.554 0.246 30 10 ICEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555804452 UGDHJBFIVXHXGD-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C#CCn1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cn1 1556465733 UNDHGZIQUWVHCZ-MRXNPFEDSA-N 428.470 0.770 30 10 ICEE Cn1cc(I)c(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)n1 1569210453 WCFXRMCGECHYPT-BUHFOSPRSA-N 429.218 0.557 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588074771 RJPQIFFGCISZQS-DLBZAZTESA-N 425.555 0.162 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1593806481 BTBJPDOGRKSKSN-LLVKDONJSA-N 425.964 0.654 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1595785056 QNNSNTAQQMYFIL-UHFFFAOYSA-N 436.542 0.131 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1-c1ccccc1 1616126203 FYZHDUZPKMHSBN-RWQQGDIJSA-N 438.469 0.898 30 10 ICEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618785620 GRAOZOXRKRFDJB-MRXNPFEDSA-N 442.524 0.731 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1 1623228500 SWOGTYVFKSECGG-UHFFFAOYSA-N 449.533 0.213 30 10 ICEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1642539892 MTZZAQIYYDTBQP-UHFFFAOYSA-N 441.513 0.861 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)CC2)cc1 1683674364 LESSHNGVJFBFRU-QGZVFWFLSA-N 431.518 0.585 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CCS2 1684581557 WYEWTUINZNJHJV-SIXZSSQHSA-N 427.548 0.784 30 10 ICEE CN(CCOCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1687100815 ORRHRSYLDKXKMP-KBXCAEBGSA-N 430.527 0.450 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690003784 YFZFUCFQVLHJRU-GHTZIAJQSA-N 449.577 0.673 30 10 ICEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNS(C)(=O)=O)C1CC1 1690541087 MSXFXEWPMLQLSZ-UHFFFAOYSA-N 429.510 0.625 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705571841 JMZWTSYQSYQPGQ-OWSLCNJRSA-N 438.550 0.665 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CCO1 1708209656 DCSFNPHONCHHLA-CJNGLKHVSA-N 436.494 0.349 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1740725311 PGJMOJGGNVGOQI-RDTXWAMCSA-N 443.595 0.705 30 10 ICEE CCOCc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747130335 SRQHPFWGBAEJJY-PCYKQNFTSA-N 429.481 0.200 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748825019 VLTDKDDJUJPPTH-OAHLLOKOSA-N 425.511 0.284 30 10 ICEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)NC)CC1 1748998824 BDUVZMNEAQHSLQ-UHFFFAOYSA-N 432.550 0.470 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184981 NFWNZPPHQFAEJP-QGZVFWFLSA-N 445.545 0.898 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1)C1CC1 1760476781 GNABRSAVMGGGEN-OHZJNBGDSA-N 443.595 0.677 30 10 ICEE COCC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1770680117 CFHGDSNRCPTHDS-UHFFFAOYSA-N 438.492 0.948 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)[C@H](C)C2=O)CC1=O 1857078928 VBGCQJSPQKVZFT-ZBFHGGJFSA-N 437.493 0.749 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2298378693 QUJSMCGWQUKXTB-SEBNEYGDSA-N 426.319 0.926 30 10 ICEE CC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O 85593714 ZPHAATWBCGBELI-OIVQWWNTSA-N 443.452 0.889 30 10 ICEE N#Cc1ccc([C@@H]2N[C@](CO)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)cc1 247636691 DYFVNSILHKNNTJ-VWXURSGXSA-N 436.380 0.732 30 10 ICEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447277964 MBVKRBOHXSLWSM-UHFFFAOYSA-N 444.463 0.832 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCS(=O)CC1 482174523 XGORLADIIZLYFQ-AWEZNQCLSA-N 426.564 0.184 30 10 ICEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C[C@@H](C)O1 503630568 WHRKIHBNVFELDX-HZPDHXFCSA-N 434.518 0.683 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508828120 UCQLESFPRNDGDX-GJZGRUSLSA-N 426.543 0.150 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619712978 GNRCVCLKIDDNEV-QGZVFWFLSA-N 430.552 1.000 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 728880321 FVHSHXHNEWLHND-QGZVFWFLSA-N 446.573 0.803 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 729334707 BITCABJQBAMZJP-CYBMUJFWSA-N 431.561 0.015 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1286472441 XXHWGRAYWRXRGZ-HXUWFJFHSA-N 443.596 0.506 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1301509812 NMHBVDZAIVBERK-UHFFFAOYSA-N 427.509 0.663 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2CCOC[C@@H]2C1 1301588950 MRXLQXMYQCOJAN-IRXDYDNUSA-N 425.555 0.641 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1358938462 BEUCMHYAWVGVSP-ICUGJSFKSA-N 427.505 0.879 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358960589 HVFNCATVETUPJN-ZGGTZUKQSA-N 445.545 0.897 30 10 ICEE N#C[C@@]12CN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1473824915 WFNCOOLUQBHLBO-ZBEGNZNMSA-N 433.458 0.492 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507630943 AHEZQSDXFYCGFD-BZSNNMDCSA-N 448.593 0.730 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1507648446 ZZTXIVYPFLYNRF-UHFFFAOYSA-N 449.496 0.997 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507799921 YKAIFBIPHJGOLO-YJBOKZPZSA-N 430.513 0.034 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)C1 1508115732 PJRNOUJATKOJCB-RRFJBIMHSA-N 447.583 0.104 30 10 ICEE CSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccn1 1520051342 FYLLLNCKEKNBMY-OCCSQVGLSA-N 437.551 0.782 30 10 ICEE CN1CCn2nc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2S1(=O)=O 1523332943 LHAVLPSHJVNNHR-UHFFFAOYSA-N 430.490 0.904 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)CCOCC)C1CCN(C(=O)OC(C)(C)C)CC1 1558369844 CDUSGHZHCMNOEO-UHFFFAOYSA-N 431.555 0.804 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587803699 KIPCEKBVNDDCCF-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588024406 BQIMZSYWLHVXLL-KRWDZBQOSA-N 437.566 0.956 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O)C1CC1 1595058476 NGONVOSPYOOIAI-MRXNPFEDSA-N 426.543 0.292 30 10 ICEE C[C@@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1603132009 XYMDINODIBXGPN-GOSISDBHSA-N 433.310 0.964 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606609792 SSZWPCQOUPKEOQ-DNZUHHBVSA-N 428.497 0.217 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCN(O)C1=O 1628547593 HKGCLQBXSUZKDR-KBPBESRZSA-N 431.898 0.370 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(=O)n(CCO)c1 1630752334 QPSQSVKJJHVJOH-MRXNPFEDSA-N 432.502 0.933 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C2)c(=O)nc1O 1640636563 JWSWAENTYZIZKF-UHFFFAOYSA-N 435.487 0.364 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCN(C(=O)CC#N)CC1 1643134559 BULHAPCHOOKITD-UHFFFAOYSA-N 433.534 0.274 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)C2)c(=O)nc1O 1648787152 IEOFQFBYHYFHHB-CYBMUJFWSA-N 435.487 0.119 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689990414 NZXJNNWFDKWUBW-NWDGAFQWSA-N 440.469 0.369 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1692762467 CBVRRFCWDGQFLH-CZUORRHYSA-N 431.522 0.675 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705565128 GLEDGFSWZCFMMN-QINHECLXSA-N 435.550 0.277 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1705599504 ZZIHNDZUHVOBPR-CVEARBPZSA-N 425.580 0.825 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908385 ARUARBINPBITNA-VWKPWSFCSA-N 448.524 0.556 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC(C)C)CC1 1722448819 YYGQEYVQNWOXGD-INIZCTEOSA-N 429.525 0.110 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722702379 IWAQWZGHMQLCTO-SCTDSRPQSA-N 445.524 0.406 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1729069598 HDZRGVQIDATCRA-UHFFFAOYSA-N 445.549 0.985 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1740731889 KRGCDMULRDGEPM-YLJYHZDGSA-N 447.565 0.693 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748717620 DVSUDVZTKPYGIT-HOTGVXAUSA-N 428.580 0.997 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1C 1748886592 ILNPXYWQKCSNJA-UHFFFAOYSA-N 427.472 0.832 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)CC1 1748972996 URHFRSVIZQEXBU-DLBZAZTESA-N 446.581 0.103 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1751236514 HIELIQVEQDSIMQ-PBHICJAKSA-N 446.533 0.863 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760137131 OWVLHBGVXSAABX-YCRPNKLZSA-N 427.509 0.847 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1765921592 GFMNNONSJAIJDX-RLFYNMQTSA-N 425.511 0.094 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2=O)CC1=O 1853824229 AEHGSKGSXXDMNR-HNNXBMFYSA-N 439.921 0.875 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)[C@@H](C)C2=O)CC1=O 1854615657 RLKIZZXGDKUCRU-STQMWFEESA-N 441.456 0.747 30 10 ICEE CS(=O)(=O)N1CC(C(=O)N2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)C1 1857289366 AHAWIVWTPZSXIF-GOSISDBHSA-N 430.530 0.563 30 10 ICEE CC(C)(C)OC(=O)NCCOCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243686871 QXPLMABPWNYTBJ-UHFFFAOYSA-N 428.320 0.739 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2255754410 YZRUELPFBKSUIR-UHFFFAOYSA-N 448.354 0.814 30 10 ICEE C#CCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13047455 OFVXJQUCGGVCQT-CQSZACIVSA-N 429.292 0.895 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1C#N 471695347 YGACTAIWACFYRX-UHFFFAOYSA-N 427.509 0.750 30 10 ICEE COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCOC1 490053380 JTEOHGAZVMDUJD-GOSISDBHSA-N 436.534 0.128 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(N)=O)c2=O)c1 545902386 JPFIVYWDQGEXRZ-UHFFFAOYSA-N 448.504 0.802 30 10 ICEE CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706800 PTHCMVCGQJWVHA-QGZVFWFLSA-N 433.534 0.902 30 10 ICEE C#CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 733202791 XJWSBOONCWUHDK-QQMHEVNUSA-N 434.543 0.826 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 788693428 CLXPLQOGQRQPIE-UHFFFAOYSA-N 446.529 0.826 30 10 ICEE COc1cc(OC)c(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1Br 798836216 IEFMDJXCZUZFCM-MRVPVSSYSA-N 444.267 0.996 30 10 ICEE Cc1ccc(C=NNc2nnc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n2N)cc1 1084009785 RNKCENOKSTZYSM-UHFFFAOYSA-N 426.466 0.171 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1286409731 OQKGOUUNCQBSJQ-RBUKOAKNSA-N 433.578 0.610 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1286482483 SKGVOPAMRWLTMX-UHFFFAOYSA-N 436.564 0.183 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286509504 RNYCLHUXKSYVNU-LSDHHAIUSA-N 448.636 0.806 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O 1286566225 REYKMJYATXVXIN-MAUKXSAKSA-N 440.570 0.367 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286607561 IBXKEPPGTUGTDL-GJZGRUSLSA-N 425.511 0.414 30 10 ICEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)COCCO1 1289066066 KFTYCNSTSASSQB-FQEVSTJZSA-N 447.517 0.769 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(CCC(F)(F)F)C[C@H](O)CO 1295191641 CDDIMZXMESIWTE-LBPRGKRZSA-N 437.440 0.640 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cc[nH]n1 1300545936 ZRTFHFAOOIEGIL-UHFFFAOYSA-N 436.501 0.496 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1300806590 ZJSFEEMTNLICMP-XGHQBKJUSA-N 449.577 0.667 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)CC)CC1 1359165201 KBLMBNCGQNJTIA-HNNXBMFYSA-N 447.583 0.202 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1469977799 PRMNMMNXTZFSRN-LSDHHAIUSA-N 443.547 0.214 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1 1471451542 VWJODJNSMYDOET-UHFFFAOYSA-N 433.433 0.531 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1507643204 RYGFCDLIYWRDRD-INIZCTEOSA-N 438.517 0.590 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2cnn(C)n2)CC1 1507733121 OZZUPKIJRXQJOS-HKUYNNGSSA-N 428.541 0.519 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507751784 OFVNRMSURHJKNN-OAHLLOKOSA-N 426.506 0.574 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508047194 BOLUCDNMEBNRLU-NVXWUHKLSA-N 449.533 0.742 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1509820722 XOUMGRXJWVKQQD-WAOWUJCRSA-N 434.541 0.768 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCSC1 1510171723 DNDXUYIGMLGDBO-SUMWQHHRSA-N 428.584 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539467527 TYWCQNIALCMXPU-KRWDZBQOSA-N 430.553 0.862 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1540869784 WUZWLEMOLAWQIT-KRWDZBQOSA-N 425.493 0.564 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511265 DWKVJCRIAMGKAU-FTRWYGJKSA-N 434.518 0.914 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(N)=O)c1 1588181547 WPEVWBSWVYGFBO-MRXNPFEDSA-N 442.545 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccco2)CC1 1588923528 CMUIKXSLJAPQRN-AOMKIAJQSA-N 440.504 0.696 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)C(C)C)CC1 1588923868 OMXSMYRERYUQJI-UHFFFAOYSA-N 438.536 0.863 30 10 ICEE C#CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 1617454915 WSYHCOVAIQRTFY-UHFFFAOYSA-N 449.573 0.815 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)CC1 1627517695 JYSHACQLQRONGB-INIZCTEOSA-N 428.555 0.811 30 10 ICEE N#C[C@@]12CN(C(=O)CNC(=O)c3ccc(Br)s3)C[C@H]1CS(=O)(=O)C2 1635698861 XSUABYUYICLBNV-XPTSAGLGSA-N 432.321 0.637 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1637515410 ZEEZHONAVWGWTA-INIZCTEOSA-N 437.518 0.964 30 10 ICEE CC(C)(C)OC(=O)NCCN(CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](O)CO 1646354114 OILJRNDWLPDBMA-INIZCTEOSA-N 427.523 0.512 30 10 ICEE N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 1662954190 HFRWFOZHQMYZJG-UHFFFAOYSA-N 426.458 0.986 30 10 ICEE CS(=O)(=O)CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1682167063 NRYSIWDFIKMOPL-UHFFFAOYSA-N 428.536 0.399 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690171253 XYWFQOBYMDCPPL-SJORKVTESA-N 445.593 0.338 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1690644574 UGIOHCFCRFSFGB-HNNXBMFYSA-N 429.543 0.632 30 10 ICEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697993855 ULZGMLMONSDWKY-UHFFFAOYSA-N 429.529 0.693 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1705551146 HPTSOYMCPGIQKK-SFHVURJKSA-N 446.533 0.687 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705560601 IOETXYYBARWTOZ-HZPDHXFCSA-N 431.509 0.569 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1705573574 JRTIBZOQIPRAQX-AWEZNQCLSA-N 432.481 0.739 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1705655547 GRQIPBVAQLCGOJ-OAHLLOKOSA-N 437.533 0.954 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705887169 QWVSKLHPCJJEDL-KGLIPLIRSA-N 434.588 0.182 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722436480 HZEDZYCEDDUQLH-QZTJIDSGSA-N 436.582 0.556 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1728200297 YHEAYGBMINUYRW-IAGOWNOFSA-N 426.477 0.703 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)NC(C)C)CC1 1740699206 XZKUOEGBONPMHR-UHFFFAOYSA-N 448.597 0.223 30 10 ICEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740886822 UJASQXAGFVJFSZ-KRWDZBQOSA-N 425.493 0.004 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740986672 DINUMFBSQOLSSN-ZNMIVQPWSA-N 433.600 0.971 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740991901 HXOOHTVAXZENMY-HNNXBMFYSA-N 435.554 0.839 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1748891971 HMCVVNJWTQKPEA-IBGZPJMESA-N 449.577 0.891 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O 1749137365 XVMHFLIUAUWRRJ-MAUKXSAKSA-N 425.555 0.863 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760099306 DTLWHIJSRBTRSO-TXPKVOOTSA-N 425.555 0.670 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760186807 ATELOJSPMNFNCD-KBPBESRZSA-N 438.460 0.786 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760281649 VTDRMGCLIBIQGT-IKGGRYGDSA-N 448.593 0.963 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1760557591 QLMSAJZROVOLHF-UHFFFAOYSA-N 438.554 0.106 30 10 ICEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1770756445 DUCVDQANOCIXGC-INIZCTEOSA-N 436.538 0.169 30 10 ICEE C=C1C[C@]23C[C@@]1(OS(C)(=O)=O)CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 1848432692 OOGIIGNUMSNBBM-DTTJHOMQSA-N 442.486 0.206 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)CC1=O 1856791921 LJSVPYLLPFMIDW-DOMZBBRYSA-N 430.429 0.988 30 10 ICEE Cn1c(C(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc2ccccc21 1856850706 QSTIEYWKKYZANI-INIZCTEOSA-N 429.502 0.390 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521430 SAVVCGHWYVWVEE-ZDUSSCGKSA-N 448.329 0.905 30 10 ICEE C#CC[C@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270537801 PVMVPXLHKCKZJG-APWZRJJASA-N 426.491 0.396 30 10 ICEE O=C(N[C@H](CS(=O)(=O)N1CC[C@@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270538396 ZSKNXKZPUSWYMG-CABCVRRESA-N 440.499 0.970 30 10 ICEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)ccc1O 2330743766 NWHBQERPHHYXBG-UHFFFAOYSA-N 427.284 0.842 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 116940454 IOFQEWCMIYONAB-QZTJIDSGSA-N 434.537 0.415 30 10 ICEE Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3)ccc12 150063785 YZJVBUAIFJVLAS-HZPDHXFCSA-N 428.493 0.330 30 10 ICEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438617879 GNEQPVDDNVXVNW-IUDNXUCKSA-N 432.506 0.860 30 10 ICEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1 483472883 HTSAXDUFXZWWIS-CQSZACIVSA-N 430.490 0.820 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 609052732 MVPJIYTZSZNGML-UHFFFAOYSA-N 427.486 0.754 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 670207169 RQOYMHCFWZPPSV-ZACQAIPSSA-N 441.554 0.571 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 732152476 CHYRTAVHGFMUMS-WMQDPJMESA-N 438.531 0.934 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 732465152 FKJLMFFXBGNGSC-HNENSFHCSA-N 447.517 0.370 30 10 ICEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 764262779 YPHIEFAXEPTHFY-RHSMWYFYSA-N 433.534 0.901 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1133586887 XQBOMFXFNAIROV-LJQANCHMSA-N 447.495 0.802 30 10 ICEE C#C[C@@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCOCC1 1161673223 CPTKUWHAIPXXGR-LJQANCHMSA-N 435.546 0.992 30 10 ICEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@](O)(CC#N)C2)c1 1163162392 GTIVITNASCVXBD-MRXNPFEDSA-N 446.323 0.864 30 10 ICEE C#C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(Br)cc1 1230498548 FTZRZPKLBLINDM-HNNXBMFYSA-N 432.282 0.664 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286396523 VTXRCVTXSRITAZ-HNNXBMFYSA-N 429.568 0.064 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1286778358 ATCOPVWRJRLRCG-UHFFFAOYSA-N 443.474 0.891 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286785639 HRZKGDVCFSMYLO-WBVHZDCISA-N 431.541 0.221 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300500586 BZBXEZKVOLBOEX-JXFKEZNVSA-N 437.566 0.578 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1300559187 LEWPMYSOXGUHKM-FQEVSTJZSA-N 435.550 0.429 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300703263 DJYPMTSPPFMLGV-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301493096 UAJBSEMSVLAEPH-ZDUSSCGKSA-N 435.506 0.845 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301497473 XUCAWFYRYQOFRG-FUHWJXTLSA-N 426.525 0.584 30 10 ICEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1307894693 NUIKWTRBFUCCSH-QGZVFWFLSA-N 428.415 0.504 30 10 ICEE Cc1ccc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1Br 1309505473 BFSVXDXNWQFLKI-CABCVRRESA-N 432.340 0.967 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 1309802192 PYZQZQJHVZYKHE-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1358957755 ZTAARGNYQUBDOQ-LPHOPBHVSA-N 444.561 0.882 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1358994018 CAFVYGQSSZFQJW-MRXNPFEDSA-N 426.502 0.185 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 1455114561 DPUVPYUPRDNJQW-HNNXBMFYSA-N 442.950 0.755 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)OC 1470031934 BIUKEFUPPFWOGJ-IXDOHACOSA-N 428.445 0.263 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCS(C)(=O)=O 1507613241 KNZWZCKNJZBQCO-UHFFFAOYSA-N 430.490 0.725 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1507772580 LQIZDCPJOZRRRI-PWIZWCRZSA-N 437.566 0.764 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)C1 1508124665 MADIKYIDEUMZOX-IRXDYDNUSA-N 443.570 0.817 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1510181614 OXQWFMQEAIJPOY-QLFBSQMISA-N 426.543 0.558 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1=O 1517406975 PPZGIJCGKFEWQC-JOCHJYFZSA-N 437.504 0.590 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCOCC3)CC2=O)cc1Cl 1528811297 AXOZUDWOEZQXGI-CQSZACIVSA-N 440.909 0.343 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1539296892 VQWOJVHGZQCJHZ-ROUUACIJSA-N 436.582 0.320 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1539533399 PMMNUAFNNLQWSA-UXHICEINSA-N 437.566 0.738 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1540893144 XZBAOJPMEJCPFD-HZPDHXFCSA-N 449.533 0.985 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1541934736 DFISIWFGIXNGRV-JTDSTZFVSA-N 439.586 0.739 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC2CCN(CC#N)CC2)C1 1543478891 QTZMEDSWSLFZNE-OXQOHEQNSA-N 440.566 0.620 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1554510805 INPMRMRWWBYATI-UHFFFAOYSA-N 443.489 0.829 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1 1561899136 WDEQXURYARUZAP-KRWDZBQOSA-N 431.518 0.919 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1588923649 HNSACMFUHGHSQY-GIMINZRKSA-N 428.537 0.746 30 10 ICEE CO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619493683 WSNBEXYHCADZKF-DCOQFNDQSA-N 431.497 0.558 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)s1 1631306365 WWXKNWOOJJTJPE-JSGCOSHPSA-N 444.531 0.708 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 1666327996 JIHSIXIPMKYZRK-UHFFFAOYSA-N 434.566 0.757 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1667039441 HBKUHDWKGLLVPH-IMJJTQAJSA-N 429.520 0.617 30 10 ICEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1685124917 DCZXYGVERKRUPF-QGZVFWFLSA-N 427.548 0.410 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOCC1 1689950993 IYWOZSMHMMCXIG-UHFFFAOYSA-N 446.577 0.987 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690288207 MNAZBWSWIFISSB-GJZGRUSLSA-N 436.538 0.523 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690508234 DKMWTQUITMXKSY-GJZGRUSLSA-N 425.511 0.414 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705652908 RNWMEKLZHTZWIK-UHFFFAOYSA-N 449.581 0.357 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1705700617 WILLBTZDYUXVNB-ZACQAIPSSA-N 437.566 0.863 30 10 ICEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1710830700 ZOHIWDTWQYVCIJ-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1711302245 GSIKYDFFRVRNMY-HNNXBMFYSA-N 447.565 0.963 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C2CC2)CC1 1722449497 UAXODRCUNKQSRF-UHFFFAOYSA-N 435.532 0.756 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1722704432 SZACYWJXZUYFMY-OXQOHEQNSA-N 430.513 0.665 30 10 ICEE CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1729147313 VLVMXZKMYNUTRC-MRXNPFEDSA-N 438.510 0.597 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCOCC2)CC1 1740697946 JPQSWUYJQRYUQZ-UHFFFAOYSA-N 443.577 0.638 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)n1 1742699895 HJGVVECVFJXAFP-FQEVSTJZSA-N 430.488 0.831 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)CC1 1748972998 URHFRSVIZQEXBU-IRXDYDNUSA-N 446.581 0.103 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)on2)CC1 1749001534 VSNMOXOZKVSTTP-UHFFFAOYSA-N 425.493 0.825 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1760138229 UIYXAOYGZRDDOQ-HOTGVXAUSA-N 438.554 0.129 30 10 ICEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861004643 JMVFRRUPFJUMPR-CQSZACIVSA-N 429.926 0.729 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255815144 JIQDKUMBJFNBCZ-KBPBESRZSA-N 436.318 0.429 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)n1 2282508624 YYQXSDPHMCPGTB-AWEZNQCLSA-N 427.332 0.635 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2317677185 VABLVEWAEISEGZ-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440378817 GUQIKOCANPCOMU-BBRMVZONSA-N 442.497 0.208 30 10 ICEE CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486513095 BCQWOQIJONBCCN-FQEVSTJZSA-N 440.548 0.901 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 492376565 QFPFYBIDWHQIFN-IBGZPJMESA-N 427.509 0.220 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 505206170 ZDGWWQDYKMDFFN-UHFFFAOYSA-N 433.534 0.713 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 508937871 DSKJKRFZQQTWHB-INIZCTEOSA-N 433.538 0.519 30 10 ICEE C[C@@]1(C(N)=O)CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 541699540 VPZRYHKIWRFHSG-FQEVSTJZSA-N 433.534 0.121 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 552688453 IZVUDAWGYNJHPC-CZUORRHYSA-N 428.536 0.107 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 555243783 JWPVUWPBPDSDKV-DOTOQJQBSA-N 435.554 0.915 30 10 ICEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 611547474 FAZGGBNVIPFCPH-UHFFFAOYSA-N 440.548 0.988 30 10 ICEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732467431 XCCYQENZVIYDKF-MEUCICPISA-N 432.525 0.287 30 10 ICEE C=C(C)C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1132934710 SUILSKCUEUPXFV-SNVBAGLBSA-N 426.271 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC1 1226847436 NWQHBTKAEMYGKJ-UHFFFAOYSA-N 449.455 0.360 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C[C@@H](C)O1 1252035132 KWRMSWVWHKYCLB-OKILXGFUSA-N 427.552 0.801 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1286294732 FQTWEYZRYDTCRW-OKZBNKHCSA-N 438.598 0.943 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CC1 1286485041 BCTZPYBPLOUIAJ-GOSISDBHSA-N 441.580 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)CC)CC1 1300718974 JNGDYWVMMJGFEW-UHFFFAOYSA-N 444.561 0.850 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300756312 JOSQFQMRPOEHCZ-HOCLYGCPSA-N 445.549 0.362 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]3C[C@H]2CO3)nnc1[C@]1(OCC)CCOC1 1301596710 WTALOQNFODCCLM-BXWFABGCSA-N 426.539 0.899 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)n1 1304753305 ATVIAIKHCPKADV-SFHVURJKSA-N 436.517 0.617 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1305117073 RBFSBBREUWRURF-KMMVWKSPSA-N 443.508 0.713 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCS(=O)(=O)CC1 1358952304 FYTPJRZZWGQVDF-UHFFFAOYSA-N 437.547 0.279 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)CC1 1359038512 YUFWTJLERHUVET-LJQANCHMSA-N 430.553 0.741 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCO[C@@H]2CCOC2)CC1 1359040011 FBGHDCBWSPRIQJ-GOSISDBHSA-N 446.552 0.578 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1360476075 HYHACZUVIRVFMP-CVEARBPZSA-N 436.542 0.636 30 10 ICEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1478309243 AGQZWORSMYNVMF-WMLDXEAASA-N 432.568 0.016 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1507633375 RZEQDUXGYOSARQ-HOTGVXAUSA-N 437.566 0.919 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507845130 WRHMHWLVKKLVGT-IBGZPJMESA-N 448.568 0.356 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1535780039 CDVJHSRTILPKCJ-FZKQIMNGSA-N 429.495 0.183 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539221462 OMPCZYSWBMONCA-SJORKVTESA-N 434.566 0.340 30 10 ICEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511533 URSRIFKHNVNSQQ-ZWOKBUDYSA-N 435.502 0.715 30 10 ICEE Cn1c(O)nc(N2CC[C@H](NC(=O)COc3cccc(Br)c3C#N)C2)cc1=O 1639531410 DMFNAVHEBFZXCD-NSHDSACASA-N 448.277 0.894 30 10 ICEE C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1662023909 LOYQCUACAIHATI-KUHUBIRLSA-N 439.490 0.926 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690675993 MADMGTAPUPJPNX-QGZVFWFLSA-N 439.520 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COCC)C1 1690714424 MKEBQHGYYKPMRF-MRXNPFEDSA-N 425.555 0.978 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1690724770 WFKVLPIUDIVDNG-GJZGRUSLSA-N 446.595 0.785 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1=O 1696882315 CZMLZTJEVWTLQX-UHFFFAOYSA-N 426.477 0.549 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705559919 GZDKTVMCACDQRA-CVEARBPZSA-N 446.533 0.835 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722358407 BGUMTBRVBPYFSA-CYBMUJFWSA-N 441.460 0.855 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N(C)C)CC1 1722434270 NHMJNPQWBUCWET-UHFFFAOYSA-N 437.957 0.640 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722535334 GEDLJPAJPDHHBR-GOSISDBHSA-N 446.552 0.821 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nncn1C 1741904619 BUEDHDBXGZMJQI-CYBMUJFWSA-N 429.510 0.573 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1748962594 LXECJYNIGSLZAF-HLIPFELVSA-N 438.550 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749004911 PZXOPQWSMSIMBP-MRXNPFEDSA-N 436.582 0.649 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749676353 NKURCBGLWAVIHL-QGZVFWFLSA-N 439.520 0.736 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749964199 REGKSISCUMHCFM-MEUCICPISA-N 443.508 0.413 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)CN2CCOCC2)CC1 1760251648 FPFMVODVYDCBMD-IBGZPJMESA-N 445.612 0.920 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760357108 DYDQEQUQSRHZLO-HNNXBMFYSA-N 446.595 0.786 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)n1 2255840135 IPOCJABKAJKIGS-UHFFFAOYSA-N 436.322 0.312 30 10 ICEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112943 NVPNORDDENTISI-WDEREUQCSA-N 445.251 0.786 30 10 ICEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264761 WIXFHMGHHODNHW-WDEREUQCSA-N 445.251 0.786 30 10 ICEE O=C(N[C@H](CS(=O)(=O)N1CC[C@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270538397 ZSKNXKZPUSWYMG-HUUCEWRRSA-N 440.499 0.970 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cn2)C[C@@H](C)O1 443318608 IMFQZJPFNJKZBA-RYTJFDOTSA-N 430.509 0.904 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)CC1 443689090 BCDICJWPJVRMPW-SFHVURJKSA-N 437.518 0.162 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508919140 POLNEXGBNFQWSW-CVEARBPZSA-N 427.527 0.183 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 543860770 JXDNGTRNAVDGCW-GFCCVEGCSA-N 446.510 0.840 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(F)c1 609256951 NIUBOBWVVWDLCD-UHFFFAOYSA-N 446.460 0.973 30 10 ICEE CS(=O)(=O)N[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 735062647 OGAQPMIDUXSVMA-AWEZNQCLSA-N 442.563 0.436 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735294999 MCGRIPXRKWTYNK-UHFFFAOYSA-N 439.449 0.486 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c1 744602065 XGKJBGCAYBXLKP-CQSZACIVSA-N 430.486 0.983 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(c2cccc(C#N)n2)CC1 760549758 DWTAQBSNNRVNLP-UHFFFAOYSA-N 442.501 0.891 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 767625923 FMPDYMNNZZPKBU-WBAXXEDZSA-N 435.502 0.938 30 10 ICEE COc1cnccc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 794339176 MLSQMAHBTADQEB-UHFFFAOYSA-N 429.502 0.868 30 10 ICEE C[C@H](C(=O)OCC(=O)NCC(=O)Nc1ccccc1Br)n1cnc(C#N)n1 798743579 BLDQOOROHCFOFS-SNVBAGLBSA-N 435.238 0.771 30 10 ICEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CC1(C#N)CC1 815413954 LPEGLAHXRMASOG-UHFFFAOYSA-N 437.474 0.892 30 10 ICEE COc1cccc(C=NNc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)c1 1084030648 GQQAKGXUYIAMOR-UHFFFAOYSA-N 441.477 0.695 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116938288 ODGLNXBHIBNGOZ-RCCFBDPRSA-N 437.562 0.084 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCn2ncc(Br)c2C1)c1cc[nH]n1 1147420476 JQBLSASXFHFDRA-UHFFFAOYSA-N 425.243 0.695 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 1207302216 NWQZXSCIYBZVJH-CYBMUJFWSA-N 428.477 0.917 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286355919 FOBFLTNZFYCNDF-QGZVFWFLSA-N 434.566 0.818 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286391048 BROXDLLYWWWUEC-OAHLLOKOSA-N 431.584 0.043 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCCS2(=O)=O)CC1 1286485893 BTIIWUHKBUSPSZ-INIZCTEOSA-N 436.582 0.793 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1286558065 ZNZMTZIKIUQLHJ-PMPSAXMXSA-N 428.580 0.730 30 10 ICEE CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1295809732 AOHWNMLKMBSFOE-CABCVRRESA-N 446.599 0.590 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1300672070 UZIXWHRQBSOJQK-AWEZNQCLSA-N 435.497 0.742 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1301474826 IEUAGQJMKAXRQR-CQSZACIVSA-N 431.522 0.851 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1302438508 HYOSUXDDUMEYAY-CQSZACIVSA-N 438.460 0.821 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1316137187 DCTJVBKQCAMIEG-FVGNFYTDSA-N 443.552 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358962820 XSZLXPYHWYMLKM-IHRRRGAJSA-N 443.476 0.280 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1359031092 PPDUNDLYZJBDTR-UGKGYDQZSA-N 432.569 0.406 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359291562 VKZYUJXVEYBCHF-ZDUSSCGKSA-N 431.463 0.791 30 10 ICEE COC(=O)c1ccn(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1464034887 OTUUURWKGRLQOL-UHFFFAOYSA-N 445.501 0.855 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 1464848784 RTXQPKLHFZFRSJ-IBGZPJMESA-N 449.349 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(OC)c(OCC)c(OC)c2)CC1 1477652009 ITZKWIHJEYFJHU-UHFFFAOYSA-N 440.522 0.397 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507589212 UXKBRCYNBMTRNN-ILXRZTDVSA-N 439.494 0.139 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507715615 FDLDNXQIQKLTNF-WOJBJXKFSA-N 443.596 0.769 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CCOC)c2)CC1 1507716015 LDISPTQMCUSYOY-UHFFFAOYSA-N 426.525 0.161 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1539015662 QLQIUFHVZCZXBN-JYJNAYRXSA-N 445.536 0.994 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539085133 GZGOIMHCELQLTE-UHFFFAOYSA-N 427.553 0.672 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1539212900 YULQTQKRUHCAIR-BQJIDLTASA-N 447.561 0.840 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)C1 1539415419 CLOFOKHGPBKUMU-XAUUPUKJSA-N 426.539 0.877 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540004565 BAXYZBVIPXLLNH-KKUMJFAQSA-N 441.510 0.691 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540901960 WARFNYKAMXMGMA-KRWDZBQOSA-N 436.582 0.499 30 10 ICEE CN1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1554363130 LZYARMBRGQWYSB-VXPUYCOJSA-N 436.476 0.069 30 10 ICEE CS(=O)(=O)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1555808075 OPAQMEMLRVJHIE-KRWDZBQOSA-N 428.490 0.017 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 1588198832 AIXNVJZUUHRBKF-FQEVSTJZSA-N 440.525 0.770 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2COCCO2)n1 1588724222 VSZOMFUFDXHWJS-IEBWSBKVSA-N 430.509 0.680 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588884475 BMFFYJYYCJMRBM-ROUUACIJSA-N 446.552 0.434 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)s1 1629524390 SSYDZGIRSRORJK-TZMCWYRMSA-N 444.531 0.708 30 10 ICEE C=CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1653696116 QYVZRYWNPFKRFR-MRXNPFEDSA-N 430.548 0.823 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1 1682575231 KRCDWYWNPFXTBD-FQEVSTJZSA-N 449.577 0.163 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(Cc3ccccc3)CC2)CC1 1682965820 HFVCEIXOILQDGY-UHFFFAOYSA-N 433.578 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690143804 CKJCIIWRAYJUAK-OKZBNKHCSA-N 444.536 0.247 30 10 ICEE CC(C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691653281 MDDFCEIKRSPRTE-ZPHPHTNESA-N 431.497 0.223 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1698238438 BUTTXJJABYFHMU-HOTGVXAUSA-N 426.543 0.681 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1705621662 KHOMFVRTZNCFQW-DNVCBOLYSA-N 427.571 0.916 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1705906482 GWSOBOCWXHWNGH-SFHVURJKSA-N 426.521 0.989 30 10 ICEE CCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709134043 YEKUGDMDXRVSQJ-ZCXUNETKSA-N 444.540 0.997 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1712874757 BNYHEHIXWUPRLU-ACJLOTCBSA-N 433.469 0.802 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1722427419 UVQQVYVJTDLIPA-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1722559979 NNKOLTJJZFKQFR-HNNXBMFYSA-N 448.549 0.957 30 10 ICEE Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726351335 DBLQNBGLCONLGY-VHEBQXMUSA-N 431.541 0.908 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1740548945 CLNSPYOVCCURHV-SQNIBIBYSA-N 438.598 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CC1 1740696546 WSFRIWHUFMUQJS-OAHLLOKOSA-N 437.957 0.486 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)CC1 1740697157 UGSWMSHILPFKCX-UHFFFAOYSA-N 438.504 0.452 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740781648 RUYJGGNGCDNYKA-KRWDZBQOSA-N 443.552 0.746 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1740850473 HKCGCVZXACVTND-CABCVRRESA-N 425.555 0.734 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740961562 FEZUYGZPINGXIJ-KRWDZBQOSA-N 447.565 0.332 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1740961936 NBNZKWMXRFGXEY-UHFFFAOYSA-N 429.506 0.054 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1748825902 HXNVDBMBNZGVHP-QGZVFWFLSA-N 442.545 0.700 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1760289510 PNAPLZAYPHAFQS-JKIFEVAISA-N 429.568 0.315 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1760528960 RTYIODLCCFWBST-GCJKJVERSA-N 448.568 0.533 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1761502788 SBBXYLOHNZHXKF-JYJNAYRXSA-N 442.542 0.203 30 10 ICEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1853754150 LXVOGOMEVHVXAP-LJQANCHMSA-N 430.530 0.728 30 10 ICEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN3CCOCC3)n2)cc1OC 1890093520 YBVCBXSSKWPHPR-UHFFFAOYSA-N 426.473 0.379 30 10 ICEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248420483 VHWLCSLDCAJYKP-SNVBAGLBSA-N 442.347 0.862 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2333316047 DLOOMABESJEBQV-FVQBIDKESA-N 449.313 0.660 30 10 ICEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)NCc1ccco1 8685112 UOAWINFZDMNICQ-GSUVBEQCSA-N 437.477 0.863 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440389445 XIBZYXMYSVNKQT-UHFFFAOYSA-N 438.440 0.768 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cn1C 503624530 FADCBUPENYCOTN-IBGZPJMESA-N 439.538 0.823 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 537258966 MGJNLXXMBBYBEC-NRFANRHFSA-N 442.539 0.454 30 10 ICEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)n1 559038349 GKFHJGUYANJSMW-INIZCTEOSA-N 438.488 1.244 30 10 ICEE CC1(C)Cc2cccc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(CC(N)=O)c3=O)c2O1 606428544 VTTDOLZRHKCBBD-UHFFFAOYSA-N 437.521 0.981 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729672080 WEBZZCBJJIWBPI-OAHLLOKOSA-N 439.541 0.868 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758039164 ATNCMMUCFLBDPD-UHFFFAOYSA-N 432.509 0.543 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 760320296 WEGKJUHRQBCGQF-GJZGRUSLSA-N 446.533 0.657 30 10 ICEE O=C(N[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOC1)OCc1ccccc1 780940977 SNZNBABLYOWNGM-APOCOGJHSA-N 428.445 0.715 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccccc3C)CC2)o1 915374550 YGVMHNBALMNHLY-UHFFFAOYSA-N 425.445 0.785 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116938286 ODGLNXBHIBNGOZ-KZNAEPCWSA-N 437.562 0.084 30 10 ICEE COC(=O)CCN(CC(OC)OC)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1138150347 CGTVFUHCWHUJIQ-ZDUSSCGKSA-N 441.506 0.514 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 1175515051 PSDZAHTYRNHYCG-PXNSSMCTSA-N 446.573 0.598 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387143 AWFOPDWYSFFDSP-MRXNPFEDSA-N 431.518 0.669 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1300466655 ZMBWQRPGTANVIF-INIZCTEOSA-N 433.509 0.748 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccn(CC)c2=O)CC1 1300719523 DXRLVJDLZSYYDH-UHFFFAOYSA-N 446.515 0.931 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1300972635 NRVYZTJAFXOVGE-AWEZNQCLSA-N 449.599 0.494 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1301952478 KDNASDNBNIMBGV-ARFHVFGLSA-N 449.585 0.887 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc3n2CCNC3=O)C1 1303122132 IOVLESVSHGGYCK-UHFFFAOYSA-N 430.266 0.408 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOCCS(C)(=O)=O)CC1 1359043678 DDRDAGZOOOOGIQ-UHFFFAOYSA-N 448.549 0.300 30 10 ICEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359235885 QZSUUEXSPNAOMY-QGZVFWFLSA-N 443.537 0.967 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507634170 WYRZZZZBMACYHM-HOTGVXAUSA-N 444.579 0.581 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](F)COC)CC1 1507740903 HHJPPSJZPGOTPW-KSZLIROESA-N 437.516 0.952 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1508131316 LMDIEVVMZZVVKL-WMLDXEAASA-N 449.599 0.494 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1539416956 WGAIXXLPOFDXCL-CVEARBPZSA-N 444.579 0.091 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1540884279 MSNPHDOSIZNWSU-JTSKRJEESA-N 449.552 0.994 30 10 ICEE C#CC[C@@]1(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1542545574 MCJCNADJDLSZNT-KXBFYZLASA-N 428.555 0.811 30 10 ICEE N#CC1(C[C@@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCOCC1 1559767526 QKPNLCSIYROYCE-CQSZACIVSA-N 428.477 0.508 30 10 ICEE C#CCN(c1nnc(C)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588035888 ZCRKMPHORVHGAU-KRWDZBQOSA-N 426.539 0.425 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 1588837384 SCOXIGKLSXYELI-SFHVURJKSA-N 438.598 0.802 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cnn(C)c1 1608562932 FDENSOGLQJHYNX-UHFFFAOYSA-N 434.508 0.791 30 10 ICEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1627057462 DRUQDJGQVYAJHL-MRXNPFEDSA-N 449.577 0.674 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)CC2=O)cc1Cl 1635345902 LGMXRKDGKWPHTB-HIFRSBDPSA-N 425.894 0.573 30 10 ICEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(OC(F)(F)F)cc1 1641282357 NXRKEJWZXPJDNU-NSHDSACASA-N 426.351 0.650 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nnc3ccc(N(C)C)nn23)ccc1F 1645337211 DAQOVTYBYINNMX-UHFFFAOYSA-N 433.469 0.724 30 10 ICEE N#C[C@]12CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1645991493 QUNOUQPZJXIJPW-BLLLJJGKSA-N 426.292 0.576 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1670482206 NTXCUGCQQDKFCA-CVEARBPZSA-N 425.507 0.861 30 10 ICEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1687567724 DGYDQDHKUSTDSG-WMZOPIPTSA-N 440.547 0.158 30 10 ICEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1709835737 CFQZPZIMQUYTED-UHFFFAOYSA-N 425.493 0.923 30 10 ICEE CCO[C@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1710475306 APJULTDOQKXFFG-HXUWFJFHSA-N 429.481 0.905 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)CC1 1722438011 RPSLVXYSFXDNRO-QGZVFWFLSA-N 446.552 0.867 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)C)CC1 1722453395 RVIDEYHLXQQWSC-WMZOPIPTSA-N 432.525 0.056 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCN(C(C)=O)CC1 1722476415 UNZJJRJVKRULSJ-JOCHJYFZSA-N 427.553 0.557 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1722617774 MGLPCVWJQRDBTR-GJZGRUSLSA-N 427.527 0.577 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740625975 UPGULVMYHDYGRL-NQIIRXRSSA-N 446.577 0.927 30 10 ICEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740796212 SEMVRTKRCKEVPB-UHFFFAOYSA-N 444.584 0.943 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740954473 ADHGCZGDFQWYNJ-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1748791154 POFJRUFRADFUST-QGZVFWFLSA-N 438.598 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)CC1 1748990805 LPGLNFORYMNWBG-KRWDZBQOSA-N 426.525 0.337 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1749600451 YZKZGWXMLKDHDC-LSDHHAIUSA-N 432.568 0.254 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749729520 MGQSNDSNMVVYCE-WBVHZDCISA-N 430.534 0.903 30 10 ICEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CCO1 1750388375 OGCWEIOEGLDORT-LSDHHAIUSA-N 432.506 0.804 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1752388107 MVYMKKOUMKOGIP-HNNXBMFYSA-N 434.522 0.893 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1760185073 OVVGIIYFEBTMDZ-OAHLLOKOSA-N 426.506 0.636 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760189090 NILUVUHWLGNZKE-BEFAXECRSA-N 432.506 0.167 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760557162 BPNWUIFGVKHXJP-UHFFFAOYSA-N 430.490 0.266 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1761502789 SBBXYLOHNZHXKF-XHSDSOJGSA-N 442.542 0.203 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1768281010 LQJIDPIYXLPJCK-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1770682560 DPSMDBHABWWJGJ-JOUJLLDFSA-N 443.508 0.759 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC)c(F)c3)C2)CC1=O 1856803771 NTTOOCKOHHTNFE-OLZOCXBDSA-N 428.438 0.717 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613907 XZRADQRNPJHWPN-JQHSSLGASA-N 429.473 0.480 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255648547 MJFVXFNIPVLHGH-KGLIPLIRSA-N 436.318 0.741 30 10 ICEE CCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 409515881 VFEJDTUMRNTDMY-KRWDZBQOSA-N 437.570 0.322 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1n[nH]c(C)c1C#N 578371104 JHDUBLNSVJHYNC-UHFFFAOYSA-N 432.506 1.177 30 10 ICEE Cc1nc(CN2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n[nH]1 611431235 CJLJIUHSPNHTHI-QGZVFWFLSA-N 428.566 0.701 30 10 ICEE C=CCOCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 679492086 UJBWVJTZPMPEHQ-UHFFFAOYSA-N 436.534 0.846 30 10 ICEE CN1CC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 773973562 AIVWHFMJEOCERK-DLBZAZTESA-N 432.502 0.987 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1139176269 UIXDPQQJKZKIHP-HUUCEWRRSA-N 427.498 0.610 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccc(OC)n3)CC2)s1 1142855275 OXCZMLXEWSJRNW-UHFFFAOYSA-N 437.547 0.902 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1 1144392703 MZUDSXZEIIJTBK-UHFFFAOYSA-N 435.502 0.224 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 1223231746 OXZQSTAXIJFWER-UHFFFAOYSA-N 430.534 0.784 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286394165 VBLLUXDTJVQMMX-LLGFUMIMSA-N 449.577 0.578 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1300466347 WPJDXNHSQIIOFK-SFHVURJKSA-N 449.533 0.768 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300505686 FRUPOLVKLNSWTI-FJIDUMEYSA-N 438.550 0.808 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1300696250 WFWFETBMXZQRGN-QGZVFWFLSA-N 431.566 0.320 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301499593 CJYXHYLTYFTOIZ-JKSUJKDBSA-N 438.554 0.089 30 10 ICEE CC1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303976613 OVKPGDDAMRTRCP-WMQDPJMESA-N 429.481 0.371 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1359025559 SIEOLJLGWPMWFL-IKGGRYGDSA-N 443.545 0.835 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1359296327 FOHVUUIUMCWDRY-QFIPXVFZSA-N 440.504 0.981 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359300196 WERVJNCHAWSVPD-IAGOWNOFSA-N 442.524 0.250 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1359332121 PTNIWZFFLDJVID-CQSZACIVSA-N 425.511 0.219 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]([C@@H]2CCCO2)C1 1458022375 IXHHEUKZQMFXAT-NJAFHUGGSA-N 435.502 0.796 30 10 ICEE COC1CCN(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1504490973 ADYVRGRPWMGNIQ-IAGOWNOFSA-N 431.541 0.847 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)Cl)CC1 1507736007 JUJKDEXUQCYMPX-CYBMUJFWSA-N 428.946 0.607 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1517480710 BDTKREAAAYJFHO-OAQYLSRUSA-N 425.493 0.779 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CCO1 1517532556 BXRNUDLJXQEJFJ-QGZVFWFLSA-N 425.493 0.540 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)n3C)CC2)cc1[N+](=O)[O-] 1540297512 YDCFGAXZTDEBKM-UHFFFAOYSA-N 433.446 0.960 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1541927701 ONEFRTYETRVISL-GRDNDAEWSA-N 442.517 0.873 30 10 ICEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1548041824 DMDQCMFBOSMMIR-FVYSKSNYSA-N 440.504 0.970 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1587707063 VYSOJXITRXSBKY-MRXNPFEDSA-N 432.554 0.808 30 10 ICEE C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1620316228 QJMCCPWYUFYQKD-JDVQHWSZSA-N 429.481 0.369 30 10 ICEE CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C#N)CO 1636605679 ZJYLJMKZCSFZAN-WCQYABFASA-N 436.353 0.850 30 10 ICEE C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1662023908 LOYQCUACAIHATI-IFXJQAMLSA-N 439.490 0.926 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1689852698 JIRKZDHZFDSTEA-CJNGLKHVSA-N 438.510 0.252 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1689875354 QDFWWDREUDTXMM-BZSNNMDCSA-N 438.598 0.849 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1690484775 DBYSUROFIZVRIT-OAHLLOKOSA-N 442.542 0.466 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1690666269 YLYIDMXGIBTPFZ-UHFFFAOYSA-N 443.508 0.726 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705565185 GWCXFFKGGRNSDP-UONOGXRCSA-N 436.563 0.871 30 10 ICEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705689623 SZFPFZMUUOSVQH-AWEZNQCLSA-N 446.309 0.320 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1705697790 NUWHQARRMCNIPV-LZWOXQAQSA-N 426.543 0.196 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1705925898 VTXIDZWMLBOBGP-HOTGVXAUSA-N 439.538 0.804 30 10 ICEE CCc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709092741 NVEHRCHFRZAARL-CZIZESTLSA-N 427.509 0.862 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCCCO)CC1 1722446044 KTIIGXGKZJITSZ-UHFFFAOYSA-N 431.566 0.760 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC1 1722575012 VTTRLFFIHYMNEG-ZDUSSCGKSA-N 434.588 0.182 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722728068 SYMQEXCDUZTFLL-SJORKVTESA-N 436.582 0.895 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1728777717 BERNUAVYQHSVFT-RBUKOAKNSA-N 439.538 0.220 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1731002775 IOMGUSQJCQRPQU-MGPWXQLLSA-N 434.522 0.380 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1731012236 CMIUIXQZRSVDAQ-UHFFFAOYSA-N 427.490 0.858 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)C1 1741987695 HGFWISRAOZVDHQ-FQEVSTJZSA-N 427.513 0.705 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCS(=O)(=O)CC1 1749680212 HCRZDCAULFEPIU-UHFFFAOYSA-N 433.534 0.957 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1 1749730510 GUFATTOPCVMZGQ-UHFFFAOYSA-N 425.536 0.484 30 10 ICEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1749751803 AHTWLXHADFWTNF-OAHLLOKOSA-N 434.522 0.876 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760396639 GYQJNEMIUWZDMJ-HNAYVOBHSA-N 428.555 0.954 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)C(C)C)CC3)CC2=O)CC1=O 1855890744 HHANFDUOXNWWRC-SJORKVTESA-N 425.551 0.846 30 10 ICEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870571450 WQMHFEOGPWGCBK-UHFFFAOYSA-N 446.533 0.909 30 10 ICEE N#Cc1ncccc1OC1CN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)C1 1891333352 UHSPMYLJEBFNHJ-CYBMUJFWSA-N 427.486 0.901 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2081007537 ACDMJVXKPLTAOK-OHQCYIMMSA-N 438.330 0.878 30 10 ICEE C[C@H]1OCC[C@H]1N(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483258891 AOHFNPOCDIKGID-NVXWUHKLSA-N 429.477 0.927 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 499716942 CEGXIGOQXVOADC-FQEVSTJZSA-N 448.589 0.675 30 10 ICEE Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n(C)c1=O 504696148 WIUVWMQBYXWAHD-UHFFFAOYSA-N 436.472 0.765 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](CC)C1 508922610 RJJIKVPJEIRUHJ-IAGOWNOFSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 524499241 SDDLATZWSYXPQT-UHFFFAOYSA-N 430.553 0.107 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC#N)CC(=O)OC 558121571 FLFUTNVRZOVDKS-UHFFFAOYSA-N 438.506 0.160 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729669390 NZWDYFCFLAQGED-UHFFFAOYSA-N 448.552 0.629 30 10 ICEE CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742177191 ZOLPGCPHJVWGGH-UHFFFAOYSA-N 441.579 0.837 30 10 ICEE C#CCN(C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O)C(C)C 1134183337 QUALRZJFAGKIAG-UHFFFAOYSA-N 437.500 0.925 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 1136331724 ITCMNZVNPGZWPG-HGOSOOBESA-N 437.518 0.631 30 10 ICEE Cn1ccnc1C(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nccn1C 1147854093 ZXXIYOUKPDIYAM-UHFFFAOYSA-N 441.517 0.878 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)c(=O)nc1O 1167527443 PWWLAUOJRGOBMR-UHFFFAOYSA-N 446.895 0.648 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1248375202 JVCGPOAXPBDHCS-SQGPQFPESA-N 427.486 0.239 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286607950 WKQJDIHAPXOCKB-UHFFFAOYSA-N 428.541 0.672 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1300308650 DKTOEMPMDRBSMF-GXTWGEPZSA-N 439.567 0.472 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300483801 MEJGZHHOYXPGHV-YESZJQIVSA-N 442.538 0.044 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300864143 ZDDOYTYKEJUNDC-JKSUJKDBSA-N 440.570 0.481 30 10 ICEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1301367039 JXDXKUQDNZYSLF-ZWKOTPCHSA-N 429.569 0.686 30 10 ICEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301459338 XZETUCMSVKMOCZ-IAGOWNOFSA-N 427.509 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1301568174 DBXLAICDBMBJME-BFHYXJOUSA-N 431.584 0.724 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 1302924389 LTQDRKOUJACQGG-HXUWFJFHSA-N 440.566 0.944 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1306652963 WNZHWCZSRBAFGT-HOTGVXAUSA-N 428.555 0.762 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358967797 SEQKCIDNKXLMDX-HZMVEIRTSA-N 444.529 0.613 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCC)CC1 1359291223 IPRHTUMFRUPZOI-UHFFFAOYSA-N 445.568 0.949 30 10 ICEE N#Cc1cn(CCNC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c(=O)nc1O 1470809555 DJGGDPNLUGIYOY-INIZCTEOSA-N 432.868 0.679 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)C1CCOCC1 1470868350 XYWYJAXISZUDQO-JZXOWHBKSA-N 428.555 0.096 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1473682133 ZCAZKDXELKYWCU-FZMZJTMJSA-N 445.501 0.605 30 10 ICEE CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504014329 QGPMATDLPQOBIW-XXJLXKPQSA-N 445.524 0.948 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1507706454 MATLHOKUNISAHI-QGZVFWFLSA-N 434.518 0.850 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1507709805 AVJSZJSDSXLLMK-UHFFFAOYSA-N 437.504 0.804 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521130409 VMFNDNWMGMFVNC-RDJZCZTQSA-N 436.451 0.947 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)nc3)CC2)cc1 1538446017 ZYNNTCGKLCRGGX-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1539179859 SNLGROHABNOMCE-INIZCTEOSA-N 433.490 0.457 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)C[C@@H](C)O1 1540761017 UDLNFZLRQSXHMX-IDSJHHPBSA-N 439.509 0.906 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1584536648 GTSHYEJYOKYELI-KBMXLJTQSA-N 437.518 0.929 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595759971 IECQMEBJIDEDNL-UHFFFAOYSA-N 440.570 0.176 30 10 ICEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1638598636 NJIODZGGONBGDE-HNNXBMFYSA-N 426.520 0.737 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 1643372412 KJCNEGKHEGAJHM-INIZCTEOSA-N 440.566 0.778 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sc(C)cc2Br)CC1 1656641596 FZPSMZKLVFVDKJ-UHFFFAOYSA-N 442.382 0.593 30 10 ICEE C=C(C)C[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1674219574 WJNCAINTJVGJCV-QGZVFWFLSA-N 440.566 0.773 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1690045010 DIMDTKDLZGQRAE-GOSISDBHSA-N 440.529 0.649 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690663374 UXGMMTQZOJULFB-GOSISDBHSA-N 428.493 0.597 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1690700661 VUNYBMCRRCQAQO-SJORKVTESA-N 440.566 0.893 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1692661633 FKGJVVDPQFLFBR-NVXWUHKLSA-N 433.538 0.987 30 10 ICEE CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1695903415 SFGJRSGZJMIOAN-ZCNNSNEGSA-N 447.584 0.758 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1706942226 MPNBUCRRLWUSFQ-HIFRSBDPSA-N 443.533 0.913 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711220749 LARSDMUAICVTCB-ZZEZOPTASA-N 440.508 0.568 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1722296735 UQPZBKNBTQMDOH-WBVHZDCISA-N 435.554 0.664 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCO[C@H]2CCOC2)CC1 1722446498 YCZUMVHPATWGHC-IBGZPJMESA-N 441.536 0.840 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1722476250 ZJBBUMJEWWXGLR-QFBILLFUSA-N 434.522 0.948 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722700907 YMQYTLQCOXXVCL-UHFFFAOYSA-N 438.536 0.950 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722713711 JDQPAMHDENHHMN-SJORKVTESA-N 440.566 0.893 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1726637010 FCHOKZDZAVOYRN-VLIAUNLRSA-N 444.517 0.033 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740623693 ZJSJAMPZYDCNQC-UAGQMJEPSA-N 434.566 0.339 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)CC1 1740696198 OCFUHFPGPMWBIC-DEXQXJORSA-N 439.607 0.237 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[C@@H]1NC(=O)NC1=O 1740736109 NAOMBRYBJMBOER-VCAMNPENSA-N 430.509 0.982 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740876489 SZGMRYACTWDLDE-KBXCAEBGSA-N 426.543 0.279 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)NCC)CCC1 1740899133 GXZDMQFVKDFCQA-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC)C1 1740963284 GITJHRQMAHUVID-AWEZNQCLSA-N 434.522 0.423 30 10 ICEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1741698668 GVPQBUNJDFIBHF-UHFFFAOYSA-N 432.488 0.998 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1=O 1748046653 BLCVPJOTPACLTC-VXKWHMMOSA-N 437.504 0.909 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750971471 PKISAPDNTGWHNH-QBHGPPCGSA-N 445.524 0.804 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2=O)CC1=O 1853910078 UDYSOQXIPLUAAZ-HNNXBMFYSA-N 433.486 0.016 30 10 ICEE CC1(C)C(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)CCN1CCOc1ccc(C#N)cc1 1854450575 KBZILGIFWCVAGE-UHFFFAOYSA-N 434.518 0.278 30 10 ICEE C[C@H]1C(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CCN1Cc1ccc(C#N)cc1F 1855022835 JPKZISPZFWEHJM-ZDUSSCGKSA-N 434.493 0.681 30 10 ICEE CC(=O)N1CCN(C(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1872679007 VROODGRGKNQNIF-UHFFFAOYSA-N 444.473 0.813 30 10 ICEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561150 HGZRQHNCXSOMHO-UHFFFAOYSA-N 439.520 0.590 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1903066791 KSFMJSAJZOFPNV-CYBMUJFWSA-N 428.486 0.206 30 10 ICEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286043568 VMURJRIBJDILJL-QZTJIDSGSA-N 438.502 0.898 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n1 788813161 JVUOTQALYJHRNR-UHFFFAOYSA-N 435.484 0.563 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCN1CCOCC1 838532332 CZZQPTIKHDPEAE-UHFFFAOYSA-N 444.900 0.651 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC=C 1300283436 MSYBUVXPRIJOOA-OAHLLOKOSA-N 430.534 0.956 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301223316 RJORAUXRMFTRFO-CVEARBPZSA-N 440.570 0.540 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1Cl 1462997861 LBYYQNSSYRMENM-TYILLQQXSA-N 432.889 0.961 30 10 ICEE COc1cc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1S(C)(=O)=O 1479588237 WABGWTKFBGUEAI-XAYKYTGQSA-N 441.531 0.739 30 10 ICEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1502128853 JVHRNSCRTLRDEY-FKQWUUPDSA-N 443.508 0.761 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1507616328 JARCDUBKFFZZJZ-MAUKXSAKSA-N 447.517 0.520 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508084021 FKOCTJULKCGYEF-QGZVFWFLSA-N 436.520 0.924 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1539246839 YBZDFMFDTYOTHK-UHFFFAOYSA-N 449.558 0.313 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1539462936 QDVMRKZULUJOJS-WOJBJXKFSA-N 443.596 0.828 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2COCCO2)CC1 1539467051 MBJLRNZGTQTMLY-QGZVFWFLSA-N 432.525 0.188 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539512424 CXXJWBFHEJOASD-QGZVFWFLSA-N 427.534 0.929 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1540108292 ICOGGXIOCNIQBP-GVDBMIGSSA-N 441.554 0.306 30 10 ICEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1583264293 VNDGFFLYSRVDFK-JCNLHEQBSA-N 425.532 0.651 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588034704 KSMNKNBPGGYBME-FXAWDEMLSA-N 448.549 0.523 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)s1 1596560930 AYPJOQDIUMDGGH-CYBMUJFWSA-N 435.593 0.685 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1=O 1619937687 SHCUUXFSXSPKLT-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE N#CCNC(=O)CNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1627010491 WUNRGRJGYLMKNI-UHFFFAOYSA-N 434.452 0.738 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1632624215 PPJSNICXYSTQAQ-KRWDZBQOSA-N 448.317 0.814 30 10 ICEE C=CC[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OCC 1632661049 RVSYMFRQPJQXDM-BIENJYKASA-N 430.523 0.892 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CCOC)C(=O)OC 1637199539 ANCOKWOCZIJSMD-GJZGRUSLSA-N 425.507 0.978 30 10 ICEE N#Cc1ccc(CN2CCCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)cc1 1637743821 PVBCDNHSOSZQCH-JOCHJYFZSA-N 427.505 0.403 30 10 ICEE C#CC1(O)CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1641976737 SCOCNDRZXFJRCU-UHFFFAOYSA-N 439.490 0.991 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)CC1 1650849203 XQWPSBQPPLLUEM-CHWSQXEVSA-N 436.481 0.004 30 10 ICEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1659967110 GWRJHIWACQVTEW-INIZCTEOSA-N 426.477 0.399 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCN(CC)CC2)CC1 1690125040 ZFWSVOPBNRGZMK-NRFANRHFSA-N 429.613 0.955 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1705552521 ZHYAWHLRUGVEHP-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566715 PQCMHWXFWJUEDV-MRXNPFEDSA-N 443.595 0.454 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705901841 XVSPISMZSSBRNY-GFCCVEGCSA-N 440.430 0.920 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705901935 ZZWKDLKMSZIWIS-GFCCVEGCSA-N 442.505 0.878 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712543294 LWDUMWNJSBLYCG-MNEFBYGVSA-N 441.554 0.682 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722362815 WNHWCLCDUUQXSO-HZPDHXFCSA-N 432.506 0.167 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722536592 GAYQFMQAYHODIB-MRXNPFEDSA-N 437.566 0.879 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722697247 YASZMUBFLFGKTQ-UHFFFAOYSA-N 426.481 0.106 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1722698864 NUVDNQIQOTWHJH-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1nncn1C 1740950864 KLVGDKVBLHRSNY-HNNXBMFYSA-N 429.529 0.969 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1740957104 BHNGOFCEEZQNGN-UHFFFAOYSA-N 428.541 0.529 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1748199912 NRGDQVAXPQPPOG-WATITHJCSA-N 443.508 0.271 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1760188682 QHUQMSZIROWYKW-HNNXBMFYSA-N 429.568 0.112 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1771305109 SZSBLXKZSRZGAZ-HCXYKTFWSA-N 434.541 0.699 30 10 ICEE Cc1ccccc1C(=O)NCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890260040 YYHQCMYAHCEKAB-UHFFFAOYSA-N 426.561 0.983 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](O)C1 2255627118 ODKPEXVCAIRTFI-JSGCOSHPSA-N 436.318 0.809 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2267263335 DVTFRXQYIBDTAN-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE CC(C)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(C(=O)[C@@H](O)CO)C1 208085911 GOIHKEROJXTYLV-SJORKVTESA-N 434.346 0.335 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508828122 UCQLESFPRNDGDX-LSDHHAIUSA-N 426.543 0.150 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 511084689 DOSDQOPOQPYSTM-UHFFFAOYSA-N 443.488 0.528 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccccc2C#N)c1=O 512721559 WHVXZOZATDMWKE-UHFFFAOYSA-N 448.508 0.253 30 10 ICEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 513042954 VZRAFQIJTKMNTI-GOSISDBHSA-N 441.513 0.770 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 514420266 YGMLAWZMWVMGIQ-PZJWPPBQSA-N 432.613 0.744 30 10 ICEE COC[C@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 532903512 CEOYTEGWLNXBIM-HNNXBMFYSA-N 432.296 0.847 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 669816743 YZYHXOIZJMIXHH-PMPSAXMXSA-N 427.527 0.181 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ncn(C)n2)C1=O 768418554 UNJGLCXGTVWUCE-MRXNPFEDSA-N 440.533 0.886 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 837799514 HWONSTDPISUYDO-INIZCTEOSA-N 443.573 0.714 30 10 ICEE C=CCOC[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1139176267 UIXDPQQJKZKIHP-CABCVRRESA-N 427.498 0.610 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286509343 OZNZPTSBWOTTCU-DLBZAZTESA-N 441.623 0.704 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1300409888 KTIHTYPHHFAVLK-SQNIBIBYSA-N 437.566 0.887 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300499027 OSAMGOIYNSUDIY-DJPFJPOOSA-N 445.545 0.431 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1300577730 AAUKSUOMPPTXQH-OAHLLOKOSA-N 445.492 0.703 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1301520321 WLSQZQHFBUUWES-OAQYLSRUSA-N 448.524 0.700 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301578724 GNUWLWMRTZKKDV-KRWDZBQOSA-N 434.522 0.282 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1302311686 OWXNATQYFCPJBC-MANSERQUSA-N 434.541 0.578 30 10 ICEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1302574529 IULASUCPTDVGIQ-SJLPKXTDSA-N 435.502 0.653 30 10 ICEE C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](c3cc(Br)ccc3OC)C2=O)CC1 1307307553 CGYNODHWCCQVIX-KRWDZBQOSA-N 449.305 0.828 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NC(C)C)CC1 1359032217 GQBBTTJMCAMMMH-UHFFFAOYSA-N 434.508 0.201 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(F)(F)CO2)CC1 1359044844 PVUCJJLXZNKMRK-CABCVRRESA-N 436.463 0.619 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359299300 BKQCHNMUPUCMES-HOTGVXAUSA-N 431.541 0.664 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)cc2N)CC1 1443355204 IKVSCJOWANZVKM-UHFFFAOYSA-N 440.285 0.771 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1 1455115119 MDKRFGVQNREHKF-UHFFFAOYSA-N 438.460 0.770 30 10 ICEE C#CC1(O)CN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1456807637 CNAJJQHNJWOKFS-OAHLLOKOSA-N 428.514 0.751 30 10 ICEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1502545403 YLJYABATIVZTBN-KRWDZBQOSA-N 437.504 0.779 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507626132 MXSTXKHCINHFHR-BEFAXECRSA-N 426.539 0.328 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508091057 RFHNZLXPNJYHGJ-CVEARBPZSA-N 440.570 0.240 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1539072351 PTXDCAYLNBLQDL-JKSUJKDBSA-N 439.538 0.414 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539215427 BQFYHRMGPJVOLS-QGZVFWFLSA-N 446.577 0.747 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccco2)CC1 1539459920 SJTIYYWESLAYBR-UHFFFAOYSA-N 436.520 0.918 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 1545534816 STIMHLXFOQZXOX-UHFFFAOYSA-N 426.520 0.030 30 10 ICEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1558806010 APXCZRRMLLUNDJ-JLTOFOAXSA-N 433.465 0.618 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 1616734963 MOUWYADRFNFQNA-UHFFFAOYSA-N 439.534 0.682 30 10 ICEE COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1619041450 KSNHMXZLXGQCCE-HNNXBMFYSA-N 436.494 0.349 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690485019 JKTCFNRTHRRKJY-ULQDDVLXSA-N 443.570 0.817 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1705573259 CPGJLBMVUQJUDH-INIZCTEOSA-N 442.545 0.563 30 10 ICEE CNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1711394503 GIQBHAJAWUMKLB-OAHLLOKOSA-N 431.884 0.726 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722690125 FWOJXHCMVWRFCW-ILXRZTDVSA-N 427.575 0.109 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cncn2)C1 1740590093 FJANXRVKWXVPCR-IRXDYDNUSA-N 448.553 0.457 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN2CCCO)CC1 1740701098 UNWUSUZKJWLOHR-ACRUOGEOSA-N 446.596 0.604 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2CCCO)CC1 1740701099 UNWUSUZKJWLOHR-HBMCJLEFSA-N 446.596 0.604 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1749669722 MYAPJUDONWFYDC-IAGOWNOFSA-N 438.598 0.651 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1749736755 OFRDRGHECOYFKT-MRXNPFEDSA-N 433.534 0.790 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1760155054 OQOXSTLHAXANPQ-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760165406 RESKGBMJHKKISI-QFBILLFUSA-N 425.555 0.670 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1(=O)=O 1760464620 LMONLYJMUQUDDE-CABCVRRESA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1760521835 FGABTTBBJIHFBN-HOTGVXAUSA-N 441.554 0.114 30 10 ICEE C=CCN1C[C@H](C(=O)N2C(=O)CCN([C@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1853619340 BHNRUDDCMPTSKA-CVEARBPZSA-N 431.514 0.978 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(OCc2ccccc2)C1 2247876272 MHPIBUASOFDZDK-UHFFFAOYSA-N 434.327 0.704 30 10 ICEE C#CCCN1C(=O)[C@@H]2[C@H](c3cc(Cl)ccc3[N+](=O)[O-])N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248205218 ANLNYBQGNBQXNH-XLPNERPQSA-N 449.803 0.815 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 495791032 YBFGCDFREQAKMX-AEFFLSMTSA-N 448.545 0.855 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 603787678 ZIIUQINNWBKGMA-UHFFFAOYSA-N 425.441 0.993 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C2CC2)CC1 729668634 BGGWFKBZERVGJZ-UHFFFAOYSA-N 448.552 0.560 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@H]1CCCO1 767952733 KFDBTUZFVZKGEL-QGZVFWFLSA-N 445.541 0.954 30 10 ICEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 816290899 VRUOIFJQQGWQSK-UHFFFAOYSA-N 439.925 0.720 30 10 ICEE CCOC(=O)C[C@H](CO)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 820053815 DZFOBOHDNSEESZ-HIFRSBDPSA-N 425.507 0.570 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 837850010 RKCZCCIHKQZAFA-INIZCTEOSA-N 427.530 0.384 30 10 ICEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCOCC2)cc1 1116123605 BWEOLDSPLBKMJG-MRCUWXFGSA-N 428.445 0.921 30 10 ICEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1128015590 INGNMGCTHKZEIS-KRWDZBQOSA-N 427.505 0.979 30 10 ICEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCC[C@H]1C#N 1196831712 MXKQMAFETVDTAG-WMZOPIPTSA-N 448.545 0.915 30 10 ICEE C#CCN(C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1205410695 GKJZSQBTIMUADE-CQSZACIVSA-N 429.520 0.399 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)CC2)cc1 1253814741 XESNESKUBGASFD-GOSISDBHSA-N 431.518 0.728 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1286712475 ZWLSQJDHDBYMGH-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1286792894 KXDVTBTZNLWDKA-AOMKIAJQSA-N 446.552 0.727 30 10 ICEE CO[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1299816890 FNMYNRORRHUDED-IFXJQAMLSA-N 432.506 0.804 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300480222 ZYSBFGDPKPXONS-OXQOHEQNSA-N 439.582 0.984 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300505823 JMGXIPDHECCIIF-OAHLLOKOSA-N 426.443 0.752 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300971808 GIQXHYZVZCNIPT-FCEWJHQRSA-N 443.570 0.865 30 10 ICEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c(=O)n1C 1304362612 GBDVBWCGOPSDMJ-UHFFFAOYSA-N 433.472 0.720 30 10 ICEE N#Cc1ccc(Br)cc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1306986215 DVLBRXDUBDCCIG-CQSZACIVSA-N 448.364 0.960 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1=O 1314921117 UBLAWNMVWNYVJE-FQEVSTJZSA-N 428.518 0.776 30 10 ICEE COC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315905277 VONVEKXOMDMADA-OHTQGHCMSA-N 431.497 0.415 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1358979829 YXRBXFFKPNTIHN-IBGZPJMESA-N 448.593 0.560 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCn2nc(C)nc2C1 1359334063 RWMHGFFLOLWWTH-UHFFFAOYSA-N 428.522 0.785 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CCC#N)CCN1CCOCC1 1442498312 BVUGHSSWBTZCSS-INIZCTEOSA-N 446.570 0.389 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C 1469342862 PFESFYXFVSAATN-RDJZCZTQSA-N 449.577 0.718 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1503832516 ZSRHGSYINRYSEZ-IBGZPJMESA-N 445.505 0.397 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508071349 DBWBRODCACHZLV-INIZCTEOSA-N 425.449 0.967 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508090115 LXHVEOAXNHIOAI-UONOGXRCSA-N 444.458 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1508139519 BQIRTDDRVZWFMW-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510067795 XYMGFECONGMSQJ-KBPBESRZSA-N 445.549 0.665 30 10 ICEE CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516872925 MFKSMCMWWYMPCW-WJOKGBTCSA-N 443.533 0.704 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1540201712 YWPDJZMQALANCR-HNNXBMFYSA-N 425.555 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540901608 KGUVBHWVBHWKSG-INIZCTEOSA-N 435.554 0.774 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1555662730 GJBYNWGEOMIYDR-NZSAHSFTSA-N 434.541 0.984 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588055582 XVUSAWCVFKFEDA-HZPDHXFCSA-N 440.591 0.997 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588055788 ZFHPVXWCGJODML-CVEARBPZSA-N 433.538 0.459 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1594497392 GLQKMBPPIWVTDV-OAHLLOKOSA-N 445.611 0.864 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1594732506 FKFNLIZRPZCGGI-HUUCEWRRSA-N 426.543 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595799100 XLVCBOMEQGXUOU-CVEARBPZSA-N 437.566 0.878 30 10 ICEE CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCN(C(=O)CC#N)CC1 1618011415 LEFHDUHKGDQIKZ-UHFFFAOYSA-N 427.548 0.702 30 10 ICEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 1620623101 LGFFNOGGWFVPCC-SFHVURJKSA-N 437.478 0.042 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(N3CCOC3=O)ccc2F)CC1 1673704606 ZRHSIGOOIFRVSQ-UHFFFAOYSA-N 425.442 0.399 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689987735 BLUHKDAXADIYKA-INIZCTEOSA-N 433.538 0.222 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCSC2)CC1 1690112435 XWRYEAGNWCZREX-HOTGVXAUSA-N 426.612 0.787 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1690464816 KXQVTUJRKNBNFD-CVEARBPZSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1690672435 RPMXKVRZYQXOEI-HNNXBMFYSA-N 438.529 0.971 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1698443677 VVBNSMISPUDOPT-BSXFFOKHSA-N 442.517 0.478 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1698484126 FJBRDATVDXJHEB-UHFFFAOYSA-N 445.545 0.965 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCOC2)CC1 1705650875 BDTVHFPEYMLHHD-JOCHJYFZSA-N 441.536 0.257 30 10 ICEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705823613 PPJIVWJSXVHDJG-MRXNPFEDSA-N 440.504 0.979 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1712682240 AUGIHTXHMAPJGP-BOBLUTPJSA-N 427.465 0.650 30 10 ICEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1712696427 AUBVAFQUEVQMJL-IRXDYDNUSA-N 428.518 0.966 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1722295721 LFNAVLCQAXKNCP-KSZLIROESA-N 438.598 0.943 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC(=O)N1C 1726672007 PLSIZAYQRHAVMA-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE CCS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1729218607 BWYHMNGEVRMKLD-IBGZPJMESA-N 437.570 0.860 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740963618 QZLKDNRNUQMNSG-LJQANCHMSA-N 442.520 0.809 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1748929871 RJBFMQUFIVOGAS-ULQDDVLXSA-N 425.555 0.886 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1760174167 DWOMLLVTUZIVPT-ABSDTBQOSA-N 437.566 0.886 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760190180 TWDXRYGIWPMYRM-KRWDZBQOSA-N 428.522 0.510 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760554132 SHBBOZUKWVZJLJ-KRWDZBQOSA-N 447.565 0.871 30 10 ICEE Cc1nn(CC(=O)N2CCN(c3ccccc3C#N)CC2)c(C)c1S(=O)(=O)N(C)C 1852885030 AQKHBKOWEZWOCV-UHFFFAOYSA-N 430.534 0.971 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O 1853169433 QEJADAOIKUIKOR-UHFFFAOYSA-N 434.905 0.970 30 10 ICEE C=CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 410073495 DZFLBWLOIWVKTH-HNNXBMFYSA-N 436.534 0.580 30 10 ICEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 446140986 UFLNVTLNNOCJEG-LRDDRELGSA-N 448.530 0.499 30 10 ICEE CCc1c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513853968 HJMVSSMQZCVLJB-UHFFFAOYSA-N 433.472 0.424 30 10 ICEE C[C@H](NC(=O)c1ccccc1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 681341383 YKTBITNRUXNRMA-HDICACEKSA-N 434.496 0.859 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cn1 732561281 KHEYFVNAUQZELH-UHFFFAOYSA-N 429.546 0.187 30 10 ICEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706066 DFQZVCBXWMJZPM-QGZVFWFLSA-N 441.488 0.305 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CCN3CCOCC3)c2=O)cn1 772280586 WRUINQMYIKGUDY-INIZCTEOSA-N 441.557 0.657 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(CCCCCC)c(=O)nc1O 772649708 OQTUTELQMOLAAT-CQSZACIVSA-N 431.536 0.340 30 10 ICEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cn1 793468749 MOEVDMUYFRANEO-UHFFFAOYSA-N 446.492 0.490 30 10 ICEE C#CCCS(=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 810785914 TYNSYQQHECXELP-ZSXPZZPQSA-N 438.505 0.935 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)ccc1F 1141041038 FTTUGEAEBREGAO-CYBMUJFWSA-N 431.486 0.905 30 10 ICEE C=C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1148554363 VJHGEGZNKWEFME-BXUZGUMPSA-N 433.324 0.645 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286389106 FVDRVKKWXAYUHJ-JXFKEZNVSA-N 444.517 0.806 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1286411067 YKWVOSBRAVUXOV-ZWOKBUDYSA-N 435.550 0.235 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1286788350 VDUPESHPBKESQZ-QGZVFWFLSA-N 434.541 0.801 30 10 ICEE C#CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1300776212 GPVSPKCQSPSCNK-CRAIPNDOSA-N 428.580 0.920 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301498321 MUJWEQQAKQGQML-JTBPQFFMSA-N 430.534 0.905 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1 1301587019 QNJYBBDAINYXPG-CQSZACIVSA-N 425.511 0.001 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C[C@@H]1CCCO1 1321237101 WRVXPWPZZZLKTC-SFHVURJKSA-N 449.536 0.738 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358960588 HVFNCATVETUPJN-BQJIDLTASA-N 445.545 0.897 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1359332784 HBNNYMXBSLYRRS-QAPCUYQASA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1359335138 BXIZKFDPHVMRQK-UHFFFAOYSA-N 426.587 0.387 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C 1469342866 PFESFYXFVSAATN-WBVHZDCISA-N 449.577 0.718 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1503832518 ZSRHGSYINRYSEZ-LJQANCHMSA-N 445.505 0.397 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507752354 ZGYIJJSBTWJVQN-HUUCEWRRSA-N 425.580 0.509 30 10 ICEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCOCC1 1508041928 WCDKRWJSTRLBMZ-UHFFFAOYSA-N 446.508 0.927 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1508075401 XZTOVQQBHXTJTQ-UHFFFAOYSA-N 434.522 0.334 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 1508280443 VELGGOOCWISQKC-OAHLLOKOSA-N 442.524 0.766 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1539178889 LRHAWKBFCXEDFU-APWZRJJASA-N 427.571 0.868 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1539415957 IQSJWOXULZIHJW-SFHVURJKSA-N 445.545 0.674 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(C)(=O)=O)CC1 1539470749 XYMSYKCJSUHIAQ-UHFFFAOYSA-N 445.545 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(N)=O)c2)CC1 1539477286 LJJQMVAKUROFDL-SFHVURJKSA-N 449.515 0.342 30 10 ICEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1539519091 ATOSRNYQJBPISX-UHFFFAOYSA-N 427.578 0.888 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876089 HCGWZWYHSYRVTP-GCJKJVERSA-N 448.568 0.926 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588065181 VQALUJLZASYJTC-SFHVURJKSA-N 444.561 0.807 30 10 ICEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1619737874 VNTLAEVJPJCBEH-CRAIPNDOSA-N 448.549 0.996 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1620018378 DFLGNKQNUUQERV-HGHGUNKESA-N 433.557 0.245 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 1632960486 HOLCDFCFMPXGMQ-LJQANCHMSA-N 432.546 0.459 30 10 ICEE O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1636044759 ZVEUQPUIYSLQTO-CYBMUJFWSA-N 430.490 0.716 30 10 ICEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1659928905 KGRTUTLLDBHXRO-UHFFFAOYSA-N 433.574 0.987 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1689986463 QNDIJZZGSXWYTN-OAHLLOKOSA-N 428.522 0.580 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690144419 YRBGNVAWOKGQJS-QGZVFWFLSA-N 434.566 0.545 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1693546920 GOKYFSVGKPOPAL-XOBRGWDASA-N 444.517 0.033 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1698306515 HOKNXJDJHKGCFE-GOSISDBHSA-N 441.517 0.963 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705569558 HTXOIAVIUBYNLM-UWJYYQICSA-N 442.545 0.369 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705637607 DRYXUOXNAASYBA-SFHVURJKSA-N 446.506 0.846 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705928340 PBWXAMBUTVLRGF-IAGOWNOFSA-N 437.566 0.978 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722358294 FVJXHMKUTLADSE-IXDOHACOSA-N 437.566 0.716 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1722366783 KJSQROJYUVRPHS-ZWKOTPCHSA-N 449.577 0.715 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1722732246 WTAZKOWQMQAPNU-QAPCUYQASA-N 425.511 0.260 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740622353 XTCJYLSVRDVKOT-GOSISDBHSA-N 442.549 0.901 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740964687 GSHBDRAYMQWVQH-NRFANRHFSA-N 434.541 0.680 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748667155 OCNMKGCGHNSRHY-LSDHHAIUSA-N 427.509 0.942 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N(C)C 1748790206 GDBSTJKYLPKZKF-DOTOQJQBSA-N 436.538 0.576 30 10 ICEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750262575 DPMISNUMJRVJQG-CZUORRHYSA-N 444.558 0.949 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1760187618 KLWXOMCLTFZJNO-SJORKVTESA-N 426.539 0.462 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760188500 AXPSGCSCHPDTNK-XLIONFOSSA-N 449.602 0.624 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1760234096 TWYGVEBPCCXLSQ-QZTJIDSGSA-N 438.598 0.802 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 1760440332 HJMCKAIWVJJQBR-KRWDZBQOSA-N 442.586 0.346 30 10 ICEE CN1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267091099 OYLLNEAMCKZLBJ-CQSZACIVSA-N 449.361 0.990 30 10 ICEE CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 96263139 KIZYVOKJSGCAHJ-QGZVFWFLSA-N 429.502 0.922 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)CC1 108936076 GIYGTOHKCQDESP-UHFFFAOYSA-N 444.561 0.889 30 10 ICEE N#Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 461191868 FLRWHCFFUANCHC-UHFFFAOYSA-N 430.486 0.851 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)CC1 522534669 POTWAIQWRJRUEM-UHFFFAOYSA-N 425.482 0.248 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cs1 523305658 SMYBZNGGVCZYSH-UHFFFAOYSA-N 444.582 0.879 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)CC1 537837095 NVTHQXIOJMOLON-UHFFFAOYSA-N 441.506 0.099 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c(Cl)c1 589157684 KYBIQUWXZAMNMM-UHFFFAOYSA-N 431.901 0.929 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603798494 MBSMSHMECNJGJG-QGZVFWFLSA-N 425.510 0.451 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)s1 603798576 MVMOCODZQRNOCR-HNNXBMFYSA-N 445.566 0.821 30 10 ICEE Cc1cc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 619736711 DBTOAPLQCAYJBY-QGZVFWFLSA-N 443.533 0.579 30 10 ICEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)CC2 758525210 JWNVXRNLASZCAY-DGCLKSJQSA-N 444.435 0.875 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783942585 KCRYUZLWJKSFBY-UHFFFAOYSA-N 441.538 0.585 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2nnc(CO)c2C1 816682943 OENNKTSMRBWPQS-CQSZACIVSA-N 432.506 0.410 30 10 ICEE OC[C@H]1O[C@H](O)[C@H](/N=C/c2cc(Br)cc(Br)c2O)[C@@H](O)[C@@H]1O 1088671019 AJCJVHXXQZKPHR-NWPPZYJKSA-N 441.072 0.136 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1128436095 ITKMQEXDRKQJGF-UHFFFAOYSA-N 425.532 0.705 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286393103 DLCDRLCHPMZXTR-FGTMMUONSA-N 449.577 0.578 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1286460342 MATLHOKUNISAHI-KRWDZBQOSA-N 434.518 0.850 30 10 ICEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1287218166 NUVMCGGKIGSKPV-UHFFFAOYSA-N 432.554 0.886 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1299300003 AFKDOWSRSYKOAP-RHSMWYFYSA-N 434.522 0.606 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1300521063 RVXACAWWSKYQSS-UHFFFAOYSA-N 436.501 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1300718837 GTWHUYFHRHWROB-UHFFFAOYSA-N 440.529 0.827 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 1302923675 CVBOXGXUCNYFJK-SFHVURJKSA-N 442.900 0.974 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303034005 BEHYZLWGCKVCJG-MBOBHEEDSA-N 449.515 0.901 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1303805284 DCGKOFIFNFDZAE-OLZOCXBDSA-N 432.572 0.451 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1313497565 GVWZLTNBNQBHPS-FUHWJXTLSA-N 437.504 0.970 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1358996248 XZOHIUCADIGSLE-LJQANCHMSA-N 433.559 0.646 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359300313 YYMPPSZLAHWDNL-INIZCTEOSA-N 428.497 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359334087 SEJOCDDJNXPVIV-QGZVFWFLSA-N 430.534 0.676 30 10 ICEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCC1 1456203461 ALRBHYKISVOSSD-KXBFYZLASA-N 433.534 0.476 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 1464370318 STXHXLNJRNNURG-UHFFFAOYSA-N 446.913 0.801 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 1468894328 JTKXILIXELEXSV-HNNXBMFYSA-N 435.506 0.499 30 10 ICEE COC(=O)[C@H](Cc1cncs1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471712371 XLFGEZHXVWCBKK-AWEZNQCLSA-N 436.515 0.862 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1507752820 GTZYQZAASBTLNX-UHFFFAOYSA-N 427.534 0.423 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)CC1 1507881699 PXNMKLUAOJHXJD-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1)C1CC1 1507993530 RRFQDBGOVORMHU-INIZCTEOSA-N 436.542 0.448 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508070766 CNGRPLVHLGGEOT-HUUCEWRRSA-N 429.481 0.468 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508080874 FEHASNYOSIKNEY-UHFFFAOYSA-N 441.467 0.907 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccs2)C1 1519561713 DFYVJTYPVNAQPY-UKRRQHHQSA-N 438.535 0.450 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219537 DGTFECVACHWDKR-MSOLQXFVSA-N 448.570 0.855 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1539220815 LYXXMMQTSSDALP-CVEARBPZSA-N 437.566 0.571 30 10 ICEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1547706346 KWMBXYACMAJIBR-HAGHYFMRSA-N 447.584 0.757 30 10 ICEE CCOc1ccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OCC 1558643555 YWDJIXSBWZYACB-MGPUTAFESA-N 435.502 0.611 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1586526578 FEFODKOTZLRCHX-ZACQAIPSSA-N 435.502 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC)CC1 1588908869 XTHWBEUKBTXAOA-UHFFFAOYSA-N 449.519 0.923 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1595555844 JASYNSXAGJSYSV-UHFFFAOYSA-N 448.549 0.261 30 10 ICEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 1646096150 RKMNZKAONHGBKI-HOTGVXAUSA-N 444.517 0.522 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N2CCOCC2)CCSC1 1690025550 VUENHPXWOYXADS-QFIPXVFZSA-N 442.589 0.681 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2COC)CC1 1690112450 YCULCDAESLCWSN-KRWDZBQOSA-N 446.577 0.838 30 10 ICEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N1CCOCC1 1690588543 ZPQNZGHHNWAEQT-UHFFFAOYSA-N 435.492 0.958 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705599520 ZZIHNDZUHVOBPR-JKSUJKDBSA-N 425.580 0.825 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1712879557 FHHFNWRSAGRLLQ-CQSZACIVSA-N 431.403 0.839 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722367920 NPCJTUKUMVADAW-ROUUACIJSA-N 448.593 0.588 30 10 ICEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1722632968 BCWIRCXFCNAXQJ-LJQANCHMSA-N 428.555 0.881 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1Cc1ccc(C#N)o1 1723953445 DVCDNDWTNAXBHY-STQMWFEESA-N 433.494 0.212 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740616217 WFFJUBSZKJZVLC-QGZVFWFLSA-N 445.549 0.346 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1740628219 ONKOPHDQRZTWEB-OXJNMPFZSA-N 435.550 0.452 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1740717310 OSXGGDDRCWQZMB-QGZVFWFLSA-N 441.623 0.705 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748814982 MHSZCSWWCPRPIV-HOTGVXAUSA-N 431.522 0.061 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748819895 UGHUSQPTFYSXAE-SFHVURJKSA-N 444.561 0.805 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)CC)CC1 1748979370 YDNUMGUGHFGXQD-IBGZPJMESA-N 425.555 0.120 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749297963 MSRIUCFTNCOMJQ-OAHLLOKOSA-N 435.510 0.493 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749655101 CTATZQZUBLNWOP-KRWDZBQOSA-N 444.492 0.216 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1749682429 UCFJLYCHGKCDPX-YVHKJVDXSA-N 446.552 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749740208 AVWKCEHXPIGZDU-QZTJIDSGSA-N 439.582 0.889 30 10 ICEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760156905 XDEBCSYTGVGXMK-GOSISDBHSA-N 436.516 0.632 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1760248712 CUDDFWYHESZOGC-UGKGYDQZSA-N 427.505 0.943 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)CC1 1760261037 JJFBHIVCHNLBRM-OAHLLOKOSA-N 427.534 0.303 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760328218 SCMIGAOPCASHSX-VQIMIIECSA-N 446.552 0.723 30 10 ICEE CN1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1769072846 KKEFJNGTDYENTG-FMQUCBEESA-N 436.476 0.069 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2255868321 NCTXHPHRZXNURI-LJQANCHMSA-N 439.322 0.120 30 10 ICEE C#CCCN1CCC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286041440 VBPZYMZBANLPGA-ROUUACIJSA-N 437.518 0.773 30 10 ICEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409852203 ZQTYLXHQQOPLBX-GFCCVEGCSA-N 438.897 0.906 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 550467597 XMUHTROUKMONMU-UHFFFAOYSA-N 433.436 0.869 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 558918029 GSMOHINUSCIQRM-CQSZACIVSA-N 440.547 0.252 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)CC1 728531450 JLYULCBRFCFOKM-HZPDHXFCSA-N 442.516 0.806 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CCN1C1CC1 732706450 KCESUCANWVSJEK-LJQANCHMSA-N 441.557 0.942 30 10 ICEE C[C@H]1COCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 769271559 WLIYNOGUHWDPOX-DOTOQJQBSA-N 435.502 0.607 30 10 ICEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2nnnn2C)C1=O 771539153 BMCFGILTNSRGKQ-MRXNPFEDSA-N 444.565 0.842 30 10 ICEE Cn1cc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(=O)n(C)c1=O 916180673 VQVXOZTXYKHJBX-XQRVVYSFSA-N 442.375 0.493 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1132451362 CKUJECUKNSCKGA-UHFFFAOYSA-N 429.882 0.890 30 10 ICEE N#Cc1cn(CCC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c(=O)nc1O 1180248495 IWKHVBMVTXYEQE-IAQYHMDHSA-N 434.396 0.179 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1286299097 SEBNQXMGZWHBQZ-IRXDYDNUSA-N 444.561 0.918 30 10 ICEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286451854 DILLLUMZGZOZIJ-IKGGRYGDSA-N 425.555 0.743 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1292890106 UZRJSZILAJAUGR-UHFFFAOYSA-N 446.309 0.322 30 10 ICEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1=O 1298886647 DGNDTLILTGIRSJ-UHFFFAOYSA-N 428.518 0.920 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CCO1 1299137478 HRAQZDATOIZDQF-SFHVURJKSA-N 427.509 0.346 30 10 ICEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300949077 PJECVARPFLETGU-OAHLLOKOSA-N 430.513 0.562 30 10 ICEE CN(C)CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1301746235 HMJJMCLRZXGEAU-UHFFFAOYSA-N 434.562 0.874 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 1320028367 UATMGYNEDFTDHR-OAHLLOKOSA-N 435.509 0.399 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1358889443 BTWYCCMFJGEUAF-TWMKSMIVSA-N 425.555 0.742 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1358929854 JIQWIZJFSBPVRP-QGZVFWFLSA-N 438.554 0.083 30 10 ICEE C[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCN(c2ccccc2)CC1 1467640553 GWUYUIAVWOSNPS-MRXNPFEDSA-N 425.493 0.330 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1470032690 JVCGPOAXPBDHCS-QKLQHJQFSA-N 427.486 0.239 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1)C1CC1 1507993061 NPBUKCQOWONJDB-IAGOWNOFSA-N 441.554 0.571 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1539178133 DZJXJFHLRJHAGB-SFHVURJKSA-N 449.533 0.746 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCn2ccnc2C)CC1 1539431799 WLSIRSGZMQRXOX-KRWDZBQOSA-N 448.597 0.629 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1594813157 PNVCZQIZEXXMJH-ULQDDVLXSA-N 441.554 0.571 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602752 PYIZHLISEGFIHC-FQEVSTJZSA-N 436.513 0.509 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC#C[C@H]1CCCCO1 1606801022 BKQGIUNULNWQDV-SJLPKXTDSA-N 436.530 0.917 30 10 ICEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1642712516 FKQGJXARLPWCKM-ZDUSSCGKSA-N 431.518 0.986 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]12 1643861698 OMQNHYZJOYJHIU-LHHMISFZSA-N 438.575 0.201 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 1650839765 VUEMVVAWSOPSQE-UHFFFAOYSA-N 428.555 0.070 30 10 ICEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1658716745 RGKCSMKKYZLAJB-MSOLQXFVSA-N 438.506 0.751 30 10 ICEE C#CC1(O)CN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1660508061 OYRAYQIZUMCCFZ-PXNMLYILSA-N 445.522 0.413 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 1681023122 FSYZSUBTVCAXKJ-UHFFFAOYSA-N 449.577 0.454 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)cc2OC)CC1 1681852833 WWLSHQGPZLIQHB-UHFFFAOYSA-N 445.339 0.753 30 10 ICEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)[C@H]1CCS(=O)(=O)C1 1682496712 GOISYCYMORNAGU-JKSUJKDBSA-N 429.539 0.844 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1689930797 ZMYQPGAOEZHDCO-WBVHZDCISA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689986385 OLUMAZFAKSTOMT-NVXWUHKLSA-N 449.558 0.402 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690136762 JFPLIIQHECZHDC-HXUWFJFHSA-N 437.566 0.091 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1705494984 JAWPRBCBTIWFJJ-CVEARBPZSA-N 426.587 0.657 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705633206 LWFYRZDFGGMKBW-RCCFBDPRSA-N 438.598 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NC)CC1 1705650838 ZXYQQQVDOQKPGB-UHFFFAOYSA-N 429.550 0.736 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1705932270 AGEZLMCZVFJYEV-FQEVSTJZSA-N 447.517 0.976 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722370090 LRMSBZMPMGYCRS-BZSNNMDCSA-N 448.549 0.411 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1722477071 ANICLWANCPUNJG-LLVKDONJSA-N 449.375 0.889 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)C1 1722712766 ZBSFMUDGPMWZET-SFHVURJKSA-N 426.525 0.681 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1727658288 DFIXPHYUCCTCEI-VGOFRKELSA-N 437.504 0.922 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)c1ccccc1 1740599771 FIGOONYXICWTDB-OAHLLOKOSA-N 439.563 0.822 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(N)=O)c2)CC1 1740704958 YGRCPFDKZCTTSN-UHFFFAOYSA-N 446.515 0.792 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740950941 NIGIGNDYDWFKNM-MRXNPFEDSA-N 425.493 0.869 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760252753 VIRHQTMTEDHYNR-DLBZAZTESA-N 425.493 0.221 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCOC)nc1C 1872649172 MVVIEXZWPGGTGD-UHFFFAOYSA-N 439.450 0.500 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628097 CZAACNBEAKMZFF-KBPBESRZSA-N 436.318 0.809 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 27903199 QJIOFFJMSXRQPW-FQEVSTJZSA-N 443.592 0.443 30 10 ICEE CCCOc1ccccc1C=NNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 254301558 SSSPWAWBWMVYGZ-PSFFPDNBSA-N 443.464 0.255 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 508913749 QGWDSVLOFIKIBE-VKJFTORMSA-N 427.527 0.181 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 514406926 NNFCUASXQIDIQO-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE CCc1onc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 535413157 WDGMYAAGRBVMNP-UHFFFAOYSA-N 431.474 0.889 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 603797171 BHUJPLJTWLUGCR-QGZVFWFLSA-N 442.541 0.530 30 10 ICEE C#CCN(C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 798118254 LCJWQECZYLDUCV-HNNXBMFYSA-N 431.511 0.278 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1125953596 ILAPOCHAHSWVBO-AWEZNQCLSA-N 432.545 0.365 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286770429 KNRATSLCYXCNIP-MRXNPFEDSA-N 445.549 0.937 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1300479396 NPQCXRUFQALVCY-KRWDZBQOSA-N 437.566 0.958 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Br)cc(OC)c2)CC1 1313267623 QEEZHKWVQWAMOD-UHFFFAOYSA-N 445.339 0.753 30 10 ICEE NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)C1 1318923588 FRKYJNTVCKZTFH-NKWDDMGQSA-N 439.516 0.917 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960309 BJEXPSWEJDECQB-QZTJIDSGSA-N 446.577 0.868 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1358964910 JYDQXTFMYBQGEH-KRWDZBQOSA-N 443.508 0.926 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1507623452 SKODQHYBWYPTLG-HUUCEWRRSA-N 429.568 0.481 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1 1507968251 QNIAWFBZOPHQDZ-MAUKXSAKSA-N 444.627 0.718 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1508139552 CWTMEUCGOKMGCW-HNNXBMFYSA-N 438.554 0.279 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1555386075 KIZGSIDQWLNMQZ-GOSISDBHSA-N 449.533 0.730 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(O)cccc2OC(F)(F)F)CC1 1561296690 TZLCIZCXLMIXSG-UHFFFAOYSA-N 435.424 0.737 30 10 ICEE C#CCN1CCC(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1586834730 BHMJTYHYCCDOOU-UHFFFAOYSA-N 448.589 0.608 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589053260 KZHWLWTYPFCORC-UHFFFAOYSA-N 426.550 0.502 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595530220 XFUORWOSFJJJMZ-INIZCTEOSA-N 434.508 0.933 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(F)(F)F 1595798391 OUMLROPOPWCMFG-NSHDSACASA-N 430.474 0.780 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1633089123 ONWTWNREUFSIGC-UMVBOHGHSA-N 427.548 0.832 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1660902182 ILHKSOXFEUTFNA-LSDHHAIUSA-N 436.552 0.074 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690219599 HPDCULKZDQRNLT-MNOVXSKESA-N 449.331 0.438 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1690724769 WFKVLPIUDIVDNG-CABCVRRESA-N 446.595 0.785 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690726891 PLUZCWDIPYIMBF-JKSUJKDBSA-N 433.490 0.979 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1705570691 SOTNSRMTGZPWRC-KRWDZBQOSA-N 428.518 0.193 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CCO1 1706048578 DCMNNNHAXIQTNE-FQEVSTJZSA-N 441.536 0.736 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1722462782 XZHZLZGGRGNOAR-CVEARBPZSA-N 443.595 0.450 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722702580 QCIBJLSWHWKIPU-HOTGVXAUSA-N 437.570 0.700 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1740615815 LRPAOLCLFFRKMS-AWEZNQCLSA-N 433.538 0.355 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1740622108 ULNFKOWNOJNPBC-CQSZACIVSA-N 429.481 0.888 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC2)CC1 1740708232 HUDRDQSJPNLEHP-UHFFFAOYSA-N 427.553 0.462 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740991209 QTSJYPNKZGPRPF-ILXRZTDVSA-N 427.527 0.070 30 10 ICEE CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747211828 DUKNLWVTKUEJRI-IWHJNQCMSA-N 429.481 0.152 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1748986690 GWXKYKBVORHJKI-UHFFFAOYSA-N 448.531 0.472 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749756264 VVFRKVLUDNJRQH-RBSFLKMASA-N 425.580 0.814 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760145090 HZHVXJLXGDWJQP-GJZGRUSLSA-N 431.584 0.705 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1760187281 CMGOWYHEZHGBRP-INIZCTEOSA-N 428.522 0.592 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1760288195 ULXRXXKLZRSUQB-HXUWFJFHSA-N 443.533 0.953 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1760316411 RGAZSLWOTMFMSV-ILXRZTDVSA-N 431.584 0.438 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1760505412 SWIJXVHTQDIDEL-IAGOWNOFSA-N 443.570 0.676 30 10 ICEE CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)[C@H]1CCOC1 1768561998 NGXSANDXGDFFLH-XJKSGUPXSA-N 436.494 0.349 30 10 ICEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770751449 IOGWASVROQXTAE-HNNXBMFYSA-N 428.497 0.632 30 10 ICEE COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)c1 1854695113 XBCKYJWZRMKCON-JTQLQIEISA-N 430.280 0.984 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(CC(F)F)CC2)CC1 60907258 GEZOAQCKQAAPET-UHFFFAOYSA-N 441.504 0.274 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440378417 GGRPVECGLGGTMP-MRXNPFEDSA-N 442.497 0.209 30 10 ICEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 444063779 FJZNSRGHHPLLSE-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@H]1CCCO1 477313456 FCKRVAYWDVSZEN-QGZVFWFLSA-N 445.516 0.802 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480928175 BNNWAHQOMGBYSB-HNNXBMFYSA-N 431.514 0.857 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 481786195 KQKNNJPDWOVXJG-MJGOQNOKSA-N 433.578 0.854 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C#N 489516733 TZDKJHPEPWZKSY-UHFFFAOYSA-N 429.506 0.399 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C)CC1 508560234 AFKRDCAHYAVJPS-UHFFFAOYSA-N 431.928 0.823 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 578912087 ITORGBSZLHCSOP-SFHVURJKSA-N 429.521 0.296 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccnn2)CC1 579688043 RQCHVSRSCHHQFR-INIZCTEOSA-N 448.553 0.304 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 735173100 PIYMAEPXILPOMK-ZDHNHOGNSA-N 443.551 0.655 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1158825948 IXMPZHKCEQADHB-NANYOFDDSA-N 435.424 0.871 30 10 ICEE N#Cc1cc2c(nc1OCC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)CCCCC2 1166705275 CHQFOQRVBPDTSQ-GOSISDBHSA-N 432.546 0.932 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1228508264 ZOINCHNVMXJQCJ-CVEARBPZSA-N 444.554 0.606 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286383578 XZRPCBKFKBODSS-QGZVFWFLSA-N 430.534 0.681 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1286789434 GRHSOIJUOMEUPW-UHFFFAOYSA-N 436.520 0.924 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286789520 HMMQJUAUSSXBMR-UKRRQHHQSA-N 434.522 0.296 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 1298433239 ICAHBCIARQAFFO-IUDNXUCKSA-N 427.548 0.945 30 10 ICEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C(=O)OC 1299178424 FZMUBVRRVSHUFH-INIZCTEOSA-N 436.486 0.555 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301579148 OKIAXCTUKLSZOL-GOSISDBHSA-N 449.581 0.580 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1301898790 GOTVRDNLGVBMQM-HXUWFJFHSA-N 441.536 0.736 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(C)(=O)=O 1358880247 HYFOXNSIEXUYBQ-CQSZACIVSA-N 429.510 0.318 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1359024789 WAZCHARKHVBBTI-QGZVFWFLSA-N 439.582 0.113 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359299732 MIKMEINSBZPOIB-SFHVURJKSA-N 447.584 0.465 30 10 ICEE N#C[C@]12CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@H]1CS(=O)(=O)C2 1460883544 RWZWRRIZEVRUAI-OXJNMPFZSA-N 436.509 0.149 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1478423288 ZMZHSKMEESMFBK-KNBMTAEXSA-N 427.486 0.633 30 10 ICEE COCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505048248 NOUNVUGPNPQXSO-UHFFFAOYSA-N 441.492 0.712 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507582153 ZHSOBSQAKVMSIZ-UHFFFAOYSA-N 449.581 0.969 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)C1 1508108393 GOZSYCPAPBCSCN-YOEHRIQHSA-N 448.549 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1508145027 ZTIFTLBJLRQGFS-KRWDZBQOSA-N 447.565 0.552 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1519409798 OTRZLXKQPDYLAZ-QZWWFDLISA-N 440.570 0.879 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1521089670 IDWNWHPMNWNDFY-FQEVSTJZSA-N 431.518 0.575 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 1621835590 USQISLVYKRQGQW-UHFFFAOYSA-N 447.966 0.189 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC(F)F)c(OCC)c2)CC1 1629796746 WGCYLBCLMRVGOC-UHFFFAOYSA-N 446.476 0.982 30 10 ICEE CS(=O)(=O)N1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 1631133448 YUPDIHALMFCBAT-UHFFFAOYSA-N 429.340 0.557 30 10 ICEE C#CC[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C(=O)OC 1637696441 DOWSBXSTGZGCIJ-OAHLLOKOSA-N 434.518 0.920 30 10 ICEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@H]2CCN(O)C2=O)c(=O)n(-c2ccccc2)n1C 1641378822 HDFCBRDKSGXMJO-HIFRSBDPSA-N 447.517 0.651 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690723844 BYWORVKTOFQWNH-IRXDYDNUSA-N 437.566 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690725497 RXJCGOKFPNMQFM-IRXDYDNUSA-N 430.534 0.580 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1696824568 DSYMLVVIBIZUAU-UHFFFAOYSA-N 447.565 0.964 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705474623 DGBOHRFZOMFGSI-ROUUACIJSA-N 429.569 0.915 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1705564984 DRTMHJDPNGLUNP-MRXNPFEDSA-N 431.566 0.950 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCOC2)n1 1722429481 MQEAHSXTASSGCQ-XMSQKQJNSA-N 444.536 0.806 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2cc[nH]n2)CC1 1722445385 WGQUZKJHYNQQJJ-OAHLLOKOSA-N 426.525 0.911 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1722467540 TYSQMESAXBCMKJ-VOBQZIQPSA-N 434.566 0.891 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1723954150 HWBICJNXBRHDTC-WMLDXEAASA-N 433.538 0.731 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1O 1729782504 GRVYTAOIIORTJC-DRSNIGMVSA-N 438.488 0.655 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740558955 YPLOTEPAEPRRRP-FOIQADDNSA-N 434.518 0.873 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)OC)c1 1740563446 ZJNGZHKLRIJBJV-LSDHHAIUSA-N 448.549 0.979 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1740685283 DQGKUEATONBOEO-HZPDHXFCSA-N 443.595 0.450 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749457044 FECGURFSXNLNDT-IRXDYDNUSA-N 437.566 0.974 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1749457339 JZDNAUVMZKWWQR-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cs1 1751782911 ORPKDBFPHDNWHO-INIZCTEOSA-N 431.522 0.612 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCNS(C)(=O)=O 1752279893 BDLOJHLRXBPPBT-AWEZNQCLSA-N 447.569 0.502 30 10 ICEE C[C@@H]1CN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1856734784 YPTRQGVSKPQHGU-VQIMIIECSA-N 432.546 0.832 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402687 ZTGGFPHQPPWMLN-MNOVXSKESA-N 440.331 0.880 30 10 ICEE Cc1nn(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(=O)c(C#N)c1C 19355006 NWZJIDXTXNKEJE-MDWZMJQESA-N 441.513 0.877 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2CC(N)=O)CC1 60296368 XEOBVFZRLYDWFP-QGZVFWFLSA-N 433.534 0.121 30 10 ICEE COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1OC 434834848 VUVCXVJREWRRPR-UHFFFAOYSA-N 438.506 0.711 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)c1=O 487526124 WSTLZVKKPMZXBT-SFHVURJKSA-N 435.488 0.285 30 10 ICEE COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCOC1 490053385 JTEOHGAZVMDUJD-SFHVURJKSA-N 436.534 0.128 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCCOC)C1 549270986 YEJHHKPFXVTQPV-IRXDYDNUSA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC1 551445925 WWEGBBUCRMNTFA-UHFFFAOYSA-N 445.925 0.744 30 10 ICEE COc1ccc(-n2cc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nn2)cc1 755417929 LCGAUPINSBOVRV-UHFFFAOYSA-N 426.458 0.631 30 10 ICEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3cccc(C#N)n3)CC1)C2=O 760913243 MVRAOYOJYQIUAE-UHFFFAOYSA-N 425.493 0.607 30 10 ICEE CO[C@@H](C)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 764190137 WWWAEUJVWXRBDM-ZDUSSCGKSA-N 429.520 0.440 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767872437 PMUUGTHVDDNMBV-CYBMUJFWSA-N 434.543 0.201 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOC)CC1 802423882 DXBJQDAKDXHZCD-LJQANCHMSA-N 442.520 0.861 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 918754924 KJVGBMWZRVHBFM-INIZCTEOSA-N 442.559 0.988 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N=S(C)(C)=O 1162646406 SEZAZCGLPOAIQD-ZDUSSCGKSA-N 428.536 0.654 30 10 ICEE CC(C)N(CCNC(=O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1)C(C)C 1163001601 AFSWFDMQYDPALX-UHFFFAOYSA-N 446.552 0.684 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286390118 XJBHCZGQVUUXQN-HUUCEWRRSA-N 448.549 0.583 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286778849 KOTIJMGQBFWUAY-HRAATJIYSA-N 432.525 0.591 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287487269 PPWAZQFYHAIWJR-DNTCVELPSA-N 427.509 0.814 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300497490 ZAZVDNZUZYTKQI-IRXDYDNUSA-N 435.550 0.673 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1301968169 KJTWCWFAKOOPII-IIDMSEBBSA-N 442.542 0.012 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CCS(=O)CC1 1303095855 JUEICSWCYCGIBD-HNENSFHCSA-N 441.517 0.359 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c1 1311749455 HXJRCMIFOISERG-UHFFFAOYSA-N 435.550 0.484 30 10 ICEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CC1 1313920742 LYTYNGUBUJHDKF-QYZOEREBSA-N 435.573 0.757 30 10 ICEE Cc1cn2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2c(=O)[nH]1 1441008374 HWAGPZQSJZKMOS-UHFFFAOYSA-N 426.458 0.349 30 10 ICEE C#CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCOCC1 1477274976 GEQRQQOQHMAZSJ-UHFFFAOYSA-N 435.550 0.405 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630732 GOKRZASEWQBIPB-IRXDYDNUSA-N 445.549 0.083 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1507631677 FWDYJLWBFDDZQO-JKSUJKDBSA-N 444.579 0.234 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1507654270 XWUZMUZVOGXTJL-KRWDZBQOSA-N 442.520 0.962 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1512435935 ULECAVHDUJRNQQ-ITZAQCPESA-N 436.476 0.533 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1518642566 DVOSAQCLKFOKSC-KSFYIVLOSA-N 440.504 0.652 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1539430072 GWAUCVQNLPUHBL-OKZBNKHCSA-N 438.598 0.849 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539704633 GDZJALKYTFTJTD-HOTGVXAUSA-N 438.554 0.388 30 10 ICEE C#CCN(CC(=O)N[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)CC)C(=O)OC(C)(C)C 1565583875 BROYEENGFIMYNK-HKUYNNGSSA-N 438.569 0.836 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1589069763 NRGPYCOIUVXRIK-LSDHHAIUSA-N 429.568 0.203 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCS(=O)(=O)CC2)CC1 1594014846 WXDOBZMETILHKS-AWEZNQCLSA-N 431.584 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595812381 RHKKAJUPYWGUCX-ZDUSSCGKSA-N 438.579 0.902 30 10 ICEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)c12 1629840155 GNVGXCNQCYKFOE-HNNXBMFYSA-N 429.502 0.101 30 10 ICEE CS(=O)(=O)c1ccc(CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1652848585 DSEWMTYRBPYSMX-UHFFFAOYSA-N 444.513 0.272 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C(C)=O)CC1 1689847838 JPBYBBNBNBDYBA-HNNXBMFYSA-N 427.509 0.628 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689929666 BLWNAAURUAABEL-GOSISDBHSA-N 449.577 0.669 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993750 KOOAIBHLDCNZHI-LJQANCHMSA-N 428.562 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1690000189 VCGMXDIULTZFIO-OAHLLOKOSA-N 428.518 0.968 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690174194 AGZDNDYDOHIGMV-INIZCTEOSA-N 427.596 0.914 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1690265113 KIZBCLQGNJVJTP-MRXNPFEDSA-N 442.586 0.882 30 10 ICEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1693871354 HWULAEQDEMHNSY-FOIQADDNSA-N 446.533 0.438 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1705565444 UPPYNOIDYKFEJX-ZDUSSCGKSA-N 438.460 0.348 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2=CCCOC2)C1 1712706860 PSNWUEAXQLAOGN-KRWDZBQOSA-N 436.538 0.698 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)cc2)CC1 1722430336 AYZJIWDXWMZXMA-KRWDZBQOSA-N 446.577 0.895 30 10 ICEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722489145 MXZJFUSEKUYGGU-UHFFFAOYSA-N 441.330 0.650 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740635975 STOLXUUMOMPDRC-OAQYLSRUSA-N 444.513 0.585 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCNS(C)(=O)=O)CC1 1740706077 PJGZEPPHHZGPDN-UHFFFAOYSA-N 436.582 0.841 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1747972997 BPOUDRNPJKRFQQ-UHFFFAOYSA-N 441.521 0.388 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1748667361 SERSVEYKTUPSLO-KGLIPLIRSA-N 426.568 0.066 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1748929858 RBKOIQVPJODVQL-SJORKVTESA-N 426.587 0.801 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1749575210 NVPQRRBPUNAYPI-GOSISDBHSA-N 436.582 0.523 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760181178 QRAIKZVZNWHUMM-GOSISDBHSA-N 430.534 0.493 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1760196340 LTDHWKCCBRXVEF-KKSFZXQISA-N 428.493 0.380 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2=O)CC1=O 1853738163 HIRUFISQWJVIOM-GFCCVEGCSA-N 443.884 0.873 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)cc1 1855845275 QIRBYOZTOGHQBF-AWEZNQCLSA-N 444.435 0.944 30 10 ICEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C(=O)C2)C1 1856839750 MGKHUWBCQNXARL-DLBZAZTESA-N 431.562 0.595 30 10 ICEE CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 486621660 UZCLQGFGHIBNNK-QGZVFWFLSA-N 429.502 0.678 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 514522871 LLLMEFLLKMOJHM-KGLIPLIRSA-N 433.555 0.804 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@H]4CCCCN4C)CC3)CC2)o1 532559669 LCNITAXFSXOHLG-LJQANCHMSA-N 429.569 0.605 30 10 ICEE CN(C)C(=O)CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 540554053 OACCDHIDTDORTI-OAQYLSRUSA-N 444.555 0.630 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCO2)CC1 549460398 LLSNGKCFXKPHQQ-IBGZPJMESA-N 442.568 0.743 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 571248875 ZWMNUEUOWJQDIV-UHFFFAOYSA-N 438.460 0.773 30 10 ICEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 679755179 MZDIXDGPNJCTOL-UHFFFAOYSA-N 438.553 0.899 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(CCC)c2)c1=O 735069159 MLTLGWALXAOGKK-UHFFFAOYSA-N 440.573 0.369 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804960415 QPTLLVRGBZXGGQ-NSHDSACASA-N 445.462 0.791 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCCO1 814249615 VCUNZJVOCRFVID-CQSZACIVSA-N 449.483 0.356 30 10 ICEE Cn1c(C#N)ccc1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1127605070 ZQXLJELEZQUYEF-UHFFFAOYSA-N 440.503 0.431 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(C4CCC4)C3=O)CC2)cc1 1253814742 XESNESKUBGASFD-SFHVURJKSA-N 431.518 0.728 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1286389581 MTGFAYZOLPKSOR-MRXNPFEDSA-N 447.565 0.468 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC1 1286491978 CAQFGJJHNVFPJV-QGZVFWFLSA-N 437.566 0.573 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286778851 KOTIJMGQBFWUAY-IIBYNOLFSA-N 432.525 0.591 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NC(C)C 1297287559 FWSYVZNYSSWNKI-HNNXBMFYSA-N 427.513 0.716 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1 1305006509 KVAHIBQCYLDLBT-INIZCTEOSA-N 432.506 0.164 30 10 ICEE CO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315694966 YFZUCDYTVBBSEV-DXQAYGFFSA-N 443.508 0.656 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1358961068 QZIRDWKUJXIBRZ-AWEZNQCLSA-N 428.465 0.587 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC(=O)NC2CC2)CC1 1359030812 GOTOEVSPWZCAPD-QFIPXVFZSA-N 430.553 0.744 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1467451362 HHAZMCTZSUNKJM-MRXNPFEDSA-N 441.550 0.399 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)C2)c(=O)nc1O 1469962801 XQGLSMIOQOEIPS-GOSISDBHSA-N 432.440 0.990 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)ccc2c1=O 1471922202 GHRUEMOSXAZFDZ-UHFFFAOYSA-N 444.560 0.658 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1479404209 GPIJKXVBSXVGAD-JKSUJKDBSA-N 443.570 0.475 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1505314202 AHRLIERJLLASTB-DYVFJYSZSA-N 439.473 0.332 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)c1 1507550686 PHRFTPDCUHWGJT-GOSISDBHSA-N 449.515 0.812 30 10 ICEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1516400036 BYJBYXWGHNFIDK-UHFFFAOYSA-N 426.477 0.595 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539212902 YULQTQKRUHCAIR-ZGGTZUKQSA-N 447.561 0.840 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1540189116 JAGYWYZTXJZILM-UHFFFAOYSA-N 425.555 0.978 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1540874739 QFSDHVQFKMRMKS-UHFFFAOYSA-N 428.541 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1540897645 OIWUXZYOHDBHDD-ZIAGYGMSSA-N 435.572 0.104 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1545051453 MRPPBXHLOLBZIK-HLAUDOPJSA-N 429.481 0.152 30 10 ICEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1558643171 OJDAQAHTPHCWBP-MAUKXSAKSA-N 425.532 0.369 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1585295811 GUZSSVVEPFSDPM-RJCBAWPRSA-N 428.445 0.667 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1588083900 LXBSPUTZVGQPPC-KRWDZBQOSA-N 434.566 0.754 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1588229300 STHKNZLUIAUYMN-SFHVURJKSA-N 433.578 0.754 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588646471 KRKWGVGPMXEVOZ-FOIQADDNSA-N 435.550 0.277 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588848840 NWEKGICFISNOJY-IBGZPJMESA-N 428.562 0.844 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CF)CC1 1588891716 SHOUIHGSGZCSII-AEGPPILISA-N 426.518 0.385 30 10 ICEE C=CCOC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1634058479 FEPNDFCEYVZYDU-CABCVRRESA-N 427.498 0.753 30 10 ICEE COC1(OC)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1O 1643455946 WHGBOSWUJVIZHJ-GOSISDBHSA-N 437.518 0.541 30 10 ICEE C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)C1CCOCC1 1669438574 GEFDFQOHNQNWLK-MRXNPFEDSA-N 427.461 0.729 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 1670358705 KAJZAUHCWXQWEC-UHFFFAOYSA-N 443.529 0.822 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)CC1 1676156166 KRCBGYAMJDHYQA-UHFFFAOYSA-N 444.561 0.826 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1683398345 CAAWIZUQOPFGQN-LSDHHAIUSA-N 431.559 0.473 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1690660755 NWJYFHFLCIVGFE-NSHDSACASA-N 427.556 0.592 30 10 ICEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1697083709 KCAABRFOTKZMTD-MRXNPFEDSA-N 439.476 0.896 30 10 ICEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698002274 XUTVZJVOURKMTC-CYBMUJFWSA-N 432.506 0.752 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705516048 SSMVIQDCSYVIOC-ZWKOTPCHSA-N 427.553 0.776 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1705596450 FFAUYSFUYYGVPO-SFHVURJKSA-N 440.529 0.582 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1705716218 CUAYVDJKFNNLOD-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705737163 LFYBUUGMCOGFLM-HZPDHXFCSA-N 425.555 0.735 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1706648049 GWAMFQCVIGPUBR-WMZOPIPTSA-N 437.504 0.968 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722729798 XPNMARZXLGTWDE-INIZCTEOSA-N 431.522 0.079 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1722843759 QJFYRUMIHHFRPR-GCJKJVERSA-N 437.504 0.636 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723624043 RDNSCAAUESFJTE-SXXBIRCQSA-N 433.538 0.884 30 10 ICEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740815128 ORPGEZMFGHQZLA-CQSZACIVSA-N 446.895 0.765 30 10 ICEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740873700 FBJGTKZICIMIDU-SFHVURJKSA-N 446.552 0.993 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNC(C)=O)CC1 1748979890 RJYFYMITGCEZDW-UHFFFAOYSA-N 444.561 0.630 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)NC)CC1 1749010075 HMENXORAKAJBIY-UHFFFAOYSA-N 448.524 0.599 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)CC1 1760259967 SXGNUCAFEVWPQG-OXJNMPFZSA-N 449.602 0.905 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760525804 RZASSOOEENBDBU-MRXNPFEDSA-N 433.538 0.084 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3[C@H]3C[C@H]3C)CC2)c1C#N 1762399725 AEHFQGICAAIXTG-INWMFGNUSA-N 447.569 0.709 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255648546 MJFVXFNIPVLHGH-KBPBESRZSA-N 436.318 0.741 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2317674513 HUBIKBWOVUXQBK-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC3)C2=O)n(C)n1 409514664 QYVDRKRGUQDKRX-RDJZCZTQSA-N 437.570 0.178 30 10 ICEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)n1 541100749 IDOKTXUCCMXDQH-UHFFFAOYSA-N 437.913 0.835 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)n1 545489092 HNEFCVNEZRIDCB-IBGZPJMESA-N 426.521 0.315 30 10 ICEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-n4cccn4)ccc3=O)CC1)CCOC2 585587133 LKSZQECXRHLWEU-UHFFFAOYSA-N 432.488 0.591 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 590928093 VEACGTWJKZJAQU-UHFFFAOYSA-N 440.569 0.580 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 735173096 PIYMAEPXILPOMK-IXPAQYDLSA-N 443.551 0.655 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 735876930 RJBZGUQYOBLTTD-MOPGFXCFSA-N 430.505 0.205 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 736068066 RUJKFQPFSYYFGX-UHFFFAOYSA-N 440.953 0.940 30 10 ICEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC1CC1 741095480 FQNTYZQMEUWLAS-KRWDZBQOSA-N 431.518 0.573 30 10 ICEE C#CCN(C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 774035616 IGAWQFIADARXPB-IBGZPJMESA-N 448.545 0.636 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 788014194 KPDNFTHYZQNIOY-UHFFFAOYSA-N 430.552 0.255 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)n1 789324336 JIOARPFLSDFISL-INIZCTEOSA-N 445.545 0.590 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 791511759 SFZBWTVOESEHAZ-UHFFFAOYSA-N 436.467 0.555 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 1140132244 AJXJZAJXKKXPOX-INIZCTEOSA-N 444.536 0.750 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1157147036 AOXQPTOHPMFBQJ-UHFFFAOYSA-N 434.449 0.936 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286392408 BPXHBNKTYZNKLR-SJORKVTESA-N 435.550 0.596 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1286447138 JUVVYIUSYSGYLV-KRWDZBQOSA-N 435.554 0.666 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1286462208 GWWLOJSGCNEECG-UHFFFAOYSA-N 445.505 0.229 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1286466303 FXWPBXZNRQTQDI-UHFFFAOYSA-N 438.579 0.755 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1300465417 MFRLMOBAHYWSJV-LSDHHAIUSA-N 431.509 0.606 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301497765 CZESLYPLMQRDPI-BTYIYWSLSA-N 445.524 0.636 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 1302924793 RIDRKQZQCVFKMC-UHFFFAOYSA-N 446.573 0.470 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1316347429 DUGSZGYJBINOPQ-IBGZPJMESA-N 449.558 0.876 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)CC1 1324551966 DDVVYDRLWDQIEH-UHFFFAOYSA-N 436.472 0.083 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)CC1 1359029262 SHUKIMBZQRKSER-CQSZACIVSA-N 440.961 0.194 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1359090411 AUUZENUPICXDIP-OIISXLGYSA-N 440.570 0.538 30 10 ICEE Cn1cc([C@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1463163527 OHKJVWFHQONXSG-MZRZTIOWSA-N 433.534 0.505 30 10 ICEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1505115776 FNHTZENJDACEFP-FXAWDEMLSA-N 447.517 0.503 30 10 ICEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507627086 CMTKRJXXMJURRU-CYBMUJFWSA-N 446.924 0.797 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1507711730 YMGDSRQOWCIIEX-QGZVFWFLSA-N 446.533 0.668 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508141622 NPCVBRVTEZYQOZ-HNAYVOBHSA-N 439.538 0.804 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509678771 GMFIQCUXHNDMRO-ZPHPHTNESA-N 444.540 0.473 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCS1(=O)=O 1539650352 OSJBLZCZDZXLMA-AWEZNQCLSA-N 434.588 0.326 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1540007204 ZDEPUSQMZVMMNG-OAHLLOKOSA-N 436.542 0.497 30 10 ICEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)C1CCOCC1 1585148823 KBRLCNWUVMBTDG-ROUUACIJSA-N 436.530 0.773 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588040876 RCDVAHKREVAMHU-KRWDZBQOSA-N 436.501 0.620 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588891308 NOOHIZAIHCRGJU-HOIFWPIMSA-N 449.552 0.508 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS(=O)(=O)C1 1594963575 VCADHIOXQSOPAU-CABCVRRESA-N 447.583 0.058 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595831887 YWHGMDSJYRRKTJ-UHFFFAOYSA-N 448.549 0.773 30 10 ICEE CS(=O)(=O)CCOc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1617362651 AHGMQORVIOIEAM-UHFFFAOYSA-N 437.499 0.787 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1618647495 ZUWKMTQJAQMBAL-KGLIPLIRSA-N 432.506 0.656 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1624629093 VTBMWKVRTRVSQR-AWEZNQCLSA-N 434.522 0.499 30 10 ICEE COC(=O)C1([C@@]2(O)CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CCC1 1636123434 PHFKLHSTIIGLEU-HXUWFJFHSA-N 435.502 0.422 30 10 ICEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C(C)(C)C 1641627860 WMNYXJDVHRPKCQ-QGZVFWFLSA-N 441.575 0.899 30 10 ICEE CC(=O)N1CCN(c2cccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)CC1 1676415884 HSDPUTXDMFDDOR-OXJNMPFZSA-N 431.518 0.757 30 10 ICEE COCCOCCN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1686341139 CZKFOTHOJPVSLQ-FQEVSTJZSA-N 429.521 0.649 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1690484770 DAKUICXOFAQOIN-OAHLLOKOSA-N 428.559 0.538 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677384 VVHKYPKDRWGOJC-VGOFRKELSA-N 446.552 0.822 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705704134 ZDNKBOLGTHUIEJ-KXBFYZLASA-N 444.540 0.288 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705905207 NNWXDACHQIMTFL-UHFFFAOYSA-N 433.538 0.038 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722307511 XUSGUSDRCJWQMG-SFHVURJKSA-N 429.569 0.963 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1722508294 RNESNWZSNYAOAI-BXWFABGCSA-N 432.525 0.505 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730300937 NJMWRGCVYNQCDW-CVEARBPZSA-N 439.476 0.594 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740617006 KEUQPSZEXSLHCT-GJYPPUQNSA-N 444.529 0.541 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740627616 RNDGNJJIWDTQFA-GUXCAODWSA-N 434.518 0.909 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1748930094 XNASVCZTWBEYPE-ZDUSSCGKSA-N 425.540 0.279 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1749725174 RSQWWLDGRCGENA-UHFFFAOYSA-N 443.551 0.529 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1760358075 RBDOLQFCKVIXBN-SJORKVTESA-N 443.570 0.819 30 10 ICEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770740205 ALMLBABPNHPOJX-HTXNQAPBSA-N 438.492 0.780 30 10 ICEE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987816 NZDHKYXLHRJYKD-UHFFFAOYSA-N 444.469 0.945 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)CC2)CC1 1890113492 WVUCJERDXBDVAB-UHFFFAOYSA-N 445.520 0.556 30 10 ICEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1OC 1891533379 HSTPASOHEPYYPL-GFCCVEGCSA-N 447.473 0.696 30 10 ICEE Cn1ncc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821368 DVUBCRLZCUFYDV-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE C#CCO[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286018476 REDLMXKPFHSNKN-MSOLQXFVSA-N 438.502 0.898 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 32464346 JWUYERDXQZWUDD-UHFFFAOYSA-N 438.550 0.442 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CC1 486647659 BNPQNPWDMCRTCW-UHFFFAOYSA-N 430.553 0.526 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(C(=O)CC#N)CC1)n2C 503631086 YEXRKRGURVTAHZ-UHFFFAOYSA-N 446.533 0.341 30 10 ICEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 504280796 KYBWFUYWTCTXRN-BEFAXECRSA-N 429.539 0.901 30 10 ICEE CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537397436 WTAZMYVZAXEXGV-UHFFFAOYSA-N 442.541 0.784 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 542175026 XBHKSCUILFSKPY-PBHICJAKSA-N 444.517 0.266 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cc2)CC1 612271206 KZLJVCJROAQLJG-FQEVSTJZSA-N 433.534 0.713 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 680516727 IJUBEVHTGSDHQZ-UHFFFAOYSA-N 448.467 0.430 30 10 ICEE C#CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H]1CCS(=O)(=O)C1 729331112 JLIJGQDDLGHJGU-AWEZNQCLSA-N 430.442 0.712 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@H]1CCCO1 736588177 SNTNPCGDKSVJGQ-CQSZACIVSA-N 448.570 0.428 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749338489 PYLPIROIBQSOMV-UHFFFAOYSA-N 434.298 0.485 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)cn1 772275880 LMBBZFQUSIZXST-UHFFFAOYSA-N 447.520 0.617 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 776057301 VDLWAFLCERSTFK-LEWJYISDSA-N 437.544 0.756 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 781050945 IRVVYVZQBMWNLH-CTNGQTDRSA-N 436.516 0.973 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1286294730 FQTWEYZRYDTCRW-FGTMMUONSA-N 438.598 0.943 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286496553 UFNOFYAEVGFLNW-MJBXVCDLSA-N 442.567 0.189 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286785684 PVFMNSXRTZQPAU-UHFFFAOYSA-N 449.519 0.406 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1286792897 KXDVTBTZNLWDKA-ZHRRBRCNSA-N 446.552 0.727 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1296328950 GULKNGMPHICAMU-QZTJIDSGSA-N 446.533 0.750 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1299147794 QTBCCQXSCVSTIR-NXSRCCIVSA-N 429.481 0.023 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)CC1 1300700204 MZBNQVSSNMYLRQ-KRWDZBQOSA-N 425.555 0.336 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1301404622 PILDUVAIPBLZPF-JMGYQRAPSA-N 443.595 0.701 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301577947 QJBXQILCRSJLDG-AWEZNQCLSA-N 429.568 0.754 30 10 ICEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1310074265 DFTWZXYDSGIFKO-INIZCTEOSA-N 436.534 0.813 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358959681 NRQYTQRZLSQKHX-OALUTQOASA-N 441.513 0.859 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1358994157 GJKIGBUMOMYPBW-IERDGZPVSA-N 429.546 0.654 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359049840 WWBJIDZDGDOIEG-RRFJBIMHSA-N 440.595 0.502 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 1359178804 CFUACNITSYVOLM-INIZCTEOSA-N 425.555 0.928 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1503412101 FMPCDLQSGRGVGH-QGZVFWFLSA-N 431.518 0.982 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1507668706 BMAPXWLDXQBSHO-CYBMUJFWSA-N 431.440 0.322 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507744999 YUYMZCGUQBLETF-FQEVSTJZSA-N 447.565 0.597 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1507791010 GPFQGOZKAORYCS-PKOBYXMFSA-N 446.552 0.790 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508072284 IOUBYLCMGZOBRF-ZBFHGGJFSA-N 425.449 0.870 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508089424 XFMLCKIEHXAFAL-HUUCEWRRSA-N 447.540 0.977 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539428252 OGNPGTCYUJFNHV-UHFFFAOYSA-N 437.548 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540903462 DZVJLTWTKURLLX-UHFFFAOYSA-N 438.598 0.576 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1543998828 ATWINWGZYDQSTQ-KRWDZBQOSA-N 435.506 0.572 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1559974903 ZYDCJLCFQARSJE-SFHVURJKSA-N 432.565 0.418 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588074191 KTEJZSBRZUYSFF-QGZVFWFLSA-N 437.566 0.890 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccco2)CC1 1588751808 NJWLCQJGKUKTRG-QFIPXVFZSA-N 442.520 0.708 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C1 1595723216 SYKZWEPZEIMMND-CVEARBPZSA-N 425.555 0.830 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1607351680 AGBAYPXFWMCHGE-INIZCTEOSA-N 448.545 0.903 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1611320858 AKBOGLXPNYCXLM-KGLIPLIRSA-N 444.435 0.706 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1620177783 NRSCAJIXHPOYTF-LBPRGKRZSA-N 426.449 0.425 30 10 ICEE C#C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1625165103 FDJYZGXRSBZYSV-BXUZGUMPSA-N 431.308 0.093 30 10 ICEE COCCn1cc(CNC(=O)COc2ccc(C#N)c(Br)c2)c(O)nc1=O 1633003599 YASNUACXBLMNCW-UHFFFAOYSA-N 437.250 0.925 30 10 ICEE N#Cc1cn(C2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)C2)c(=O)nc1O 1637513814 PUUXFZVHZUPWPZ-UHFFFAOYSA-N 436.472 0.333 30 10 ICEE Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@@H]2CCN(O)C2=O)c(=O)n(-c2ccccc2)n1C 1641378821 HDFCBRDKSGXMJO-DZGCQCFKSA-N 447.517 0.651 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)C[C@H]1CS(=O)(=O)C2 1648156124 WOYJDPLONNCWMD-SCLBCKFNSA-N 439.515 0.187 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1689876919 MHBNTNYPBUXLCS-MSOLQXFVSA-N 438.598 0.850 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1690120483 WJZKIHFTZAUZOS-UHFFFAOYSA-N 437.529 0.942 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1722296646 SYIYUHNTHMHOGE-CRAIPNDOSA-N 433.534 0.610 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1OC 1722372646 BPNCOUTXLSDGAW-CQSZACIVSA-N 432.506 0.422 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722436481 HZEDZYCEDDUQLH-ROUUACIJSA-N 436.582 0.556 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740615757 KQORPOYZCPJGBV-KSZLIROESA-N 449.577 0.956 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740615772 KVNFWRNGGVJGQV-KRWDZBQOSA-N 445.549 0.406 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1740620034 BOQMUEKNZPUSSG-AWEZNQCLSA-N 429.481 0.888 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@H](C)CC 1740640586 QNLVDVLZDPVZGZ-FUHIMQAGSA-N 437.566 0.481 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCN(CC)CC2)CC1 1740695353 OCTILIJFDHPWKR-UHFFFAOYSA-N 439.612 0.852 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1740744736 FYILXVXCVDCDCG-NWDGAFQWSA-N 432.344 0.791 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(C)=O)CC1 1740993027 XGMPYVWNGFEPHZ-MRXNPFEDSA-N 425.555 0.878 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749140812 STRNTFHKVPLCEG-HKUYNNGSSA-N 448.568 0.969 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCc1ccco1 1760210855 XXSPESCKNFAAIL-OAHLLOKOSA-N 432.506 0.261 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCN(C)C2)n1 1760251769 GIPALNMOTXUREG-GCJKJVERSA-N 443.552 0.331 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760279437 DHUSQGAMTZOEHT-HNNXBMFYSA-N 435.579 0.867 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760450108 DKJYURWREAZKFL-JKSUJKDBSA-N 430.513 0.907 30 10 ICEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760513999 NCYLXOUJLUWBBQ-NVXWUHKLSA-N 429.529 0.718 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCN(C)C1 1761472991 HVMXCHAHZKPJJC-RDTXWAMCSA-N 425.559 0.085 30 10 ICEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1766972834 BVLQVEAXFPNWGG-UHFFFAOYSA-N 435.492 0.771 30 10 ICEE C[C@H]1C(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccc(C#N)cc1F 1855027482 WPDSZTOAIIYRJV-AWEZNQCLSA-N 436.509 0.928 30 10 ICEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(CCO)CC2)cc1=O 1870388045 DZNNVMQCDGSESB-UHFFFAOYSA-N 436.534 0.218 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4ncc(F)cn4)C3)CC2)CC1 1889370443 UXMXUSOSYQMHIZ-UHFFFAOYSA-N 444.555 0.700 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCN2C1=O 2255602821 XTHPNOKCZNWVJR-GJZGRUSLSA-N 433.314 0.958 30 10 ICEE CCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C=O)CCCN=C(N)N 5179910 BFUKWVVFVGUARP-GVDBMIGSSA-N 440.589 0.196 30 10 ICEE biogenic CCn1cc(C#N)c(=O)n(CC2CCC(Cn3c(=O)c(C#N)cn(CC)c3=O)CC2)c1=O 447315388 YSXWVHQNXBPFPU-UHFFFAOYSA-N 438.488 0.623 30 10 ICEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 497681996 RLNLTALRNDLCRA-UHFFFAOYSA-N 427.505 0.956 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCCOC)CC1 508903385 OQXNNUUGIUOFHO-KRWDZBQOSA-N 443.570 0.819 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 540346660 PFXAZJVABKBYCT-OAQYLSRUSA-N 432.613 0.555 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C[C@@H](C)O1 544746780 YGUFKKSQTWFJPS-HZPDHXFCSA-N 434.584 0.372 30 10 ICEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 552797264 CPZMHYRQRRBORT-UHFFFAOYSA-N 441.513 0.463 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 746006349 GXCCZLPLSLGZKI-GOSISDBHSA-N 433.530 0.842 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 749534352 VINSQJDODAJRFL-LJQANCHMSA-N 425.533 0.824 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767880257 LSAKFZXJGVURIK-AWEZNQCLSA-N 432.571 0.817 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(S(N)(=O)=O)CC2)C1 1153413403 YQCYDJBNJQLRLP-UHFFFAOYSA-N 428.312 0.105 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286790087 NMKWZADWXJBVAP-UHFFFAOYSA-N 440.552 0.213 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)CCOC1 1288324438 YZFIDVNKQHYRHE-RXVVDRJESA-N 434.541 0.770 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1300466634 YVTCTTAYJFRJOG-KRWDZBQOSA-N 443.533 0.685 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300482758 GXHXTWWMHSGTGY-CABCVRRESA-N 431.584 0.358 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1300509724 STIIAJLREBIDFT-UHFFFAOYSA-N 427.490 0.034 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1300699309 AZIPMCAVLYMGGN-SFHVURJKSA-N 438.598 0.599 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1301499745 FCYYUXDOEWSYDN-XHSDSOJGSA-N 440.570 0.538 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1318692855 FAJOKBLTGWRDKN-FBMGVBCBSA-N 440.428 0.662 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1358948470 CXULLWFETAALPW-GOSISDBHSA-N 449.581 0.890 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358949081 SGCBVZQMJCWZSI-HUUCEWRRSA-N 449.499 0.903 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359179304 QXRLYQODXCSNQT-CABCVRRESA-N 436.538 0.571 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NC3(C#N)CCOCC3)CS(=O)(=O)[C@H]2C1 1444212571 ZXPKFVPUITYRNE-ZNMIVQPWSA-N 427.523 0.846 30 10 ICEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1464640358 NNIGYXOHEMRNCD-UHFFFAOYSA-N 431.470 0.984 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1507632129 XJJVWRBJQBBDMD-SFHVURJKSA-N 425.518 0.943 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1508070795 CXTOBTLMKWBMAA-UHFFFAOYSA-N 445.911 0.490 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1510153080 CBYVVWVVJSTEOS-CQSZACIVSA-N 433.538 0.875 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1539361944 KGVWXIFRCQJVQK-UHFFFAOYSA-N 449.515 0.900 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N[C@@H](C)CC)CC1 1539427873 JPMWKLVYDTZWDZ-KRWDZBQOSA-N 438.536 0.985 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540903798 HARNIAMOORATOW-FQEVSTJZSA-N 430.534 0.724 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1544571351 FHBDOZSSJPOBPB-CVEARBPZSA-N 442.520 0.966 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1555818439 ZKCIMQMPHNSDAM-JKSUJKDBSA-N 429.506 0.081 30 10 ICEE CN1CCn2ncc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2S1(=O)=O 1557298403 GEHRGCSWZBMNNC-UHFFFAOYSA-N 428.518 0.783 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1588050644 UFBAZCYPEUOWER-SFHVURJKSA-N 442.549 0.970 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589070721 WYLCRXRRDQQWOL-SJORKVTESA-N 439.607 0.851 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1595811968 ITHZUJCADFTMMB-UHFFFAOYSA-N 432.550 0.827 30 10 ICEE C#CC1(O)CN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1631702803 LNSCJJWCENOYCT-UHFFFAOYSA-N 437.518 0.494 30 10 ICEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1643702863 FOEGLYXJAQSJAU-LJQANCHMSA-N 425.474 0.467 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3cccc(OC)c3)no2)CC1 1687710562 KLWALWCTCVPNEI-UHFFFAOYSA-N 433.490 0.645 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690644317 DJJBVNDRIYVJOO-ZBFHGGJFSA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1690671502 XIGKVLFDFONHRX-HNNXBMFYSA-N 428.559 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1690723956 FCOYCLQBNWDCIP-CYBMUJFWSA-N 445.592 0.874 30 10 ICEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696422654 ABCUCUULGXTNIQ-OAHLLOKOSA-N 448.553 0.518 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1698301550 GHRQJPFRLXEDGC-ZWKOTPCHSA-N 447.517 0.767 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705566757 QYNMKTAOIIHZFE-RYRKJORJSA-N 432.550 0.978 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1705628839 QQAHJQCKMAJMCY-LPHOPBHVSA-N 443.570 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705932770 YWYGYWTYRAMQSO-OAHLLOKOSA-N 445.549 0.831 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722459068 BORZDVUAVOYJFT-HNNXBMFYSA-N 437.591 0.653 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1730947330 UGWKIQHPYAOEGU-ZQIUZPCESA-N 430.506 0.335 30 10 ICEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1740897932 ZSQLACPPCUXRIH-UHFFFAOYSA-N 431.522 0.846 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748811029 AHSCMOKIZGBBMR-HNAYVOBHSA-N 433.559 0.835 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNC(=O)C2CCC2)CC1 1748978595 NYYFBQMCNBJLAH-QHCPKHFHSA-N 444.580 0.992 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749670093 OMKLWVYMYBVNGL-KRWDZBQOSA-N 431.541 0.223 30 10 ICEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750262574 DPMISNUMJRVJQG-CJNGLKHVSA-N 444.558 0.949 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760180882 MMUZBEQGVLZUPT-HZPDHXFCSA-N 426.539 0.665 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760545085 NFKQXBLYHABYIP-OXQOHEQNSA-N 433.534 0.979 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCS(C)(=O)=O 1763112755 YLDUDCFFPSYAGH-UHFFFAOYSA-N 433.538 0.495 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1770361870 DUUXQPINUINXLX-UHFFFAOYSA-N 428.522 0.806 30 10 ICEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264758 WIXFHMGHHODNHW-GHMZBOCLSA-N 445.251 0.786 30 10 ICEE Cn1nnc(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 2267273614 OZRGDRVZDRSTTI-ZSOGYDGISA-N 447.345 0.957 30 10 ICEE Cc1nc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504217 LRVIVMUYSWCWFV-CYBMUJFWSA-N 427.332 0.411 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](CO)C(=O)O)cc2Cl)OC1(C)C 2284403292 OQLFMSJGWKSGAV-MRVPVSSYSA-N 425.721 0.672 30 10 ICEE N#CCC(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169852191 DNRCMTJZPYIDHE-UHFFFAOYSA-N 427.417 0.992 30 10 ICEE C[C@H]1CN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(CCO)[C@H](C)C3)c2)CCN1CCO 490072633 BZTFJBUSNBOGTP-DLBZAZTESA-N 432.525 0.472 30 10 ICEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 538421142 KXPGPKPKNUZPCP-UHFFFAOYSA-N 429.502 0.528 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2OCO3)CC1 543941211 VFMMZIJIHMRUKE-UHFFFAOYSA-N 442.453 0.759 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 609495493 UPUPKFAJZYFNRD-KRWDZBQOSA-N 428.518 0.820 30 10 ICEE CNS(=O)(=O)CCCOC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 777041162 HOVCFQJCCMAPJU-CQSZACIVSA-N 431.536 0.622 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780859201 YKNUIQQFLILSAE-QGZVFWFLSA-N 449.510 0.973 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1144027897 RIBYVQVLJUMTPO-SFHVURJKSA-N 430.509 0.485 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)CC1 1196849277 SBHNANDOWYYQKM-UHFFFAOYSA-N 434.566 0.364 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 1222954676 YIPNBFMCVOIQIB-INIZCTEOSA-N 445.586 0.721 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1286274440 NRKQCBXOFYXRFD-UONOGXRCSA-N 439.563 0.798 30 10 ICEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1287606393 ZESFLUOLRZLGPI-INIZCTEOSA-N 440.570 0.902 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1288825109 AUZZUCZXNUGTRP-SUNYJGFJSA-N 436.517 0.789 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300479650 RAKOICUNSXTYMP-MGPUTAFESA-N 446.533 0.713 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1300500743 CQPPVILWDHRMOR-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1300501194 HRVUUFOZBYDREO-QZTJIDSGSA-N 449.577 0.352 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1300672248 WZZXJYYQIGCTEJ-QGZVFWFLSA-N 439.582 0.377 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1300972639 NRVYZTJAFXOVGE-CQSZACIVSA-N 449.599 0.494 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358967301 HTGZSGDTSUBPBC-XHSDSOJGSA-N 435.550 0.671 30 10 ICEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1359280963 JXVOGTUUQNOQGG-JOCHJYFZSA-N 440.504 0.982 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1360348063 RVKGOWWJYFXNHF-IERDGZPVSA-N 448.524 0.330 30 10 ICEE COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CCC1 1456387622 BJONNHMRMOXNAM-QVKFZJNVSA-N 449.529 0.922 30 10 ICEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1508701238 DVNONLVUANTVIS-JFIYKMOQSA-N 432.525 0.784 30 10 ICEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1517827614 KOKIADQXLSAZBM-ZWKOTPCHSA-N 437.504 0.635 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(F)(F)F)C1 1519560934 AFFRVIOKBZSWKL-ZWNOBZJWSA-N 426.396 0.615 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC2)o1 1525599537 QZFUNJRHWRYTRX-IBGZPJMESA-N 440.522 0.817 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539200958 TWBNHECYHWZCGO-LSDHHAIUSA-N 425.580 0.939 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540871423 LLBWBJTWUPJEFY-AWEZNQCLSA-N 444.458 0.979 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](COC)C1 1540874484 IESWAOWNTKZQHQ-GJZGRUSLSA-N 448.549 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1540897135 BOCHEJXJRSVEEG-MCIONIFRSA-N 431.584 0.581 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnnn1C 1554327293 FUIJOJCWLAMIMF-ZDUSSCGKSA-N 432.286 0.952 30 10 ICEE C=CCOC[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OC 1556375913 WHZFXIYMPSRAAM-BIENJYKASA-N 446.522 0.129 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1588233701 OSOJEBYIZRPYAQ-KZNAEPCWSA-N 435.550 0.499 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1588764625 AZRAAVZJYLMCKG-QGZVFWFLSA-N 436.530 0.605 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1611518464 XCJWTMVHMKVLJL-ZFWWWQNUSA-N 425.894 0.837 30 10 ICEE C=CCC1(O)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 1620594570 UTNXCBOELDXGKO-UHFFFAOYSA-N 437.562 0.727 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1 1630349031 OENZUPNOZLGLIE-UHFFFAOYSA-N 425.463 0.315 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)s1 1633100240 YJNXESRMODZAIP-CYBMUJFWSA-N 436.577 0.417 30 10 ICEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1640217869 ACLGBBJYLWFZSN-GOSISDBHSA-N 435.550 0.429 30 10 ICEE CNc1cc(I)ccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646147997 OBUPHGJKXICGQF-UHFFFAOYSA-N 439.213 0.897 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)c1 1651944794 ODJUFTXPNVFSOV-LFUKPOHLSA-N 428.514 0.986 30 10 ICEE C[C@](Cn1cccn1)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(N)=O 1655844858 WBWYYJINNDQGIW-GHTZIAJQSA-N 427.484 0.265 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 1667418758 PGEFAZRFXOUXIS-UHFFFAOYSA-N 429.502 0.514 30 10 ICEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)c1 1684749604 IKMBUSNQHMIURO-QKNQBKEWSA-N 432.546 0.776 30 10 ICEE C#C[C@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1684778108 MNXCMRZFXTVCRP-INIZCTEOSA-N 437.518 0.901 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690668726 GYIORSVJNUPDCN-UHFFFAOYSA-N 426.525 0.962 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690668979 PDPZRDPICCAYME-UHFFFAOYSA-N 430.513 0.895 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1705831000 ZQEVVPVJPUETIL-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)C1 1705926142 YTOFKJKBHLDPMR-HOTGVXAUSA-N 443.570 0.817 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C(C)=O)CC2)C1 1705928059 AKVTUYFDFLKPAW-IBGZPJMESA-N 445.568 0.346 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C(C)=O)CC2)C1 1705928060 AKVTUYFDFLKPAW-LJQANCHMSA-N 445.568 0.346 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1705939331 CVONYIIOFJCOQD-GFCCVEGCSA-N 426.572 0.728 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1722295228 JPPVGAKTKQTAPE-WMZOPIPTSA-N 429.546 0.997 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722370043 FTODVJCEJGQNCC-SFHVURJKSA-N 427.553 0.432 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(O)CCOC2)n1 1722426804 CDCGKWNFORUUAA-JOCHJYFZSA-N 437.504 0.974 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1740615819 LUQRLZJUHRTKEZ-KGLIPLIRSA-N 436.538 0.191 30 10 ICEE CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1745286958 FXICZYXRBVMABO-GJZGRUSLSA-N 428.559 0.948 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748821405 QCWSZJMHGFYSPH-OAHLLOKOSA-N 426.564 0.435 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749650913 JGMPJNOTSCKEAH-VFNWGFHPSA-N 441.492 0.612 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1760187689 LKGPAKNDPDPODB-CVEARBPZSA-N 432.481 0.438 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760396640 GYQJNEMIUWZDMJ-KXBFYZLASA-N 428.555 0.954 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1761252569 TWXWURGSGXWJHH-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1764650664 AVVZVRRHKYRIEM-DGCLKSJQSA-N 425.540 0.684 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)COc3ccccc3Cl)C(=O)C2)C1 1856919063 IIXATNDTYWTIED-AWEZNQCLSA-N 440.909 0.317 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243687156 VATLIVLZEDSICH-SNVBAGLBSA-N 428.320 0.473 30 10 ICEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255694589 QCJAVQAZRULAEU-UHFFFAOYSA-N 436.318 0.735 30 10 ICEE Cn1ncc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2255829332 NFXMFPAMBWYSRK-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267271284 QYEYXIKQQJBWPL-KBPBESRZSA-N 448.329 0.876 30 10 ICEE C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509206511 ZAGOXLXEGQKOLL-GVDBMIGSSA-N 448.615 0.730 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749870721 UNEVMVHAFKCVPK-INIZCTEOSA-N 441.557 0.678 30 10 ICEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c[nH]1 753360341 URRAISNROAGHSH-UHFFFAOYSA-N 448.504 0.854 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CCN1C1CC1 754194140 SRGLHNRESIKXTO-LJQANCHMSA-N 425.489 0.733 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 803847463 GJKONXYPXRCONW-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)cc1OC 816692440 OHOXLSPTIJWURP-CQSZACIVSA-N 427.479 0.211 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152043254 WBTJBOOLAFROCW-WMZOPIPTSA-N 444.575 0.651 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4[C@H](OC)CS(=O)(=O)[C@H]4C3)ccc2c1=O 1184006641 SKBTVKVPKWDSLA-IMJJTQAJSA-N 435.527 0.755 30 10 ICEE C=CC[C@@H]1CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1184414616 CWYNETVUWITMIA-OAHLLOKOSA-N 427.548 0.912 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286399233 CAWQGSKNGBMJDB-SQGPQFPESA-N 435.550 0.689 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1286437887 SOEVUJQPNXZPKV-IBGZPJMESA-N 425.555 0.814 30 10 ICEE C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777612 IOOHYXJSUHKUJR-JOCHJYFZSA-N 448.568 0.486 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1286787851 KIDLGTCNVCPVRO-QGZVFWFLSA-N 437.508 0.483 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301474633 DHGKNGUHZPJCNZ-HNNXBMFYSA-N 429.525 0.311 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1301969692 ZUZGYODLWPOYHV-DLBZAZTESA-N 437.570 0.469 30 10 ICEE O=C(NCC#CCO)N1CCN(C(=O)c2ccccc2I)CC1 1313191076 LJLMIQONFBEDAA-UHFFFAOYSA-N 427.242 0.754 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1315008036 PJFJOPVJVUZPDK-ZWKOTPCHSA-N 426.477 0.573 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359029483 YVCHZSRZONAOPN-ROUUACIJSA-N 439.520 0.732 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1359342939 IFSPMQIBJFDXDZ-JYJNAYRXSA-N 443.595 0.898 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1359474219 OSKNSRPYPODCQW-STQMWFEESA-N 436.485 0.489 30 10 ICEE C#CC[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1470488584 WBSKDNUOVIWVRZ-HOCLYGCPSA-N 435.502 0.242 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1479079567 YQOVXQMDSKRNNW-HZPDHXFCSA-N 443.570 0.569 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632637 OOTLSWIBSAXMMF-KSZLIROESA-N 448.593 0.588 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1507666420 BXNLHDXZIDOPEI-UHFFFAOYSA-N 429.484 0.957 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCOC2)CC1 1507904473 YFHBEKOWMGRARV-QFBILLFUSA-N 441.554 0.165 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508142871 BSXTVTJALSNSAI-HOTGVXAUSA-N 433.490 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1508146217 VKSAEEGVBGVKKD-UHFFFAOYSA-N 447.627 0.986 30 10 ICEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H]1C 1517710263 NKYXWIHVMNEVEW-AWEZNQCLSA-N 447.521 0.643 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1519447263 CPCFJWZZMBTDLC-YRPNKDGESA-N 448.568 0.968 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1539052038 BFLUXNNRTJCPKN-HNNXBMFYSA-N 437.570 0.686 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1539118287 LECDRIFWQGLMLM-GRDNDAEWSA-N 443.572 0.688 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1539256905 ADNCEYBPCYIUSM-UHFFFAOYSA-N 433.563 0.130 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1540910125 YNSXLLBCUPHWDJ-ZDUSSCGKSA-N 444.583 0.886 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1587975243 UBSLWJTXOBQUDZ-INIZCTEOSA-N 448.487 0.733 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1588613001 PPXARSYFLPHOAH-SFHVURJKSA-N 449.519 0.922 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1594784006 OCCLZTPCXNUDMF-ARFHVFGLSA-N 440.570 0.728 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1619623359 XLVQAMNDSJHNSE-WWGRRREGSA-N 434.469 0.037 30 10 ICEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 1630038804 JBFNOROYEGYVSY-UHFFFAOYSA-N 434.514 0.861 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)CC1 1636475564 NNIJKDKWAGRENB-UHFFFAOYSA-N 430.486 0.865 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CC1 1660463901 IHADCNZYDVGIRC-UHFFFAOYSA-N 429.445 0.197 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690343857 GADHTLVJMPAECB-HNNXBMFYSA-N 438.916 0.042 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1690660606 KZTRPUFPPVLDLR-CYBMUJFWSA-N 444.558 0.026 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1696913678 IBIZYGQXSFEHFH-OPAMFIHVSA-N 441.536 0.614 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1705525108 YSAUYJGDGPJDCS-OAHLLOKOSA-N 432.554 0.727 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1705582523 CQAFKZVNVSLRSJ-QFBILLFUSA-N 437.591 0.970 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1705612280 DHROFUCOYNCSTJ-QGZVFWFLSA-N 446.533 0.218 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1705736935 GSVUCACZJBGVGD-IRXDYDNUSA-N 443.570 0.676 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705937268 OPUXTOZWCZJNJP-INIZCTEOSA-N 432.550 0.922 30 10 ICEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1CC(=O)N1CCOCC1 1722427584 QOHUTBYLTJOLHP-UHFFFAOYSA-N 431.468 0.941 30 10 ICEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729206319 DZNXVQWRXRFIQK-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622480 DFDWTODQPIQBAM-MJQMVNBJSA-N 449.577 0.917 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749033981 TWSSBABHFLYZMW-INIZCTEOSA-N 447.565 0.170 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1749668914 GKJWYVZAOHOWOC-JKSUJKDBSA-N 438.554 0.150 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189340 HYNTWKRCHWFMFK-GOSISDBHSA-N 444.561 0.759 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1760194919 SQDWEBNYVPLJNA-ZWKOTPCHSA-N 436.582 0.318 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1760195124 WZXIMDRJQCEUHH-INIZCTEOSA-N 438.517 0.590 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1760205737 ILFROFILYJASEC-RBUKOAKNSA-N 432.594 0.279 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCOCC2)CC1 1760268199 NKVZDEKMQBRCMC-SFHVURJKSA-N 439.564 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)C)CC1 1760269110 YKUJFHRMDMRSGC-UHFFFAOYSA-N 426.525 0.417 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1760522265 PDOCCIAODCZPNH-OAHLLOKOSA-N 428.559 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760557258 FUFUXSHHQZJDMQ-IXDOHACOSA-N 437.566 0.863 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1760688939 QDCMXJZVJHOSJG-ATZDWAIDSA-N 441.554 0.464 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1770744013 DGGPUBJURYDJDE-KRWDZBQOSA-N 443.533 0.948 30 10 ICEE 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 2213501038 UQIXGLWNYOGQFU-JJXSEGSLSA-N 441.525 0.750 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598427 WPRSRXILHAFIJK-OCCSQVGLSA-N 436.318 0.667 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267270926 OZRGDRVZDRSTTI-KBPBESRZSA-N 447.345 0.957 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884009 IWTBWIUCROVUGT-CYBMUJFWSA-N 427.332 0.554 30 10 ICEE C[C@@H](C(=O)NC[C@@H](O)COc1ccc(I)cc1)n1cnc(C#N)n1 409635106 IYQZQCLGIGZINJ-CMPLNLGQSA-N 441.229 0.871 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C 462441176 NTQJDPBDKYNERG-UHFFFAOYSA-N 443.525 0.668 30 10 ICEE CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488264504 OHJGMRIRQKQYGO-LJQANCHMSA-N 426.521 0.465 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 517660937 BEUSAAFEYJSEKY-IBGZPJMESA-N 426.521 0.315 30 10 ICEE Cn1ccnc1CN1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 543106256 QHTWUMGPFSQBFU-QGZVFWFLSA-N 429.502 0.514 30 10 ICEE COc1cccc(N2C[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2=O)c1 562121750 KCIHFJZUUBVNLB-HNNXBMFYSA-N 428.470 0.767 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCN3CCOCC3)c2=O)o1 590927655 ONSAQMFMGPHGNM-UHFFFAOYSA-N 444.557 0.419 30 10 ICEE CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 611207827 AYLKKMXPYGTGFP-INIZCTEOSA-N 445.476 0.965 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)c1C#N 615953974 HZOGAZJYNYPSIS-JLTOFOAXSA-N 428.497 0.152 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)c1 679000238 JARLDCYWQFZQDR-UHFFFAOYSA-N 442.541 0.828 30 10 ICEE C[C@H](NC(=O)c1ccccc1)C(=O)NCC#CCNC(=O)[C@H](C)NC(=O)c1ccccc1 681341385 YKTBITNRUXNRMA-ROUUACIJSA-N 434.496 0.859 30 10 ICEE O=C1CN(c2ccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2Cl)CCN1 732419254 CSVUNYZJTLPLBD-ZCXUNETKSA-N 432.868 0.924 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCCO1 732561848 UXDUBRDQAHIANM-INIZCTEOSA-N 429.546 0.725 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cn1 794580599 XRFRTPLVDIPLMR-SJORKVTESA-N 442.541 0.804 30 10 ICEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 800047322 JSFXPHPKIIORES-JTQLQIEISA-N 445.347 0.227 30 10 ICEE C#CCOCCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191714 FWWYBZFPRFYEMU-UHFFFAOYSA-N 432.531 0.743 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)cc1 856701369 ZNEWKYFTTRWZIL-FQEVSTJZSA-N 432.502 0.753 30 10 ICEE CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 919025487 YXFWXRRYDFFFDL-OAHLLOKOSA-N 426.495 0.998 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286391883 JOSNWZKQURCDEK-UYAOXDASSA-N 448.637 0.883 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1286394911 XYSFKAKJPLHNTB-CEXWTWQISA-N 445.545 0.431 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1300465506 NNFJDYNUETYXCV-QGZVFWFLSA-N 435.554 0.584 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1300991087 PENSYVGUJLNLJI-MAUKXSAKSA-N 442.517 0.646 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1301518914 KWAZGSOMTJOJCP-VGSWGCGISA-N 446.552 0.824 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1437438249 AWKPCGUOIMXBIA-UHFFFAOYSA-N 435.502 0.224 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1463732363 GAHKBFIEEXQSTE-SFHVURJKSA-N 436.534 0.982 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1507656578 KNSQRKMHQPPVGH-UHFFFAOYSA-N 433.559 0.646 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1509820714 XOUMGRXJWVKQQD-BBTUJRGHSA-N 434.541 0.768 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1517326060 IBGBXXVFFKLRIH-UHFFFAOYSA-N 433.538 0.134 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539202151 GKVQVAJUSGWWJD-DLBZAZTESA-N 437.566 0.667 30 10 ICEE C=CCCCn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539991856 SUYGZLFYINVCAG-UHFFFAOYSA-N 437.508 0.773 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1588129169 YLFBPGNMXBRDBL-OAHLLOKOSA-N 429.502 0.903 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1 1589694697 QLESSJUPOJRVNH-BXWFABGCSA-N 428.555 0.954 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1595799040 VXHQBYLQKULISM-LSDHHAIUSA-N 446.595 0.785 30 10 ICEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1631992905 PHIAXRCQFCOKFU-YCPHGPKFSA-N 437.518 0.978 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1644285324 NDLLLNKRKVHBOA-INIZCTEOSA-N 428.555 0.778 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)c1 1650968426 OOQDJKFBWIHUNI-UHFFFAOYSA-N 438.502 0.945 30 10 ICEE N#C[C@@]12CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]1CS(=O)(=O)C2 1655683960 SXKVNYWQIJHYKB-KXBFYZLASA-N 433.490 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(N2CCNC2=O)CC1 1690729846 TZFQSMIMBQJVFB-UHFFFAOYSA-N 426.543 0.409 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1705570692 SOTNSRMTGZPWRC-QGZVFWFLSA-N 428.518 0.193 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1 1722387957 SSRRSXMQESDBQR-SFHVURJKSA-N 426.521 0.472 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)CC1 1722431943 QOQSJOPSOMKVGR-SJORKVTESA-N 444.561 0.820 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740758402 XFAZKCUNYJXNDJ-DOTOQJQBSA-N 435.554 0.741 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1748671279 IEMQMORJAUKXMH-JYJNAYRXSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748814616 HMJOSDSYPBAKRQ-ZIAGYGMSSA-N 435.506 0.667 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1750075574 GBAPDOMZXLRWIB-WBVHZDCISA-N 433.538 0.845 30 10 ICEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1760240222 KXZWMDFUNVKBGG-BBWFWOEESA-N 425.555 0.886 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1762296421 KARBHKZFIUFXGE-KGLIPLIRSA-N 430.494 0.351 30 10 ICEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593705 GIKIMFVRAHSTLF-UHFFFAOYSA-N 441.536 0.348 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)C[C@H]3CSc4nccc(=O)n43)CC2)CC1 1889342139 RYTVHSSOIDJOMX-SFHVURJKSA-N 445.589 0.539 30 10 ICEE CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O 2049382410 NJRBYZYPWGSMGI-UHFFFAOYSA-N 448.469 0.185 30 10 ICEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608891 PZFKNALKRRRTCF-INIZCTEOSA-N 430.314 0.764 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 2286047808 JHCBYFIYBUYKFO-BXWFABGCSA-N 437.474 0.399 30 10 ICEE NCC#Cc1cccc(F)c1CCNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2289621132 BSTCEXGZPLRFKV-UHFFFAOYSA-N 429.473 0.894 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 505699526 JFEPBMRLSQVWSL-INIZCTEOSA-N 441.557 0.693 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCCC(=O)OC)c1=O 533120459 WXDFAVCVWKOJCZ-UHFFFAOYSA-N 428.514 0.952 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 544113307 OQGLMBSYLAHIAS-INIZCTEOSA-N 440.547 0.541 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 588152442 TZJDQGNFJJRKLK-INIZCTEOSA-N 426.542 0.755 30 10 ICEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@H]1CCS(=O)(=O)C1 729332221 WNAVIBTVXPREOA-ZDUSSCGKSA-N 434.923 0.784 30 10 ICEE C#CCNC(=O)c1ccc(N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nc1 770126277 NFXXZBDXNIZVBK-IBGZPJMESA-N 435.532 0.804 30 10 ICEE C#CCN(C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774027081 XILSOKIELJPXPN-SFHVURJKSA-N 434.518 0.612 30 10 ICEE C#CCn1ccc(CN(CCOC)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 789322682 NASRLEKINFCFGG-UHFFFAOYSA-N 430.509 0.641 30 10 ICEE CN[C@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)[C@@H](OC(C)=O)[C@H](C)CC=O)C(C)C 1083140867 VISBGPYNPJUPAI-XLSIIYIISA-N 441.569 0.944 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cc1 1125087655 OGADNUNLADMHRC-UHFFFAOYSA-N 438.531 0.950 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1175515349 YFCHOABKJCSIJN-HNAYVOBHSA-N 426.539 0.245 30 10 ICEE C#CCC1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1175853838 JRGICNYJNAPERS-UHFFFAOYSA-N 447.557 0.677 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286825887 ZATZFAXQFGEAPD-LSDHHAIUSA-N 447.583 0.248 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1300578262 KDENQHBUKNVAQR-ZWKOTPCHSA-N 435.550 0.499 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301493453 ZDYADTNFVQKPSY-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301587404 OFQYZMVFRYGIEK-QGZVFWFLSA-N 445.549 0.421 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1301589830 YCXWNUQQLMOEOH-HNNXBMFYSA-N 441.554 0.244 30 10 ICEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302457847 DRPIJAMPHCTBSX-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C#CC[C@]1(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1304149438 YQFQXGOXERBLKV-IVZQSRNASA-N 445.520 0.974 30 10 ICEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1312490400 OCSJNMZUKGBNOY-GUYCJALGSA-N 432.568 0.159 30 10 ICEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358921033 NCYPDGQCOYWUOP-GOSISDBHSA-N 434.541 0.990 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1359034389 OSILJHPKEHIPRE-UHFFFAOYSA-N 434.504 0.827 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(N)=O)c2)CC1 1359040294 OIIXPHDRSDZPPP-PMACEKPBSA-N 438.532 0.905 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNS(C)(=O)=O 1359233954 XBYNYCIUQJCKTA-UHFFFAOYSA-N 442.567 0.367 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1360348064 RVKGOWWJYFXNHF-IIBYNOLFSA-N 448.524 0.330 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1 1464335962 GXAXNBHUQUCJLI-UHFFFAOYSA-N 435.527 0.997 30 10 ICEE CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1501901044 BLPIJQPWSDEOPX-VXPUYCOJSA-N 444.540 0.103 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507571632 IKMSPKKJXGVGIC-GOSISDBHSA-N 429.569 0.964 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1507654375 ZYQJSNPADOUBGF-QGZVFWFLSA-N 428.474 0.197 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCOCC2)CC1 1507716609 SIRQVKWZKXCEIW-UHFFFAOYSA-N 429.569 0.380 30 10 ICEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1546793304 HVDOQOLASJUZRC-ZLKFPQNLSA-N 449.581 0.754 30 10 ICEE C[C@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccsc2S1(=O)=O 1564875323 VKAIQGQWQKFJQQ-XALPAYFRSA-N 429.545 0.935 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588054665 PIXTXRMXODDDCO-KURKYZTESA-N 448.593 0.730 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)CC1 1588741446 CHIHIXLHTRJDOM-QGZVFWFLSA-N 437.614 0.518 30 10 ICEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1593695470 FIPIVCAHTHYTPM-MRXNPFEDSA-N 446.556 0.851 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CC2)c1C#N 1612469422 ADXNYKNKFLZABX-QGZVFWFLSA-N 441.540 0.632 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1612877882 HDWQELSACQAHSK-DPHDRGAJSA-N 436.476 0.533 30 10 ICEE N#Cc1ccccc1NC1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1647923000 JZAXBSDNEJUDRB-WMZOPIPTSA-N 430.530 0.997 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1689931636 DJLDCJQKFMOYSX-VQIMIIECSA-N 439.538 0.020 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 1690111714 IITUGLUYXRFSLX-ZIAGYGMSSA-N 432.497 0.068 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1690175116 QCQMGWBWWZEVHV-INIZCTEOSA-N 449.606 0.607 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690659110 KBVZHWBDRCXWLZ-QVKFZJNVSA-N 441.492 0.612 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705532323 LQSFQODLNUHYAF-QGZVFWFLSA-N 436.582 0.240 30 10 ICEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1705885124 IROJLVIEWOWGPC-MRXNPFEDSA-N 425.555 0.864 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1722462783 XZHZLZGGRGNOAR-HOTGVXAUSA-N 443.595 0.450 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1722704857 YGSKLNUIANKFEY-DYESRHJHSA-N 429.525 0.409 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1731181692 IZQCUXLCZUWUPV-IRXDYDNUSA-N 425.511 0.922 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740615878 MXEYLWNFJLOGNR-QGZVFWFLSA-N 443.529 0.895 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740952244 YHICKQBYTMXHTC-GJZGRUSLSA-N 442.586 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749732083 OZVOAQFPFZYDEA-HNNXBMFYSA-N 436.538 0.523 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1760189587 JTMPYZAFOLWTAU-SJORKVTESA-N 445.520 0.913 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760190551 RWYGOIHCOSQLDT-QZTJIDSGSA-N 431.518 0.306 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)NC)C1 1760545859 CUDNLERGPRSLSF-HNNXBMFYSA-N 426.568 0.964 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1767511048 YXOGEYOXGOTKPI-FQEVSTJZSA-N 432.550 0.754 30 10 ICEE CN(CC(=O)N1CCOCC1)C(=O)CCON=C(N)c1ccc(Br)cc1 1853440804 MYIQXFKYGGEJEL-UHFFFAOYSA-N 427.299 0.793 30 10 ICEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3=O)CC2)cc1 1855449226 XQNNGNQSUVAXAO-QFBILLFUSA-N 431.514 0.964 30 10 ICEE COc1ccc(CCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856870420 CWEUFTHXLRBNRP-QGZVFWFLSA-N 434.518 0.226 30 10 ICEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)n1 1857969637 LXVVVDPOPYIYCJ-UHFFFAOYSA-N 440.485 0.821 30 10 ICEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC(=O)N2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1892256633 URZAHFAXOFOTJL-VQTJNVASSA-N 430.530 0.927 30 10 ICEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248395924 SKJJFGPMZZNXCC-UHFFFAOYSA-N 437.291 0.977 30 10 ICEE Cc1nc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255799251 FJZJTVXAHKQSPR-UHFFFAOYSA-N 448.354 0.704 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)n1 2282507821 MOURKLXSUVDZQK-CYBMUJFWSA-N 427.332 0.493 30 10 ICEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@H](O)[C@@]3(O)[C@H](C)O1 257519166 QBQXQYSJPWXZJL-WSWSCVATSA-N 444.392 0.288 30 10 ICEE biogenic C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447282158 WVMLZIZYTBCDMP-UHFFFAOYSA-N 442.447 0.608 30 10 ICEE COc1ccnc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 487183855 XFNDQXKHGJZEHN-SFHVURJKSA-N 435.488 0.990 30 10 ICEE N#CC1(CS(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)CCCC1 545385592 DPTPLCBBZHBOEF-KRWDZBQOSA-N 433.596 0.612 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)C1 619852798 CDZKTJWYCUASGJ-FRQCXROJSA-N 438.554 0.920 30 10 ICEE CC(C)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)CC1 733974569 VPLHFRHYIGPUOO-UHFFFAOYSA-N 426.564 0.074 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)c1 737253644 DUKALHVNIPULEF-BWAHOGKJSA-N 444.517 0.483 30 10 ICEE CN1CCN(C(=O)Cc2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)CC1 746638554 FBIYDFJMUKHBHU-DQRAZIAOSA-N 425.489 0.858 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780944984 YRLBHWQGGNIBSA-LJQANCHMSA-N 427.482 0.980 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 788836434 OKUCMUXDLJZDSX-UHFFFAOYSA-N 426.498 0.694 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CC#N)CC1 816290641 KDVJGPGRPIFPGE-MRXNPFEDSA-N 431.518 0.868 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCN1CCOCC1 917769544 DUIFDXLZYDEOGE-UHFFFAOYSA-N 438.509 0.430 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(I)cc3O)C2)c(=O)nc1O 1180999766 FHZSFCRTYKIIOM-UHFFFAOYSA-N 438.181 0.828 30 10 ICEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286499795 OVQPWYJXIWWPNK-INIZCTEOSA-N 440.529 0.467 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286779207 FWKYXVZFRDBILO-RDTXWAMCSA-N 440.504 0.979 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1296330286 RIOBCYZWOALDRF-SJORKVTESA-N 443.533 0.613 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1300270116 BECPWFXYQXGWSP-IRXDYDNUSA-N 438.598 0.991 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)CC1 1300699921 JRGGIUSBIYSISA-LJQANCHMSA-N 434.610 0.811 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1300763513 QGAJGIBCQYAYRA-RDJZCZTQSA-N 434.591 0.723 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301045756 WVZYLQFOBZTUOY-QWHCGFSZSA-N 442.929 0.405 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305514671 PGAOGTTVTULKKU-LZICOFPGSA-N 445.524 0.613 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1358964151 URFHOZJYPRPGJV-WBVHZDCISA-N 433.538 0.170 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359291300 LKHBENMMQAHICX-NRFANRHFSA-N 430.484 0.956 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1=O 1452992622 CHGUXIMCWGRRLJ-LBPRGKRZSA-N 438.362 0.600 30 10 ICEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 1505320283 WLGQQIDYNPXZLX-QGZVFWFLSA-N 440.508 0.221 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1507654325 YTIPDUGVNZQCTL-RBUKOAKNSA-N 448.593 0.558 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1539417062 XOIQQIICENUOHB-HNNXBMFYSA-N 443.595 0.593 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540873465 YPDTZDAEWYRHFD-UHFFFAOYSA-N 437.483 0.822 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1540875920 BSDRUAQWPPTLGO-AWEZNQCLSA-N 433.513 0.589 30 10 ICEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(C)(=O)=O 1548372675 TUTHWHDVZCNNRB-OAHLLOKOSA-N 434.440 0.790 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1557385929 MOSDFLWBUTZWBM-RBUKOAKNSA-N 426.448 0.792 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)CC1 1588752008 PJLOMJRXZBEKSF-RTWAWAEBSA-N 435.594 0.942 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 1588835518 ACLJIJAIPINRIG-GOSISDBHSA-N 448.549 0.316 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCC2)CC1 1588961534 CURAWXXEVFOUCK-UHFFFAOYSA-N 428.537 0.671 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c3cc(OC)cc(OC)c3c2=O)CC1 1615208932 JQQWJAWQSIVXLV-UHFFFAOYSA-N 426.473 0.443 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)CC1 1616926779 GHPTWLRQZDTRBE-UHFFFAOYSA-N 440.013 0.937 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CC(=O)OCC 1628849197 BHJRSLGDXFTTGT-HIFRSBDPSA-N 425.507 0.714 30 10 ICEE C#CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cn1 1640012797 MBZOKQDXPWLESV-GOSISDBHSA-N 432.502 0.862 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1 1645477429 MQMIAKBOFVTYBS-SFHVURJKSA-N 436.534 0.688 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1698246619 WWBUGGQVHLVXAK-RFUYNDQBSA-N 432.460 0.597 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698309304 NFXSKWMWMIAOGW-GOSISDBHSA-N 445.549 0.578 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705694635 SFDATFWUBMETSZ-FAJBIJEISA-N 447.536 0.856 30 10 ICEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705734531 RYLNQYVBXJJLHU-UHFFFAOYSA-N 427.509 0.793 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908597 DYHZMNTUWFONPZ-RTWAWAEBSA-N 448.524 0.652 30 10 ICEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1706928396 BLEDOGIXDRAOFG-UONOGXRCSA-N 438.485 0.835 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2OC)CC1 1722441468 RDNNNEWLTJNJML-UHFFFAOYSA-N 440.552 0.509 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC(C)C)CC1 1722582291 NNEQFEYKPXROJJ-INIZCTEOSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nccs2)C1 1722702894 SWFCNLGUEWNNSI-CQSZACIVSA-N 431.522 0.737 30 10 ICEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1723120048 SJWPSNZSSNVTBA-HTAPYJJXSA-N 437.504 0.371 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740579287 MKYIOVGTLHLNEX-MRXNPFEDSA-N 427.509 0.694 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)C(C)(C)C)CC1 1740704919 WIDNXYCYEZAMSD-UHFFFAOYSA-N 438.536 0.863 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1748875879 YIRJIJOIVVSJAG-INIZCTEOSA-N 426.502 0.823 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749737183 YVLFIJNZJIREDV-QGZVFWFLSA-N 445.549 0.421 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750011979 FKLCWJLNQFVNLD-QFPXGYFVSA-N 431.497 0.269 30 10 ICEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1751652084 AYNHNKQXVJBUHW-IRXDYDNUSA-N 439.476 0.883 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1760110369 CSMXAGJPTBFGSL-INIZCTEOSA-N 449.515 0.899 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760191404 GTLSCGJOFFMHOQ-KRWDZBQOSA-N 435.550 0.620 30 10 ICEE CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764900877 VBXWVCWSBWPBMD-HNENSFHCSA-N 444.540 0.951 30 10 ICEE [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCC=O 1857791874 MDBICGYCCGZSLH-UHFFFAOYSA-N 437.490 0.628 30 10 ICEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255839360 UTBJNANDYHODQD-FQEVSTJZSA-N 436.318 0.781 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)[C@@H](C)C1=O 2286055819 MFWGGGXQPAZPMI-GOEBONIOSA-N 439.490 0.415 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 492322476 ZWFPQVMBQJXIQM-MRXNPFEDSA-N 440.591 0.738 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 537759048 KLWZXWNHZWZAPO-UHFFFAOYSA-N 427.442 0.431 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 577307092 JRQPOXRXODBLOZ-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1 605233686 WHPAYFMQUYZKTG-IBGZPJMESA-N 429.569 0.222 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)cn1 735068226 FOFTZFIWPKETKH-UHFFFAOYSA-N 429.546 0.723 30 10 ICEE CNC(=O)C[C@H]1S/C(=N\CCCN(C)c2ccccc2)N(CCc2nnnn2C)C1=O 771542780 KVHAVBXRYNUXBK-BLRPHQBRSA-N 444.565 0.715 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 774179165 MLCFSQMCXWRCTR-MJGOQNOKSA-N 432.546 0.720 30 10 ICEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(NS(C)(=O)=O)c1 917129358 FOQIBPALVGNBBG-GFCCVEGCSA-N 436.515 0.974 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)CC1 1171417143 QDTIIRPQYOPUGS-RBUKOAKNSA-N 430.553 0.490 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1276908617 BQBLDLOVCHMUAV-LBPRGKRZSA-N 435.483 0.076 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286394822 WYKPREBLNIYZIY-LJQANCHMSA-N 448.593 0.021 30 10 ICEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1299829944 KGOVSOQRQSSPJI-INIZCTEOSA-N 447.561 0.537 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CC1 1300700284 NXVJHOWGNBFENP-JKSUJKDBSA-N 441.648 0.784 30 10 ICEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1338929049 QUBCTCSPGNXIGL-INIZCTEOSA-N 430.548 0.982 30 10 ICEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1471822449 HKRXEFGMCHOZAE-HOFZKYPUSA-N 442.559 0.529 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1477719795 PMNNCPCHWOSVTH-MRXNPFEDSA-N 443.570 0.428 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507622177 GSYVSIUBOPEFSG-HUUCEWRRSA-N 443.595 0.705 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507634990 OVVZKUYEYPTPRP-QGZVFWFLSA-N 430.534 0.417 30 10 ICEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1507849220 UXVDYLRCBZMCJK-OAHLLOKOSA-N 425.515 0.681 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1512435926 ULECAVHDUJRNQQ-AOMYARPXSA-N 436.476 0.533 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1539265176 CUMQPQICGOECGF-OAHLLOKOSA-N 449.562 0.086 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1555078394 MHDJLHKJGSHNEA-KRWDZBQOSA-N 449.533 0.667 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1595477783 ZPACFIDGUJRPSF-CABCVRRESA-N 428.559 0.443 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1595811951 IGRIHTXPHBOHDM-OAHLLOKOSA-N 443.533 0.429 30 10 ICEE C#CC[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1625387561 NNMVWKFYMNVYRB-WCQYABFASA-N 435.424 0.118 30 10 ICEE CN1CCN(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)CC1 1625443219 JSAWWSYWQOHXNF-UHFFFAOYSA-N 427.477 0.286 30 10 ICEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)OC(C)(C)C 1628555511 SXUXGBRIHSMDHR-UHFFFAOYSA-N 439.538 0.560 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1690096360 RWGUTRCOBBYNAC-FQEVSTJZSA-N 434.518 0.586 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1690146877 ZTDPAKLNECQOBC-QGZVFWFLSA-N 449.577 0.715 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705902446 FIAISMLDKFOCSX-CVEARBPZSA-N 425.555 0.878 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1707951887 GEJGKKPBELHLAW-VLIAUNLRSA-N 444.517 0.033 30 10 ICEE CCN(CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1710066748 KPWGLYKYXLSWSO-IRXDYDNUSA-N 440.570 0.267 30 10 ICEE CC(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723151125 WDGRGTGAQQRIFI-VLGSPTGOSA-N 436.538 0.941 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1723778332 OQVHIPCFTYYWEE-ORIGZDJFSA-N 426.481 0.665 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1740622264 BHZVLTAJYDKCTO-KRWDZBQOSA-N 430.534 0.801 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740626400 XKLRTSWGJDFJIP-KRWDZBQOSA-N 445.549 0.003 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740950632 BHBANBJKKAVLNT-MRXNPFEDSA-N 431.541 0.700 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740951083 PNSCCGJYXCOVFH-IRXDYDNUSA-N 434.541 0.883 30 10 ICEE CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744674599 JJOHJNVDZNQABI-MGPWXQLLSA-N 436.538 0.770 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1748859301 RYIFGTNTKJZMPB-DLBZAZTESA-N 437.591 0.970 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749682922 CYARMRDBNGOFDC-GGXPGOJBSA-N 432.525 0.552 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1760197072 PRIZTCWLSXDYPA-UHFFFAOYSA-N 443.485 0.866 30 10 ICEE CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764826708 KEKNTUUJUMRPQD-UNEBPCJRSA-N 442.568 0.583 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)[C@H]1c1ccc(C#N)cc1 1889307442 CKBNZWJNTNWEJZ-ONIAQPFYSA-N 426.498 0.683 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267194808 GRCGTARSCBXVBM-UHFFFAOYSA-N 448.329 0.878 30 10 ICEE C=C[C@@]1(O)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270518872 MGJCILLYVLHSJV-QFBILLFUSA-N 426.491 0.797 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO2)CC1 562762114 XNMFCKQOQCDJOA-QGZVFWFLSA-N 431.541 0.117 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 735923304 QOLUVSMUKFBBFC-UHFFFAOYSA-N 444.351 0.904 30 10 ICEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 763609788 DROXYEAYYLNDED-CYBMUJFWSA-N 425.470 0.640 30 10 ICEE COc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)c(NS(=O)(=O)C(F)F)c1 769654901 UYLUEUWDJXDMFI-UHFFFAOYSA-N 438.478 0.926 30 10 ICEE C#CCN(C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)[C@H]1CCS(=O)(=O)C1 774037641 FJJGFPNWAJXTHE-INIZCTEOSA-N 435.502 0.822 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 799763954 NYNPVFFUEDHTIR-GFCCVEGCSA-N 435.321 0.359 30 10 ICEE N#Cc1ccc(C2(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCOCC2)cc1 1132134903 ZQJAFQIZMABGNB-KRWDZBQOSA-N 444.513 0.846 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)c2cccnc2)CC1 1190146047 CTFUSUAVQPIXKK-UHFFFAOYSA-N 434.499 0.260 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nnn(C)n2)c1 1300334244 JCKLVMVVOWUKSZ-MRXNPFEDSA-N 435.492 0.800 30 10 ICEE CN1CCn2c(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2C1=O 1303244697 HIKWFLDDEHWEBV-ZDUSSCGKSA-N 441.879 0.601 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1Br 1306455596 ZFPQZVSGOKKNFM-UONOGXRCSA-N 428.308 0.236 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)C)CC1 1359030738 DNNGATGZMFSHHK-UHFFFAOYSA-N 434.342 0.890 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359297940 HJJRWWZSDNXZFY-UHFFFAOYSA-N 425.497 0.599 30 10 ICEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1441314479 RKCZUBOLGICVPJ-NVXWUHKLSA-N 447.517 0.551 30 10 ICEE Cc1[nH]nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1I 1457198238 IDDWSFRRYRYOIG-UHFFFAOYSA-N 426.174 0.154 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 1469018749 HZMYHSXJMCZGAM-UHFFFAOYSA-N 432.502 0.791 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1cccnc1 1532606788 FBBMOXSSYWGZFO-NXHRZFHOSA-N 429.477 0.951 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCS(C)(=O)=O)CC1 1539480947 HDSJAZVDXRUTIM-KRWDZBQOSA-N 437.566 0.920 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1539496905 JBFJXAKLPWKLBH-HOTGVXAUSA-N 426.612 0.929 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1540897402 IGQSQKRJJWHRTO-OAHLLOKOSA-N 426.543 0.122 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3noc(C)c3C#N)CC2)cc1 1557399263 RLPHBALCVARRNW-UHFFFAOYSA-N 447.517 0.674 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1565589983 HVYHTDVVMZTXIF-UHFFFAOYSA-N 425.449 0.132 30 10 ICEE C#CC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1585304877 BPQYIEPDFXLOII-MRXNPFEDSA-N 426.922 0.860 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1587766466 VKLXEXKVXBZKDE-HZPDHXFCSA-N 438.554 0.081 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1588985134 OPPVMHGGMNTDTD-ZBFHGGJFSA-N 442.611 0.559 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1595467436 UNYLQIVFIOBCOP-NRFANRHFSA-N 430.484 0.956 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595784891 MPXJYNDYLFJWOE-FUHWJXTLSA-N 449.581 0.436 30 10 ICEE CC(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603411697 YCUJFOVFWYWDAO-SDCCCIRJSA-N 427.509 0.718 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1611124984 QXWPOFVYHFILFM-BBWFWOEESA-N 445.582 0.850 30 10 ICEE COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nc1I 1633550051 JIBKTRYBENKYIV-UHFFFAOYSA-N 441.185 0.259 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)c3c[nH]nc3I)CC2)c1C#N 1634181991 WUAJUHDSDWCEJG-UHFFFAOYSA-N 425.234 0.890 30 10 ICEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OC 1655132562 XCQZVPKRQBOUOM-LLVKDONJSA-N 427.401 0.340 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 1668811535 BQRSMEXSDWOQKU-CYBMUJFWSA-N 428.486 0.699 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F 1690009003 UFXVQONHHMHRQH-UHFFFAOYSA-N 425.403 0.375 30 10 ICEE CC(C)(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1691313332 HXYRGICSTCSZBD-HUUCEWRRSA-N 442.542 0.155 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705922157 HJANZDBDZNDDIM-RDJZCZTQSA-N 435.554 0.741 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1723478049 GRGNSUWYUGUYTF-ULQDDVLXSA-N 441.602 0.983 30 10 ICEE COc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1730090804 NQODJNRKYXKKSG-ZZEZOPTASA-N 437.460 0.416 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1748847963 ZMGYAJCVXDGBCX-RBUKOAKNSA-N 433.578 0.754 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC(OCC)C1 1749054241 QIOQSSXXQMLTSO-MZMPVIPJSA-N 425.555 0.810 30 10 ICEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750104783 LGRHMNRCUITXAL-MRXNPFEDSA-N 427.465 0.427 30 10 ICEE CS(=O)(=O)CCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1750205098 DTLVYGLHCXOICH-FBMGVBCBSA-N 434.522 0.695 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)CC1 1760251469 BDZXBZIGNUEJCC-IBGZPJMESA-N 430.553 0.855 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1760260376 ZNSBUONHJUUBPS-SFHVURJKSA-N 438.598 0.599 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760450000 BHMMPKIPANNSIX-KFWWJZLASA-N 426.495 0.887 30 10 ICEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1760523086 LXKPKCRBOJTLII-UHFFFAOYSA-N 431.522 0.714 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1 1760547009 BKFYJAHKXWNOJL-UHFFFAOYSA-N 433.538 0.584 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)CC1=O 1853908404 PFRBQABLZVKEKI-AWEZNQCLSA-N 441.456 0.500 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3nnnn3-c3ccc(Cl)cc3)C2)CC1=O 1857302378 MAESKOVOZCPISS-INIZCTEOSA-N 428.884 0.474 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)n1 2255635281 GLYXNQNHMADHPT-UHFFFAOYSA-N 430.236 0.953 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 479387416 AEIHMQUAROVKGX-HNNXBMFYSA-N 428.514 0.522 30 10 ICEE C=CCn1c(-c2ncccc2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508827735 SEWZADFFFVOSFU-UHFFFAOYSA-N 433.538 0.534 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 512710237 PGDGLWOKFYICEP-QRVBRYPASA-N 430.549 0.799 30 10 ICEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 609101507 QHUJRBUTDKEKOC-LJQANCHMSA-N 433.534 0.248 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 728531600 LQJCXROBLNQFKD-IBGZPJMESA-N 428.508 0.500 30 10 ICEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 729330398 CKVZRBISECBSHB-QGZVFWFLSA-N 440.543 0.278 30 10 ICEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731862334 CUZNARMIVZUKNJ-HTXNQAPBSA-N 435.506 0.456 30 10 ICEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)CCn3cc(C#N)c(O)nc3=O)C2=O)c1 1137229278 HVBXYBCAHAIGIM-QGZVFWFLSA-N 441.444 0.492 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1286271264 REDIZQRNVXZSJM-INIZCTEOSA-N 430.534 0.951 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O 1286566226 REYKMJYATXVXIN-QAPCUYQASA-N 440.570 0.367 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COC)C1 1286814278 OVEVLKZWXNKZRQ-OAHLLOKOSA-N 434.522 0.999 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1300312373 ZGZWKIKYWNMGEF-BFHYXJOUSA-N 433.481 0.493 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)CC1 1300682316 GICBASGKSGIERN-GOSISDBHSA-N 437.614 0.520 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1301491077 DAIPMVUHFWZRCI-UHFFFAOYSA-N 425.537 0.814 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1315743369 HRVIBBBCJMPIDA-OAQYLSRUSA-N 442.545 0.980 30 10 ICEE C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1316483117 DSENZJAKWUDLAY-IPWSYGNPSA-N 443.508 0.134 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CCO1 1316537108 ACAYBOKIHRWOTH-CQSZACIVSA-N 437.913 0.758 30 10 ICEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1337649202 IAFNVQOYPPGYPH-LJQANCHMSA-N 435.546 0.999 30 10 ICEE CN1CCn2ncc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c2S1(=O)=O 1446027245 YHHFTYUXFFSMLC-UHFFFAOYSA-N 430.490 0.602 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)COc1ccc(C#N)cc1OC)CCS2(=O)=O 1456899586 XGDDBHLVDKMUCP-RDYUPDBUSA-N 436.486 0.961 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2nc(N)nc(Nc3ccccc3CC)n2)CC1 1459887103 QNBMNDDRSCMGBD-UHFFFAOYSA-N 430.538 0.345 30 10 ICEE C=C[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1472548104 UTXKHZQZCRPNHZ-CQSZACIVSA-N 431.536 0.052 30 10 ICEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)CC1 1473851290 CJKOPDUHPPKQCB-DLBZAZTESA-N 431.562 0.420 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1507791286 KGVRGXXZHMFMGR-IEBWSBKVSA-N 446.552 0.790 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507836358 IGYWSWJPATVQKP-QFIPXVFZSA-N 446.552 0.822 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1508072759 SBTFEWOZDHOWGI-AWEZNQCLSA-N 426.543 0.076 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1539205324 GQKTYZJAYXMGAH-OXJNMPFZSA-N 449.533 0.902 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1539750827 CZZQUSRVINZHQE-KRWDZBQOSA-N 427.571 0.541 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540871586 OZJMKSRWYJKTIG-JKSUJKDBSA-N 442.524 0.482 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c1 1554499550 AKSAWAGCFMHTMM-CJNGLKHVSA-N 431.522 0.924 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588064728 OABPLAZRCSGRQR-LJQANCHMSA-N 439.545 0.867 30 10 ICEE COC(=O)[C@]1(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CCOC1 1633316040 GCNQXXXMCOACAK-NRFANRHFSA-N 449.529 0.854 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1636004365 XKXTXSUNKPUMKH-UHFFFAOYSA-N 440.481 0.841 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)CC2=O)cc1Cl 1640668111 DQLHJNDZVAARAX-DZGCQCFKSA-N 439.925 0.739 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690155089 FNZJIVMNXKIAER-OAHLLOKOSA-N 440.533 0.848 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690508406 IGADRLRAQKRQON-IKGGRYGDSA-N 443.570 0.411 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1696577759 ATLIFELFZYRQAF-MSOLQXFVSA-N 441.540 0.350 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1705564841 QRKWQSACMCYCHN-QGZVFWFLSA-N 426.506 0.649 30 10 ICEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCNS(C)(=O)=O)CC1 1705641775 TXVHEFMMLFGQSS-UHFFFAOYSA-N 430.578 0.758 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1722373818 MVQXLHGZXVFXAI-JOCHJYFZSA-N 429.521 0.674 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCO 1722476100 YSBPRASVEDPRPB-VQIMIIECSA-N 425.555 0.766 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722566021 HXACERCYIMIPIJ-BXWFABGCSA-N 441.554 0.307 30 10 ICEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740875069 QIJTZZAOQKCENX-UHFFFAOYSA-N 440.508 0.209 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749082552 BERMSSLYGCMJAO-UHFFFAOYSA-N 449.375 0.843 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1749670414 SUYIHFHZOXZIJP-KRWDZBQOSA-N 444.561 0.939 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1749682261 PZJJOGFSSYAYFT-FQEVSTJZSA-N 435.529 0.084 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1749731940 NWALSFGGWNLENO-UONOGXRCSA-N 434.526 0.300 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCN(C)C1 1760200387 GFTNRGMUNDHYOQ-NRFANRHFSA-N 441.561 0.378 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629554 XMCWWRAZPBVKLF-OCCSQVGLSA-N 436.318 0.978 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 2267536779 MDCMQTLQVJKZIG-QGZVFWFLSA-N 436.325 0.964 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@H]3CCCCN3C(=O)[C@@H](O)CO)nc2)OC1(C)C 204888816 YLHLNFXUZJZIFN-SJORKVTESA-N 435.330 0.669 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 429131257 WOGCTSHVJITUEK-UHFFFAOYSA-N 428.942 0.873 30 10 ICEE COCCN1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1=O 469697565 JRWPWIQOEZWKRE-HXUWFJFHSA-N 431.512 0.715 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CC1 512714009 KUAYUMJUEZNBFI-IBGZPJMESA-N 444.532 0.755 30 10 ICEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 604537050 KHVMRRRTSCVXNR-UHFFFAOYSA-N 425.511 0.870 30 10 ICEE CN(Cc1cnccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 783936404 PRKIEBOJROEZMR-QJOMJCCJSA-N 430.490 0.887 30 10 ICEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)NCc2ccccc2)n1N 1084314079 CBBWKPGIHBDRCC-UHFFFAOYSA-N 443.537 0.652 30 10 ICEE COC(=O)CCN(CC(OC)OC)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1138150346 CGTVFUHCWHUJIQ-CYBMUJFWSA-N 441.506 0.514 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1S(C)(=O)=O 1171954178 DJNCLPUNEHSRFZ-APWZRJJASA-N 437.541 0.500 30 10 ICEE C#CCN1CCC[C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1177754135 CPCSOHPPBXNCSH-INIZCTEOSA-N 431.562 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286389332 IAZLIYNENBBXGL-UONOGXRCSA-N 447.521 0.044 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1286456942 AVEWFXCSJTUMGK-FRQCXROJSA-N 441.554 0.312 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)CC1 1286472267 RNSVDEFPDFXYGH-HBIPHATFSA-N 444.627 0.191 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCS(C)(=O)=O)CC1 1286491128 GJJCFOJEPJEOBW-UHFFFAOYSA-N 430.534 0.274 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C)C1CC1 1286736284 CUYNRFFJMRDLOX-OAHLLOKOSA-N 426.543 0.244 30 10 ICEE CS(C)(=O)=NC(=O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1299746322 QQQFHVRPTNVNNR-UHFFFAOYSA-N 428.536 0.656 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300338799 HFKQECBDQHDOID-GJZGRUSLSA-N 446.599 0.162 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300479758 RUFNEZAAXHPGNJ-HUUCEWRRSA-N 427.502 0.125 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1300654456 XOWOJXUENMJXCS-NVXWUHKLSA-N 433.534 0.978 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300764540 XQIXNJOQSAMVFC-KDOFPFPSSA-N 439.563 0.578 30 10 ICEE COC(=O)CCN(CC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1302617609 HPAUNWVTLYFAED-UHFFFAOYSA-N 439.490 0.822 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)C1 1303939278 CAMFMOBBQOADBI-APWZRJJASA-N 440.570 0.904 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)noc2C)CC1 1359045201 ZNUAHXZHYHRFFP-KRWDZBQOSA-N 425.493 0.848 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359132294 STGIFTQXDVTSAR-CABCVRRESA-N 426.543 0.340 30 10 ICEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cn1 1435137513 RJLCFMUUCGBYSX-UHFFFAOYSA-N 441.469 0.360 30 10 ICEE N#Cc1cn(C2CN(C(=O)CCNC(=O)c3ccc(Br)cc3)C2)c(=O)nc1O 1457198304 QWWPCNIENHGIAF-UHFFFAOYSA-N 446.261 0.786 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)s1 1470224881 FJNPAONNUABYMO-IBGZPJMESA-N 443.591 0.487 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CC[C@H](O)C4)CC3)C2=O)cc1 1470284892 FLMFFVZXMGPKBA-OALUTQOASA-N 425.489 0.821 30 10 ICEE N#Cc1cn(CCNC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c(=O)nc1O 1470360102 CHQMWVYLNVISDZ-FQEVSTJZSA-N 429.408 0.688 30 10 ICEE CC(C)(C)OC(=O)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCOCC1 1470607680 PAIYRWVCXHBQRF-IFXJQAMLSA-N 427.523 0.705 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(C)(=O)=O)nc2)s1 1471828437 NBGJABBYGASVBS-UHFFFAOYSA-N 429.545 0.870 30 10 ICEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cc1 1479138812 YVJUBPBGCBZCAY-LJQANCHMSA-N 438.488 0.596 30 10 ICEE Cc1cc(C)n(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1492761196 FWVRTKUJALQKSD-IRXDYDNUSA-N 433.538 0.813 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1507629590 UWWBSMGTLRVZKB-SFHVURJKSA-N 438.513 0.746 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508078949 LVGYVGUZPSOCDB-UHFFFAOYSA-N 439.520 0.822 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1COCCO1 1510185341 CTEMODZUCBDIMQ-HOCLYGCPSA-N 426.543 0.824 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539200878 RCVZCIXZIWNCGC-QGZVFWFLSA-N 446.508 0.723 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)Cc1ccon1 1539312144 JHEQNZJXVIKTTF-UHFFFAOYSA-N 427.490 0.844 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539446104 QPLBFHBYMJNLHK-MOPGFXCFSA-N 429.569 0.341 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)c1 1540582981 DCDBTONHMUOXHK-KRWDZBQOSA-N 440.891 0.929 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540875786 XZLNGDGOLVWZOF-AWEZNQCLSA-N 430.440 0.939 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876700 YQDREVRXGOEWMM-CSODHUTKSA-N 437.541 0.861 30 10 ICEE CCOCc1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1548097516 NMXBFXBOCSZKEE-ZVTPFLCHSA-N 443.508 0.588 30 10 ICEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1F 1585132968 WUSZDVDQDDMKPQ-KSSFIOAISA-N 443.522 0.867 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1594784007 OCCLZTPCXNUDMF-HRCADAONSA-N 440.570 0.728 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1595475155 AYVUGFSYLPJVEQ-GJZGRUSLSA-N 448.549 0.978 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1612886700 PFMUEZSJUAYGEO-UHHPSXQGSA-N 443.508 0.656 30 10 ICEE Cn1ccc(NC(=O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1635493793 KCRVZCGTZVAUPC-UHFFFAOYSA-N 430.490 0.447 30 10 ICEE C#C[C@@H](CCC)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1654542523 CFUXJMNCVUYPPA-HNNXBMFYSA-N 427.548 0.653 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 1679669636 JQVZGVBFVDCFGG-INIZCTEOSA-N 439.925 0.240 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCCS2(=O)=O)CC1 1690128834 KLOZQCZUYQUIIN-UHFFFAOYSA-N 442.589 0.968 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)CC1 1690135409 WELHKTAOQVGFII-CALCHBBNSA-N 445.568 0.892 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690156207 UAMSKFHYYMMDMN-HRCADAONSA-N 443.595 0.639 30 10 ICEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690317158 SXYASTAGUOEBFX-INIZCTEOSA-N 445.549 0.374 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705902503 GFKQBDDQEJMMRH-DLBZAZTESA-N 436.582 0.547 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1722296331 OYWAGFQTZRXBRU-YVSFHVDLSA-N 425.555 0.884 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722901961 YTDTXEXZURHNMV-NONRQZMLSA-N 427.509 0.961 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1730957478 XEZIGGWMBGTTJL-BZSNNMDCSA-N 434.541 0.842 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1740627028 DOUXWAFGRBVNSJ-QGZVFWFLSA-N 433.534 0.671 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C(C)=O)CC1 1740629635 URUSDSHSIONBFA-UHFFFAOYSA-N 427.553 0.433 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sc(C)nc2C)CC1 1740689753 CQHZVWFHGHNLGN-AWEZNQCLSA-N 437.595 0.765 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)C1 1740972345 HDKOLURKSLJKHT-CABCVRRESA-N 442.586 0.974 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1749677983 RAOBFIJTIKCZKF-UHFFFAOYSA-N 425.493 0.438 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749681223 YOOSCJGDORBZFQ-QGZVFWFLSA-N 439.520 0.990 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760188499 AXPSGCSCHPDTNK-PXNSSMCTSA-N 449.602 0.624 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(C)(=O)=O 1770044709 QIWBFIYTDWIFDT-GDBMZVCRSA-N 426.543 0.223 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN2Cc2ccccc2)n1 2267196543 QYXYYSVDAKLAMP-KRWDZBQOSA-N 441.341 0.745 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268714256 ICSCLBCDCBSFJH-BPUTZDHNSA-N 449.313 0.660 30 10 ICEE COC(=O)[C@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834166 QCSXCAFUMCFZJN-SECBINFHSA-N 425.721 0.513 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]3COCC[C@H]32)CC1 464848143 FOJKNQHJYLWECE-RTBURBONSA-N 432.546 0.892 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 483070895 CXPSESVOSWEQBF-CSODHUTKSA-N 432.546 0.968 30 10 ICEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508813839 QRTJRFPUBLMYLP-UHFFFAOYSA-N 443.533 0.702 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 551731475 VUAZTNMLNLYHDI-GFCCVEGCSA-N 437.435 0.449 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC1 728531778 JQRQALUTLFQPNG-UHFFFAOYSA-N 439.560 0.844 30 10 ICEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1C(=O)N1CCOCC1 732705728 FLFYTCRGVUGUJZ-KRWDZBQOSA-N 425.489 0.605 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@H]1CCCO1 753356182 ABNVGAASJGVLPW-CQSZACIVSA-N 442.497 0.009 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 774179159 MLCFSQMCXWRCTR-HKUYNNGSSA-N 432.546 0.720 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1140132614 KLKVKGILTJOXTQ-HTAPYJJXSA-N 434.537 0.154 30 10 ICEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1144709334 QTRMYIUCUNFQJZ-MRXNPFEDSA-N 432.424 0.938 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)C2=O)cc1 1154245983 CWQPBZJKCIDXKX-BFYDXBDKSA-N 430.486 0.656 30 10 ICEE CCN(CC)CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1253948320 CRJOBTKGHFGKOO-AMGRQBIBSA-N 426.539 0.260 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286408401 GEAWCKOGONQFDN-QHCPKHFHSA-N 429.484 0.743 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1286780754 ZTCDEIRQGXILPN-UHFFFAOYSA-N 449.533 0.842 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1286783725 KDLQJPGHGAVWMR-NRFANRHFSA-N 426.477 0.720 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)CC=C)CC1 1300703698 PUEFPIWSHYLMNS-UHFFFAOYSA-N 434.591 0.990 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccco1 1300779707 FCZDPQHGWUCIPG-IFXJQAMLSA-N 434.522 0.903 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCNS(C)(=O)=O 1302279373 ZJIMRAOJXBYYNY-GJZGRUSLSA-N 426.543 0.681 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCOC1 1303863138 MPRBVSDCRCVGGS-WMLDXEAASA-N 435.554 0.412 30 10 ICEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1307783578 INYWMKAHKGLLTK-SJORKVTESA-N 439.534 0.978 30 10 ICEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1308100777 SMNDQVNDBYKSLY-BXWFABGCSA-N 433.559 0.327 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1 1312583778 NPOHTOJMWQJQHM-KTKRTIGZSA-N 433.534 0.001 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1316348157 MDQWSDCSAKGIBC-IBGZPJMESA-N 449.558 0.876 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1358968378 JSXFTUXXBSBWOF-UHFFFAOYSA-N 426.502 0.823 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1359063237 LIZJVRUVAIQFIU-WOJBJXKFSA-N 444.517 0.467 30 10 ICEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1359280965 KAQKRYVTQISRAR-UHFFFAOYSA-N 435.554 0.965 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1359291087 DKTVSKBCTRKMHK-UHFFFAOYSA-N 440.508 0.580 30 10 ICEE N#C[C@@]12CN(C(=O)c3cccc(NS(=O)(=O)C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1456219257 OKCDFWCTPXNMBI-FZMZJTMJSA-N 437.421 0.958 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC2)C1 1505139078 DVBJLLIUIJAEPY-ZQIUZPCESA-N 428.490 0.089 30 10 ICEE C#CCN(c1nnc(CC)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507633539 HCDHAPPJKSCTMX-LJQANCHMSA-N 436.626 0.741 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539226473 YXGHGTCJPNWUDD-GOSISDBHSA-N 425.518 0.672 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)C1 1540894547 ACJHEOJGWYHJDI-OAHLLOKOSA-N 428.497 0.335 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540907914 MJVYUBIEIGUNQM-KDOFPFPSSA-N 425.511 0.761 30 10 ICEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OC 1556375696 PQTGELRPSCPCIN-MPDPAFJNSA-N 429.473 0.650 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588848500 IEGWBAOCJCHKMK-SFHVURJKSA-N 428.562 0.844 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1589664388 ZPTNXADHGDQOSS-YJBOKZPZSA-N 429.543 0.165 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1595798564 QNERQEPWQSLQRR-LSDHHAIUSA-N 432.568 0.254 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1597699093 GOPRZJFJLLNLKG-SUMWQHHRSA-N 447.558 0.835 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1610415416 KEZYWFRFVCVSAL-IBGZPJMESA-N 440.570 0.950 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1622498709 SGASOOXKGCQQHW-UHFFFAOYSA-N 447.336 0.095 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)ccc1F 1643510486 ZEAWFQIJVIGHBC-UHFFFAOYSA-N 447.492 0.746 30 10 ICEE C#C[C@H]1CCCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1685893168 UZAQVHBIPXVABS-HNNXBMFYSA-N 443.547 0.846 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689929998 IYCMSZWTQXCXHY-HOTGVXAUSA-N 448.549 0.360 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1OC 1690076862 CLNQPQOGINNATP-IKGGRYGDSA-N 441.554 0.122 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)C(C)(C)C)CC1 1690111609 GDHDQSDJSRUSSC-JKSUJKDBSA-N 426.587 0.705 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690672982 KAPGUVQZMVZRIN-UHFFFAOYSA-N 447.565 0.426 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1696903396 QPERKWFRULZULB-AWEZNQCLSA-N 435.492 0.846 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705588888 HDVVMSDRKGVKKE-KRWDZBQOSA-N 448.593 0.941 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1722373041 HUCNCVNKPZYBKI-MRXNPFEDSA-N 434.566 0.800 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722729312 IZICXQVNJNKDNL-UHFFFAOYSA-N 444.561 0.971 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1726637008 FCHOKZDZAVOYRN-JLTOFOAXSA-N 444.517 0.033 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748821593 RLWLTFSUEAYOGS-UGKGYDQZSA-N 444.557 0.841 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1748984513 UEVSHWDGGQNBTF-NRFANRHFSA-N 445.545 0.259 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1749067447 UFJYTRVRTYXZBP-FXAWDEMLSA-N 447.565 0.890 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1760162824 HPRVOBBKPJOUQW-AWEZNQCLSA-N 439.563 0.551 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)CC1 1760254079 NDWVKAIDIKHLOM-JKSUJKDBSA-N 426.612 0.929 30 10 ICEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760509601 TXYGEJIPBUKCFZ-UHFFFAOYSA-N 429.481 0.365 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1COc2ccccc2O1 1760514467 GPMQAHWZLXXTEM-HNNXBMFYSA-N 428.493 0.995 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760522356 RPLFFOMDZGNNKX-UHFFFAOYSA-N 431.541 0.050 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760525018 QSIWLENGJXTBKW-ZWKOTPCHSA-N 431.585 0.960 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760546379 NPYRTGNLUHHTEF-FXAWDEMLSA-N 433.534 0.595 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255623494 NVNJNTZUQREGLX-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628804 NEIIEIDYWHLEBK-STQMWFEESA-N 436.318 0.809 30 10 ICEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255748450 CPZKANODFRTXEO-UHFFFAOYSA-N 448.354 0.656 30 10 ICEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506676121 JZXBXYIYHXUMBE-SJORKVTESA-N 431.541 0.242 30 10 ICEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)CC2)c1C#N 571698772 MHLGGNVFQIPSPL-AWEZNQCLSA-N 426.568 0.969 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C#N 732562910 OKNGHYSSVUKEHQ-UHFFFAOYSA-N 430.493 0.792 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@H]1CCCO1 767953101 NMDXTUJWXHQKSQ-MRXNPFEDSA-N 431.514 0.564 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)CC1 1140132765 NWHBEMXSMOAOOZ-UHFFFAOYSA-N 425.485 0.936 30 10 ICEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC 1286442568 FIQFMBNPVCIYFI-UHFFFAOYSA-N 439.567 0.247 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)C)CC1 1286485011 ACJHEJRSZZULNE-UHFFFAOYSA-N 443.552 0.395 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCOCC1 1288801706 AENAQYXJLIYWPE-MRXNPFEDSA-N 439.586 0.741 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1300537349 FHXNCYAEOIQNBK-KRWDZBQOSA-N 435.550 0.501 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)CC1 1300723503 VCYBCRRVCBFINX-UHFFFAOYSA-N 441.492 0.060 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316351812 UXNGFDFUFSGKME-MRXNPFEDSA-N 433.538 0.511 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1359038005 HGFIXMLRRYTYFD-UHFFFAOYSA-N 430.578 0.710 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1359295621 IJAFKZWCNCZBPO-UHFFFAOYSA-N 433.900 0.591 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359332878 JFBODZBAJSDQJK-DLBZAZTESA-N 427.571 0.540 30 10 ICEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1460291634 YVAUCQZNRAZTHN-UHFFFAOYSA-N 433.530 0.636 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508072282 IOUBYLCMGZOBRF-GOEBONIOSA-N 425.449 0.870 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1cccnc1 1532606787 FBBMOXSSYWGZFO-JQHSSLGASA-N 429.477 0.951 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1539013593 JBUZPNIHHQSLPQ-DYVFJYSZSA-N 435.554 0.468 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1539369951 QIJVANVKHPDGTB-QGZVFWFLSA-N 440.566 0.852 30 10 ICEE C#C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C1CCOCC1 1539806815 ASDARNHLVDUEML-GQIGUUNPSA-N 426.535 0.813 30 10 ICEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC[C@H]21 1554326731 VDDWMYWCGSBNLA-DLBZAZTESA-N 428.518 0.918 30 10 ICEE CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1557965713 KSFFXJHKHMQXKP-UHFFFAOYSA-N 446.526 0.467 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 1558073003 IFOWKUYQHVBXKS-UHFFFAOYSA-N 438.403 0.586 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1564645129 YNYZHWHGSRCAHT-FTRWYGJKSA-N 432.502 0.246 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1588140435 XKHXYCLUKVKKNG-UXHICEINSA-N 446.621 0.527 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1588581319 NKSVYRXZRJVGOF-VQIMIIECSA-N 426.539 0.451 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593635864 BEXPJBMPCYGFLZ-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1613558547 FYAVPQAPTRREOK-NRFANRHFSA-N 448.547 0.803 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(I)c2N)CC1 1627014959 HOAASUXWZUPIGA-UHFFFAOYSA-N 440.285 0.771 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 1636479965 JEDAODCXWQVCGI-AWEZNQCLSA-N 428.308 0.537 30 10 ICEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCOc1ccc(S(N)(=O)=O)cc1 1643257264 HPNKELYPVLCFBY-UHFFFAOYSA-N 427.482 0.944 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 1646451772 FSJYLJLNHLMATB-UHFFFAOYSA-N 444.488 0.799 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1705495607 SCDMNCDUXNIKCD-XYJFISCASA-N 436.582 0.553 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1705621742 MZNSHJKHGNVCLZ-CVEARBPZSA-N 449.533 0.814 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1712622870 VVZYXEWXTASFBG-JYJNAYRXSA-N 441.554 0.680 30 10 ICEE O=C1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1712919942 OSRRGFMXJKFISQ-HTXNQAPBSA-N 425.424 0.547 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCN(C(C)C)CC2)CC1 1722442066 XAASKHWFKWZEKV-UHFFFAOYSA-N 443.596 0.391 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722555518 LMZDKRLACRTWLD-XJKSGUPXSA-N 434.971 0.948 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1722813570 DKVAYKRKKLMBSF-GOSISDBHSA-N 445.549 0.813 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740716680 WTWYTLQVHRRQEM-INIZCTEOSA-N 444.565 0.999 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)C(=O)C1 1740993389 ZRDGAESDTMCUKO-UHFFFAOYSA-N 430.534 0.676 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C)C1CC1 1749520103 ZDZGOKAAWNOZFE-URLQWDBASA-N 441.554 0.306 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749650163 LTVVMXIDOUXVTA-MRXNPFEDSA-N 434.541 0.740 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1749730636 LSUZJJPSSAEZTQ-UHFFFAOYSA-N 435.554 0.584 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2occc2C)CC1 1760265945 MOXKLTYBWXPOLD-HNNXBMFYSA-N 448.549 0.804 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760565460 XQKLYJLTPLDLPH-CQSZACIVSA-N 428.584 0.620 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1760695411 GWZXRBACMFGKSN-MGPQQGTHSA-N 448.496 0.631 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)N(C)C 1767864059 NTWOCGPTFCPRRO-UHFFFAOYSA-N 435.510 0.241 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc(C)c(C)c3=O)CC2)CC1 1889351193 SXGVELKYSJAVEM-UHFFFAOYSA-N 429.565 0.509 30 10 ICEE Cc1c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630939 RHXKJSODYNZPFN-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@H](C#N)N2CC[C@H]1C2)NC(=O)OCc1ccccc1 2368607509 SHFLUBIYDWJHOX-ULQDDVLXSA-N 436.490 0.066 30 10 ICEE Cn1cnc2c1c(=O)n(CCCN1CCCN(Cc3ccc(C#N)cc3)CC1)c(=O)n2C 25934239 SIWRCKNUDNXGQO-UHFFFAOYSA-N 435.532 0.903 30 10 ICEE C[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H]1C[C@@H](O)[C@]3(O)[C@@H](C)O1 105559324 QBQXQYSJPWXZJL-VQJKQLIHSA-N 444.392 0.288 30 10 ICEE biogenic C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 489785952 ZDYXCKQXGBLWOG-UHFFFAOYSA-N 429.565 0.773 30 10 ICEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C 501810692 RZIDOZSKTDYSSA-UHFFFAOYSA-N 449.577 0.745 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)CC1 558992187 CYGNOMNASWXJSS-KRWDZBQOSA-N 437.566 0.373 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CN1CCOCC1 774250941 QVGXWSWXHIOBLD-RDJZCZTQSA-N 438.550 0.093 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 917650780 INSNZFUJRNSOSD-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE COc1cc(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)cc([N+](=O)[O-])c1O 1084106301 OBGKLSQXOYQNMD-UHFFFAOYSA-N 434.398 0.722 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1141375071 QWFWLMPSJLKZFZ-MRXNPFEDSA-N 440.543 0.249 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1181000047 JMIXGRRKRBODEU-OAHLLOKOSA-N 433.465 0.620 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286396225 WFTOZFNANOYELC-GHTZIAJQSA-N 447.561 0.678 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1286410812 WXDWHFIHFPRCJN-ZWKOTPCHSA-N 447.561 0.501 30 10 ICEE CC(C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287200134 BCFZEEAIWVIPOT-QFPXGYFVSA-N 442.524 0.968 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)s1 1293804376 ANBWAFJKMOSIOR-UHFFFAOYSA-N 426.520 0.298 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301138626 AVJSSWJTHMSQKA-RRFJBIMHSA-N 443.570 0.851 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1301499743 FCYYUXDOEWSYDN-OAGGEKHMSA-N 440.570 0.538 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955085 DKBMQRGRLBKDJR-ZACQAIPSSA-N 437.566 0.858 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358965426 VAZFLSUVFYMWEI-ROUUACIJSA-N 431.518 0.306 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1507617072 QPPQURGWAYGKAN-SFHVURJKSA-N 433.534 0.932 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507633942 VRSMBGXGBJRRCZ-MRXNPFEDSA-N 440.591 0.997 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1507690112 PTBUBRLXONDQJH-IAGOWNOFSA-N 447.565 0.530 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCC2)CC1 1507738705 WBWBXSKSCCFNQS-MJGOQNOKSA-N 441.580 0.927 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507753139 CHLBETBFXYANAP-ZIAGYGMSSA-N 443.537 0.128 30 10 ICEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1517314881 DFHIXJRSIHPSKU-OAHLLOKOSA-N 433.513 0.996 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539619770 HXKJUDQXUVGRSU-ZWKOTPCHSA-N 432.525 0.075 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1540897712 PYCKKVURGDMGHF-UHFFFAOYSA-N 448.553 0.134 30 10 ICEE COCC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555203153 NQXJMOFKXMTTEZ-VXPUYCOJSA-N 445.524 0.298 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)C1=O 1584327917 CVGJZLRTSCIDNA-UONOGXRCSA-N 435.383 0.657 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055041 RUUCTCLWLUVEQZ-HRCADAONSA-N 437.566 0.917 30 10 ICEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594651347 IYTQOTNEUQTYCI-QGZVFWFLSA-N 426.525 0.643 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1595550895 JJICUAAWHVTGPY-KRWDZBQOSA-N 448.549 0.990 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1622679175 FSEJMDLRAHKLOP-UHFFFAOYSA-N 428.532 0.571 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1636584830 IVHCLQDFTICMFN-CABCVRRESA-N 435.506 0.610 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H](C(F)F)C1 1637203435 CCFQUSYNUJJSNN-GFCCVEGCSA-N 427.408 0.924 30 10 ICEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C1CCOCC1 1674597559 WWTDLTLCSMJOAJ-VQTJNVASSA-N 442.564 0.980 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689988528 QZTILBOOMPLMAC-HOTGVXAUSA-N 435.550 0.673 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1690000188 VCGMXDIULTZFIO-HNNXBMFYSA-N 428.518 0.968 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1696497325 FGSFEVIMMQFJIE-KRWDZBQOSA-N 429.506 0.875 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N(C)C 1696675910 BLPZPWKYLBECDF-UHFFFAOYSA-N 445.549 0.800 30 10 ICEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1696996043 NKKAVSWKKBIWKU-NRFANRHFSA-N 425.493 0.779 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705564427 OCBGJZIIMPIGRT-SJORKVTESA-N 442.545 0.882 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1705564983 DRTMHJDPNGLUNP-INIZCTEOSA-N 431.566 0.950 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569705 JHMAAHAVHWJPBC-SFNQZPIRSA-N 447.586 0.802 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705909272 RVFXWJHQWFQTTP-OAHLLOKOSA-N 426.543 0.292 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1722382283 GWXCBAHBXGGAEE-IBGZPJMESA-N 432.594 0.281 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1722698574 IDEAMZUDVSHWNI-GFCCVEGCSA-N 436.485 0.005 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCOCC2)CC1 1740701129 VPGAKFQSDLYBKJ-HKBOAZHASA-N 446.596 0.726 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1740744886 HIRSHBAIARPETA-GFCCVEGCSA-N 447.359 0.550 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740959918 HFJOXOWIBQPCEC-MSOLQXFVSA-N 429.525 0.803 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1748824903 MJLYOIHKLNBYEP-UHFFFAOYSA-N 428.518 0.769 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1748875145 KXODURUGNKODRV-UHFFFAOYSA-N 435.488 0.637 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1749669232 IPNCXJBIXHKJLX-CABCVRRESA-N 426.543 0.150 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1760225780 YITPUJMLDJQXDB-OAHLLOKOSA-N 428.522 0.977 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)nc1 1851773950 DDTBLZUMJQRWCQ-GOSISDBHSA-N 447.561 0.823 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@](C)(O)C(=O)O)cc2Cl)OC1(C)C 2284407389 LALNUCSZFPVBLC-AWEZNQCLSA-N 425.721 0.815 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OC)Cc2cc(OC)cc(OC)c2)C1=O 116545387 GFGBLLRVNNKVGW-UHFFFAOYSA-N 433.417 0.182 30 10 ICEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 471928508 AODMEZMWZNHNKI-ZDUSSCGKSA-N 427.426 0.830 30 10 ICEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 493884134 WAMBGZVBZDNJSU-UHFFFAOYSA-N 435.531 0.762 30 10 ICEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 506891279 NXJZXOZHPXPFCN-CVEARBPZSA-N 432.506 0.865 30 10 ICEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 608889229 ALPLSBZRZOSXRY-UHFFFAOYSA-N 448.526 0.687 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cn1 766414253 FZWIOGQRVPVUJX-MRXNPFEDSA-N 430.538 0.893 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCCN3CCN(S(=O)(=O)C4CC4)CC3)cc2C1=O 797260603 GHEARKMIEXHIPO-UHFFFAOYSA-N 447.513 0.735 30 10 ICEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1134274847 BUZWHGHOIIYUOJ-YJBOKZPZSA-N 425.532 0.726 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCOC2)c1 1286312669 ZLLXMZNTDDKEOK-VGSWGCGISA-N 425.489 0.990 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286418549 LZHVAQPYHBVGAD-OAQYLSRUSA-N 428.514 0.966 30 10 ICEE O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NCCN/C(O)=C1/N=CC=CC1=O 1293033394 XSJYQIAGNVYGKH-VXPUYCOJSA-N 432.502 0.802 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1300509522 OBZVPGYYVDMFMJ-HNNXBMFYSA-N 429.502 0.781 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1300725741 JEFGUERCTDPSJK-AWEZNQCLSA-N 442.442 0.426 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300788393 YPJAKHRYLUXZHU-LZQZEXGQSA-N 426.539 0.544 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1300805336 AACVZRKGOUYVNF-VQIMIIECSA-N 433.538 0.569 30 10 ICEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1302982030 DMFQWGJXWQCQPY-NVXWUHKLSA-N 428.518 0.953 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCSC1 1303377784 BHFLTRRVPAQWST-HXUWFJFHSA-N 443.533 0.819 30 10 ICEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1313175802 IYTPBLBAVZJPHB-IBGZPJMESA-N 438.488 0.596 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359045055 VNSSOPKMGQHMCE-NVXWUHKLSA-N 435.550 0.183 30 10 ICEE C#CCN(C(=O)NCc1c(I)cnn1C)[C@@H]1CCS(=O)(=O)C1 1471160987 AAAHYIGYJCIKEF-SNVBAGLBSA-N 436.275 0.357 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCS(=O)(=O)c2ccc(C#N)cn2)C1 1473689949 SUJXPJGGDAAMGS-UHFFFAOYSA-N 449.533 0.538 30 10 ICEE CCS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1503278360 XRGXOXFYFUEQBE-QGZVFWFLSA-N 427.506 0.172 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632612 OHFRSIKAGKLUKQ-KSZLIROESA-N 437.566 0.129 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](OC)C(F)(F)F)CC1 1507731238 DIVCMWYYCGKLBY-GJZGRUSLSA-N 449.499 0.903 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508091472 UQCNICJLVSCLRB-ROUUACIJSA-N 447.584 0.859 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1539400028 YACFPICJAVMXDA-NRFANRHFSA-N 447.561 0.501 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1540874465 HMOPNBLRQKOMTF-SFHVURJKSA-N 426.521 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1540902600 MUPOPLOTPSRLGT-INIZCTEOSA-N 441.554 0.068 30 10 ICEE N#Cc1cccc(C2(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CCOCC2)c1 1557538248 BQCOCEWECNBLKJ-LJQANCHMSA-N 426.517 0.861 30 10 ICEE N#CC1(C[C@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCOCC1 1559767525 QKPNLCSIYROYCE-AWEZNQCLSA-N 428.477 0.508 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 1588742718 ULOPNCCGFLJSPJ-SFHVURJKSA-N 448.597 0.547 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)N(C)C)CC1 1588743261 YXQPRRCOFZCPPP-ROUUACIJSA-N 439.630 0.620 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588790989 JKNVXTONJLORPU-HXUWFJFHSA-N 449.964 0.903 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1617607402 ZTVILGKESBHLBA-JOCHJYFZSA-N 437.504 0.923 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 1632960717 MLJCZFYRRODUAR-UHFFFAOYSA-N 442.519 0.448 30 10 ICEE C#C[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1640186740 QATQEKDTTCDEHC-ZBFHGGJFSA-N 435.502 0.242 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1 1643372620 UNAWCZJQPKEAHZ-UHFFFAOYSA-N 442.423 0.512 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 1650848975 PJPQVCQXSQVNRN-UHFFFAOYSA-N 439.437 0.206 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CC1 1690110282 FQORYOWTYZNOBR-UHFFFAOYSA-N 438.536 0.403 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690670491 CNCFRHJBZGBMSN-SFHVURJKSA-N 447.584 0.465 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1696845014 ZTZCEOBWMTZQOX-MVZUJROASA-N 443.508 0.542 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1705477517 PALBCAUGYNERAG-HUUCEWRRSA-N 428.522 0.975 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCOC2)c1 1705505066 HYGCCDIZEIFOLO-JOCHJYFZSA-N 433.472 0.943 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)[C@H](C)CC)CC1 1705633061 IJZXWGJCPFXQJQ-SJORKVTESA-N 425.603 0.374 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(N)=O)C1 1705932924 ODVJHCDNEXLNBA-OAHLLOKOSA-N 447.517 0.629 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1706830703 MQIHHGJKLLTWGK-ZGTROFRASA-N 438.554 0.971 30 10 ICEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)on1 1707947361 APRXMMONVVRZEH-YOEHRIQHSA-N 439.473 0.398 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1712290865 MFLBFEKCPGLNIW-UFOSLELVSA-N 427.465 0.651 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1 1712687320 YIKGVPONCDEYGH-INIZCTEOSA-N 435.506 0.476 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722700838 WWZKJVUKALOLEH-FQEVSTJZSA-N 430.534 0.581 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727650985 NXPZFTJMUZGJMU-SZFSDLTGSA-N 429.481 0.023 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C[C@H]1O 1729783124 RUEFRQOJCDBMFO-QZTJIDSGSA-N 438.488 0.703 30 10 ICEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1740566806 YIUFPCMQDGKMPW-UHFFFAOYSA-N 430.534 0.935 30 10 ICEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1741989214 BYTOSQMGQGPPOE-AWEZNQCLSA-N 428.497 0.519 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1748640181 QZEBUTHEEYLVFC-KGLIPLIRSA-N 429.510 0.370 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1748651971 VAYIMJBNZSZWJA-GDBMZVCRSA-N 430.534 0.932 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748815511 QYVNMZSFRUKEBJ-STQMWFEESA-N 449.562 0.318 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1748820052 YDRPZJXZBGEWSB-UTKZUKDTSA-N 442.545 0.369 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)F)CC1 1749009825 LVWJIAQUJJWUCA-OAHLLOKOSA-N 438.479 0.867 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749128802 ZVGSNAYGISYRMX-PXNSSMCTSA-N 440.552 0.927 30 10 ICEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1750217461 AVEBJWBMVRJNKN-ILHIWHGASA-N 429.506 0.955 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1760195913 LPSUTUDNBNSFKX-UHFFFAOYSA-N 439.339 1.000 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1760289509 PNAPLZAYPHAFQS-JJRVBVJISA-N 429.568 0.315 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760440509 LLVCOISGAYVMLH-DLBZAZTESA-N 437.566 0.974 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760529206 ZLTNCQFOLCGZQS-LAUBAEHRSA-N 434.541 0.585 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1761502911 UGESUPYFSPWJOD-ZNMIVQPWSA-N 440.526 0.160 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1768903558 MVPNMNDBADNLFQ-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE NCC#Cc1cnc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)nc1 2158597748 XUGQAQSQOWIJBE-UHFFFAOYSA-N 427.486 0.995 30 10 ICEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404322 JOCKHTZGAICTLO-NSHDSACASA-N 441.363 0.653 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627990 BGUYBHBEIISNEY-UHFFFAOYSA-N 436.318 0.857 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169375 XYIWDRSIHYEIOU-CABCVRRESA-N 448.329 0.876 30 10 ICEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286035320 VMURJRIBJDILJL-QZTJIDSGSA-N 438.502 0.898 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 520148106 HOMGDDFDGNJMJV-UHFFFAOYSA-N 430.477 0.080 30 10 ICEE N#Cc1cc([N+](=O)[O-])c(N2CCN3CCOC[C@H]3C2)cc1N1CCN2CCOC[C@@H]2C1 553487540 ZDLNBIIIRMCYLE-ZWKOTPCHSA-N 428.493 0.508 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)o4)CC3)C2=O)n(C)n1 557432382 HPLYSOBDFXVCBH-MRXNPFEDSA-N 432.506 0.695 30 10 ICEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O 725768076 HUGPVSMISCXYRR-JTSKRJEESA-N 425.489 0.854 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)CC1 728531452 JLYULCBRFCFOKM-JKSUJKDBSA-N 442.516 0.806 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 751925414 DSQFQMVVDXRWPE-OCCSQVGLSA-N 436.538 0.224 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)n1 760985493 WJDMRGXSBRRDKG-UHFFFAOYSA-N 428.518 0.904 30 10 ICEE CCN1CCN(CC(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)C(=O)C1=O 770856932 ABAXFTGCZRVKLR-UHFFFAOYSA-N 427.501 0.494 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 782658317 SPHLQHYLESOQFT-UHFFFAOYSA-N 449.305 0.677 30 10 ICEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2Cl)C[C@@H](C)O1 816694191 AFUOSMULSDNDKR-WDMOLILDSA-N 431.898 0.858 30 10 ICEE COC(=O)C1(C2(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1159286217 ZXKPWAYECMDVCD-HNNXBMFYSA-N 449.529 0.922 30 10 ICEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1179982499 MDJVQNNLGBSZOO-UHFFFAOYSA-N 446.529 0.216 30 10 ICEE C=CCCCn1c(-c2cccn2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286697060 AFUKKZGQCBXGOW-UHFFFAOYSA-N 439.524 0.716 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286778480 BBNJKUOWTIVBJI-XQQFMLRXSA-N 434.513 0.918 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COC)C1 1286814277 OVEVLKZWXNKZRQ-HNNXBMFYSA-N 434.522 0.999 30 10 ICEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)N1CCOCC1 1300421470 HQMSRDAUEHBQMA-UHFFFAOYSA-N 430.534 0.978 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1300500742 CQPPVILWDHRMOR-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)CC1 1300699473 DDGXSFVKWDNHDW-LJQANCHMSA-N 445.545 0.981 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301085825 BGMYGIQOFARYQG-UHHPSXQGSA-N 446.533 0.863 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301481758 OZTZKNIIZIBFDE-LIRRHRJNSA-N 442.586 0.832 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1301587984 BCPCDDCGXPIQKU-CQSZACIVSA-N 440.551 0.207 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1301967734 FZJVCOJTLDVZGZ-KGLIPLIRSA-N 429.568 0.601 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1316359778 KHVLPDUCYSVSPK-UHFFFAOYSA-N 434.522 0.895 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1358955956 XOKCGVQBSFFTTC-HNNXBMFYSA-N 442.501 0.654 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959430 IQORFZFLCGZZGI-GOSISDBHSA-N 443.529 0.431 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456612160 ISEPYWNGMCNOON-AUSJPIAWSA-N 439.534 0.799 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)c1 1464312566 OPNYOQSSNLCOHL-UHFFFAOYSA-N 448.483 0.799 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1469871782 GKTUXAYBNWHJNX-FQEVSTJZSA-N 444.513 0.848 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 1471451547 WEDWORPMECKQJP-GOSISDBHSA-N 440.516 0.756 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1505086977 XFSFDFQDQHPYOR-IPELMVKDSA-N 444.492 0.856 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507953839 IVGWHSYGHKTAHU-AWEZNQCLSA-N 436.538 0.667 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1508140354 NJQVGGHJIHGJQU-MRXNPFEDSA-N 434.522 0.201 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1519237657 OPVYKRKMWMORLT-UHFFFAOYSA-N 443.508 0.908 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccs2)C1 1519561705 DFYVJTYPVNAQPY-DZGCQCFKSA-N 438.535 0.450 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1538992603 UUIZXDCVQWLKRU-CQSZACIVSA-N 426.506 0.956 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1539518200 WOBNTNNYGWFRHG-GJZGRUSLSA-N 426.568 0.716 30 10 ICEE N#CCC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1559779533 AHOMXVZHPAGDKO-UHFFFAOYSA-N 432.546 0.359 30 10 ICEE CNC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560007614 MEKMFLXPVZUFMX-RTBURBONSA-N 432.500 0.164 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1587414774 PGDQQAUICTZEAM-SJORKVTESA-N 425.482 0.752 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1587650649 DUKIZHQWELBNMM-INIZCTEOSA-N 431.500 0.985 30 10 ICEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1587758621 DTMFPHFYQVQLAF-KRWDZBQOSA-N 427.513 0.659 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1588035919 ZLCMWHILHBQLTD-HOTGVXAUSA-N 437.522 0.974 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(CCC)n(-c3ccccc3F)n2)CC1 1588199032 GGXYGODYPZYIID-UHFFFAOYSA-N 434.497 0.584 30 10 ICEE C=C(C(=O)OC)[C@@H]1[C@H](OC(=O)/C(C)=C/COC(C)=O)C[C@]2(C)[C@H](O)CCC(=O)[C@H]2[C@@H]1O 1615811238 WTHXAFPDZHTOOX-MCARMSDFSA-N 438.473 0.864 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)C1=O 1623548774 XBBRHICAEBWBNG-UHFFFAOYSA-N 425.401 0.216 30 10 ICEE CC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1OCC(=O)N(C)C 1625023179 HJBVHXJKFXSMQE-MRXNPFEDSA-N 427.461 0.945 30 10 ICEE C#CCONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1632678326 JSBCAIGGJDXYFK-LBPRGKRZSA-N 441.815 0.952 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CCOC)CC2)o1 1638468918 CLAAHSKYOQCQFU-UHFFFAOYSA-N 427.479 0.856 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 1644285759 ZSAUPBPHNFPUPQ-UHFFFAOYSA-N 444.517 0.137 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1 1671159216 QERCMFOZCOYXAV-UHFFFAOYSA-N 427.548 0.689 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(Br)cnn2C2CC2)CC1 1673725709 VPABHCJTBSCWFX-UHFFFAOYSA-N 431.316 0.598 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689930014 JICFYIGHIIDMJF-HNNXBMFYSA-N 431.522 0.180 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689994381 XFAVWHMHWONEEG-FQEVSTJZSA-N 448.637 0.885 30 10 ICEE C#CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1705539018 HHXJIJYAVKUECB-IIBYNOLFSA-N 442.524 0.876 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)CC1 1705639356 MFQJBDFEIFGCSU-INIZCTEOSA-N 432.550 0.843 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1705930758 VFKMQGZWVIJOFD-AWEZNQCLSA-N 447.521 0.241 30 10 ICEE C#CCCCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OCC)CCOC1 1722338424 IRLHWNBGLSZQDV-VQIMIIECSA-N 425.555 0.862 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740958725 SUPPQTRYNZXMBR-GJZGRUSLSA-N 431.541 0.663 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1741000923 IAMJRGORVUVGGW-VLIAUNLRSA-N 447.565 0.963 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1748860186 XMDALLDVUZNUGL-RTBURBONSA-N 448.593 0.416 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1760315976 KWPSIPBNVGGBMC-BPUTZDHNSA-N 440.570 0.571 30 10 ICEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1766500386 GIOWKVZPQKYNQK-GJZGRUSLSA-N 426.543 0.824 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN(CC)C(=O)OC(C)(C)C)CC1 1772520288 ABIVXVGTYLGSED-UHFFFAOYSA-N 431.559 0.428 30 10 ICEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1 1858965971 WHPBSWVKXDRXOR-UHFFFAOYSA-N 429.454 0.781 30 10 ICEE Cc1cc(=O)n2cccc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)c2n1 1889408515 RMQWUAZZVBYBJL-UHFFFAOYSA-N 437.544 0.875 30 10 ICEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247954433 YRRMDYJIRYCTJE-UHFFFAOYSA-N 445.351 0.260 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619186 NLGOAGPPWKQYEJ-OCCSQVGLSA-N 436.318 0.978 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255655909 SQWPNFZBVNFLFQ-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CC[C@H](Oc3ccc(C#N)cn3)CC2)n(C)c1=O 238873141 NJWAEBNQMRKZMX-SHTZXODSSA-N 437.460 0.207 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)cc2C1=O 464106437 DOYSUQNSRHZBMT-UHFFFAOYSA-N 444.469 0.744 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477845168 NSYWIRKVCXKOJZ-MRXNPFEDSA-N 447.561 0.286 30 10 ICEE Cn1cc(S(=O)(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1 503673272 UKONYTTUGTZHHX-OAHLLOKOSA-N 434.503 0.110 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)c1 538495416 CWCYSWMFAOGYLC-UHFFFAOYSA-N 428.514 0.616 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c1 541192699 ZOKACXVKJBLEIE-KRWDZBQOSA-N 431.518 0.805 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763435921 RBHWFPQNRMSEJC-INIZCTEOSA-N 430.530 0.083 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccn(C)n2)C1=O 765547045 IULMXPGGOSWJPM-YQMDHOPXSA-N 443.577 0.926 30 10 ICEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCCOC)n(CCOC)c1=O 794582281 NRYDTYRHKBTMRG-UHFFFAOYSA-N 433.505 0.523 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 1152967820 QTVDVEOIZBRMPV-UHFFFAOYSA-N 434.499 0.764 30 10 ICEE N#Cc1cn(CCC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)c(=O)nc1O 1161915580 CCSBUJPVUBDKLM-UHFFFAOYSA-N 449.265 0.843 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([S@](C)(=N)=O)CC1 1177167263 OCLRSZRWONVUOD-HBIPHATFSA-N 441.579 0.876 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CC2)CC1 1286482296 PKHPIUFKTOYYDU-UHFFFAOYSA-N 434.591 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286491848 APENQCANNUAKSN-SFHVURJKSA-N 444.580 0.937 30 10 ICEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286775500 LIBHZTQDEDZNIF-UHFFFAOYSA-N 436.520 0.876 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286782134 LNLKZMWWOZRRRI-HNNXBMFYSA-N 427.421 0.796 30 10 ICEE CS(=O)(=O)N1CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1292105664 GRQKJAVQEDREEC-UHFFFAOYSA-N 445.339 0.393 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1300431886 NUTDIYSMBUXCRI-FQEVSTJZSA-N 433.534 0.956 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1301402371 GIUSGQKNLICEHQ-HZPDHXFCSA-N 427.527 0.205 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1314542283 GDAVBRDMCCOHLK-GOSISDBHSA-N 441.533 0.514 30 10 ICEE Cn1cc([C@@H]2C[S@](=O)CCN2CC#CCN2CC[S@](=O)C[C@H]2c2cnn(C)c2)cn1 1322922607 LWVKYGUVIGDGJC-CPCKHHDFSA-N 448.618 0.068 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1358893260 QWICSPOGEYSYMH-HNNXBMFYSA-N 429.506 0.829 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358967300 HTGZSGDTSUBPBC-OAGGEKHMSA-N 435.550 0.671 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O 1359297302 MAONKXOSKFLSPI-UHFFFAOYSA-N 426.930 0.886 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1359334833 ROJIYZYBFPLTAK-UHFFFAOYSA-N 440.570 0.352 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1508094577 GZKRWHRFXJOXGV-UHFFFAOYSA-N 429.447 0.387 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508140210 KZNRQVXOAMGISU-UHFFFAOYSA-N 436.582 0.501 30 10 ICEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1518723866 ATGQBNIGNZSKAN-GOSISDBHSA-N 448.549 0.950 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 1539902382 GFFZKROCPHINCI-AWEZNQCLSA-N 427.575 0.952 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1nncn1C 1540876768 ACPYRRDSRHSSFR-UXLLHSPISA-N 430.513 0.774 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1541803855 NIKDFRFWSRIAOJ-BZUAXINKSA-N 426.543 0.776 30 10 ICEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587808423 RESURWNSRXLBIL-KRWDZBQOSA-N 434.541 0.589 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588120345 LQBKOTYDUBLJHC-HKUYNNGSSA-N 441.561 0.956 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1 1588199416 NXCWRPPMSMHUOV-UHFFFAOYSA-N 448.526 0.807 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588848975 SXUDZCXTJTWMPO-IBGZPJMESA-N 428.562 0.844 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595550701 HSFYKEKVWCCZFI-UHFFFAOYSA-N 431.541 0.083 30 10 ICEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1617168744 ZBGAMNFCGZNCSG-HNNXBMFYSA-N 448.553 0.518 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)OCC)CC1 1650849254 ZWCKTGLGYZMQBA-UHFFFAOYSA-N 432.502 0.499 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 1669828800 JISGYXFPIVDFQZ-UHFFFAOYSA-N 432.315 0.785 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(C1)OCCO2 1689966010 IOLUTRJOKMWULR-CVEARBPZSA-N 439.538 0.224 30 10 ICEE C#CCSCCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690154935 ATXJLAJNJSYEFM-UHFFFAOYSA-N 432.554 0.235 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1692845782 YCYZWLTWDOBACA-VBKZILBWSA-N 428.497 0.632 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705516612 FSPSLAKMMPLXEE-HOTGVXAUSA-N 428.580 0.997 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705558968 NKPOOFJNWZVHGP-LLGFUMIMSA-N 449.577 0.692 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559116 RPBIFKINLXOTFM-CVEARBPZSA-N 425.555 0.714 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1705583411 XNCLALDHIIIQOF-QGZVFWFLSA-N 437.566 0.889 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705664691 YFQLKBNALTUUBC-HNNXBMFYSA-N 440.595 0.237 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705903156 NDJRZPPFCQEGFA-QGZVFWFLSA-N 428.493 0.976 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCOC)CC1 1722566361 QEDQVPPNAGDSAD-QFBILLFUSA-N 443.570 0.555 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722701905 AJDLYTBKKSJUSU-AOIWGVFYSA-N 434.541 0.609 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740578508 BTNCGUXHKRFVCJ-MJGOQNOKSA-N 429.569 0.819 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740700843 KHMSDMSWCXWODL-ZHRRBRCNSA-N 444.536 0.020 30 10 ICEE Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742830339 HXUUJKNHIVVDSW-MSUUIHNZSA-N 430.513 0.743 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1746686045 QGQMVSBPEAZIAI-LJQANCHMSA-N 440.570 1.000 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749672045 OIKDEEQASQCHED-PKOBYXMFSA-N 431.585 0.768 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1752328204 TUMPETPPRDNDIW-DPHDRGAJSA-N 438.492 0.477 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760149063 VWRCIXZSSIISNV-UHFFFAOYSA-N 435.492 0.629 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1760154367 DCHBCIDLMJZVDA-QGZVFWFLSA-N 437.566 0.573 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1760175718 PRKWHJVFTYFDFX-QGZVFWFLSA-N 436.559 0.865 30 10 ICEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC 1760504199 XATVWTRDOCKHSX-UHFFFAOYSA-N 425.493 0.967 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3[C@H]3C[C@@H]3C)CC2)c1C#N 1762399727 AEHFQGICAAIXTG-NOLJZWGESA-N 447.569 0.709 30 10 ICEE CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1766746980 HBGZSRNQVWRGDX-AZYRPFHASA-N 442.549 0.591 30 10 ICEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)CN2CCNS2(=O)=O)CC1 1853181095 AHZIQOPCHNBCPG-UHFFFAOYSA-N 426.502 0.419 30 10 ICEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCCN([C@H]4CCOC4)CC3)ccc21 1856930602 MQAWGNFSNMJSKE-INIZCTEOSA-N 432.502 0.501 30 10 ICEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2255648360 LARPKASYVZLLHT-WDEREUQCSA-N 428.220 0.707 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1[nH][nH]cc1CNC(=O)OC(C)(C)C 2352406362 RSKXHLOMCKVDHD-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE CC[C@@H](CO)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 464764791 IMNFMELEDLMODB-KRWDZBQOSA-N 442.520 0.843 30 10 ICEE COc1ccnc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 742570158 ISIJLMSGLGESPL-CQSZACIVSA-N 444.517 0.651 30 10 ICEE COCCNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700413 QEAWUGRSVHFQAT-MRXNPFEDSA-N 429.502 0.921 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)cc1 1132714894 ZRWZPYQOGAKFKU-FQEVSTJZSA-N 448.501 0.296 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1286474911 NAOXMJYHYMPCPQ-UHFFFAOYSA-N 427.534 0.463 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1286496290 PKIDWUOPNPFDGN-INIZCTEOSA-N 449.606 0.976 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286781715 YKERMFHFDCEASN-LSDHHAIUSA-N 438.492 0.285 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1300479090 IDSWHQQGTNRXKR-IAGOWNOFSA-N 449.577 0.860 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300763900 UFJNBQPSUPSTHA-QGZVFWFLSA-N 434.566 0.723 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301475461 RNTCWVCJTQJQOX-UHFFFAOYSA-N 446.556 0.446 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 1303049880 KIZITWQTOKCIRV-IBGZPJMESA-N 434.562 0.125 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1359048828 CAXQGOJKLQJRRA-ZDUSSCGKSA-N 429.568 0.644 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cc(CO)nn1 1359064072 KMJWNKFFUCLBDN-KBXCAEBGSA-N 436.542 0.055 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456063552 NGHGUJQAKRTCLX-IIBYNOLFSA-N 440.504 0.972 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccc(Cl)cc2)C1=O 1470351890 PKHIHMAOBYSLOD-GJZGRUSLSA-N 437.836 0.398 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 1476560338 VOCOOXVCCYGOTP-UHFFFAOYSA-N 427.870 0.288 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1507627051 CFOVRDLWCTUZKX-QGZVFWFLSA-N 436.501 0.620 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1507771578 CGNGWWIXVGBLSI-BLLLJJGKSA-N 433.456 0.851 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1507868225 FXCNZHPVXFWYBR-AWEZNQCLSA-N 446.961 0.326 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1517608288 FFWYESPTVAWVPU-UHFFFAOYSA-N 431.522 0.713 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539201322 ZZXMYELGIYBMQX-CVEARBPZSA-N 437.566 0.858 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1539231680 WUMROBLWLJAAMM-SFHVURJKSA-N 429.546 0.826 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555276796 RFUHJTCQVNKSTQ-IIAWOOMASA-N 426.518 0.341 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1588064119 BBZMFGVGQNERHL-INIZCTEOSA-N 431.547 0.849 30 10 ICEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OC 1588127159 IXHZOOWHUBRCNR-INIZCTEOSA-N 426.491 0.954 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCS(=O)(=O)N(C)C 1612884847 HLNWTCLENULVIR-CQSZACIVSA-N 445.553 0.424 30 10 ICEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618171692 IIHVGJRJQSHIPD-SUNYJGFJSA-N 426.516 0.502 30 10 ICEE CSCC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)c2ccccc2C1=O 1618171970 VGXKAMLRNJUMJA-GQWAEJPESA-N 447.538 0.801 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1nccn1C 1618182420 ZOKLQESDCRJAGD-SFTDATJTSA-N 436.516 0.925 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1623669535 RVNHSZUVIWSKFD-QUCCMNQESA-N 437.475 0.945 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1635993220 JKEVUXZAGMNJPN-OTQYULQBSA-N 443.548 0.667 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(C#N)CCOCC2)c1 1640486893 CHLPAKLJMFIWDN-UHFFFAOYSA-N 436.534 0.883 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)CC1 1673677725 DVNFBCGDQAGOHC-UHFFFAOYSA-N 432.861 0.883 30 10 ICEE COCCOCCN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1679945343 WGQCWDFZLIVCDW-SJORKVTESA-N 425.530 0.736 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2=O)cc1 1680778802 MVALHGFJPIJRDS-ZWKOTPCHSA-N 425.489 0.332 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1689875355 QDFWWDREUDTXMM-FGTMMUONSA-N 438.598 0.849 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690667612 ARZQLJBABKLIPV-INIZCTEOSA-N 428.541 0.612 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690669690 MFRFJXGSWGORFJ-MRXNPFEDSA-N 428.497 0.150 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690742135 HONOIOXKVVUPHS-GOEBONIOSA-N 447.565 0.915 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1697617492 CCKMHMWZAVPPIL-IIBYNOLFSA-N 428.493 0.661 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705559921 GZDKTVMCACDQRA-HOTGVXAUSA-N 446.533 0.835 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705886913 HNGAJMMQHNSTSQ-IRXDYDNUSA-N 425.603 0.679 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1706640317 YEZYWSMEPHGHDD-CZIZESTLSA-N 438.492 0.827 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1722739324 VEKYJCZOALMGRM-MRXNPFEDSA-N 429.612 0.868 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1729223598 ZLYPUNYAFTZURG-HXUWFJFHSA-N 443.533 0.615 30 10 ICEE COC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730566190 YRKSNERLVMAPGU-DXQAYGFFSA-N 443.508 0.513 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCSC2)CC1 1749009245 NNKIBRVTECQQHU-HXUWFJFHSA-N 427.534 0.569 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749234768 JFDWWWMGIXRVKS-UHFFFAOYSA-N 442.524 0.580 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cncc4nc(C)nn34)CC2)nnc1C(C)(C)C 1749682526 USCSHHRWZMMGAZ-UHFFFAOYSA-N 438.540 0.951 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)CCOC1 1750059844 CJSQIHAZMRKHQH-YJBOKZPZSA-N 428.559 0.806 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760249571 OLLSXVBZUAADFF-QGZVFWFLSA-N 433.534 0.824 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760557681 TUHGEPGCYMLGQI-AWEZNQCLSA-N 431.584 0.302 30 10 ICEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CNC(=O)C(F)(F)F)C1 2267142368 SOZBUOUASAEXQF-NSHDSACASA-N 445.251 0.144 30 10 ICEE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N=c1nc(C#CCO)[nH]s1 2364286449 SFDKUOCTYHWNAR-UHFFFAOYSA-N 448.526 0.902 30 10 ICEE N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccccn2)c(=O)n1Cc1ccccc1 105753225 ZMBOZILAGMCSSK-FYNIDAKTSA-N 432.505 0.715 30 10 ICEE CC(C)/N=C(\NC(C)C)SCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12 146504342 QADCFKFWDVDMNO-IUODEOHRSA-N 430.552 0.213 30 10 ICEE Cn1c(=O)c2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)cnc2n(C)c1=O 479218970 QGLNYVRXIPCUDE-UHFFFAOYSA-N 432.484 0.920 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2)c1=O 502058187 OUTNQWJERHKTCH-UHFFFAOYSA-N 439.472 0.133 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1=O 520916246 SMIHCGSEJVDHHK-CQSZACIVSA-N 435.458 0.555 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598914 ZBGYULBDFMKALK-AWEZNQCLSA-N 428.514 0.462 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CCN1C1CC1 732708544 TVOSDTLEMHHNNN-ZWKOTPCHSA-N 446.529 0.777 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 735069314 SMSCRWPLPBQGAW-KRWDZBQOSA-N 443.573 0.971 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CC(=O)N(C)C 735069642 XHQQQKPPDUBIOY-UHFFFAOYSA-N 444.561 0.024 30 10 ICEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1C#N 746867969 KCKAWTUGTVWIGO-UHFFFAOYSA-N 428.470 0.617 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOCC2CC2)CC1 751719894 MDJXHEHOQUEUEW-UHFFFAOYSA-N 435.502 0.751 30 10 ICEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ncccc2C#N)CC1 1135889359 DYIAHYIZTRPCMD-BBRMVZONSA-N 435.531 0.391 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)n(Cc2ccco2)c1C 1198061076 OLYFBGRYBOFBIH-OAHLLOKOSA-N 432.506 0.391 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286396768 WJUVGKUPLAFRDD-ZWKOTPCHSA-N 437.566 0.131 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1286408658 FFLIYPXOTQOYDE-SFHVURJKSA-N 444.517 0.136 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1286430463 HMATXTWHMJESJA-LJQANCHMSA-N 442.545 0.712 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286664453 WYMCARVMPQDGNI-YJBOKZPZSA-N 444.579 0.132 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286807896 HFJOURDMLPOUSI-PLGXQAJASA-N 441.492 0.537 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1291232574 OWMQSTMIRCQDKA-NXHAUGRDSA-N 436.476 0.533 30 10 ICEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1293384552 ADQZLFOMTKRMDN-HNNXBMFYSA-N 425.445 0.267 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncn(C)n2)CC1 1300689348 UPZREVZAEXKKSW-UHFFFAOYSA-N 440.533 0.281 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1301297292 ORYAZAXRKLMLGN-OAHLLOKOSA-N 447.583 0.058 30 10 ICEE CC(C)Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302909478 RVNUCJDMRCMEQR-DNZUHHBVSA-N 436.538 0.626 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 1311575968 JPFOSSAEFCHKRH-MRXNPFEDSA-N 425.580 0.680 30 10 ICEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCC1 1323540152 GJPLRYJJMREHCS-ZPHPHTNESA-N 428.493 0.722 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1358955957 XOKCGVQBSFFTTC-OAHLLOKOSA-N 442.501 0.654 30 10 ICEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1450340105 JDSWMOORMUGSMR-NWDGAFQWSA-N 431.308 0.630 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1 1478444933 PJCLROFLRQOCMG-QGZVFWFLSA-N 425.555 0.105 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1494127802 HOGMLLNUNBCTQO-ZDUSSCGKSA-N 447.446 0.777 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507634178 WYRZZZZBMACYHM-JKSUJKDBSA-N 444.579 0.581 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508079527 YFFJELLOZOANKW-HNNXBMFYSA-N 447.517 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508143820 KUOAREUUXRHBLV-INIZCTEOSA-N 432.550 0.922 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N1CCOCC1 1516585720 HNAWOCGKKDFRRQ-UHFFFAOYSA-N 440.508 0.267 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539203627 SWFQLCHOCSVERT-OAHLLOKOSA-N 425.555 0.858 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(=O)(=O)CC 1587599449 NMHFAVITOQDSOZ-HNNXBMFYSA-N 443.537 0.708 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588059390 NDKNAAGNVCLTOA-INIZCTEOSA-N 431.518 0.380 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)CC1 1588811336 GWAREXAXTSZYLE-SFHVURJKSA-N 429.546 0.992 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1611320860 AKBOGLXPNYCXLM-ZIAGYGMSSA-N 444.435 0.706 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1616927210 JMVFVTLMRPQWLS-XLIONFOSSA-N 442.582 0.488 30 10 ICEE C=CC[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OCC 1632661050 RVSYMFRQPJQXDM-PJIJBLCYSA-N 430.523 0.892 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2ncc(Br)n2C1)c1cc[nH]n1 1637341036 QCDZQCAKRCWYIU-JTQLQIEISA-N 439.270 0.784 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1690077644 SVWXMPUGUSDEBX-ROUUACIJSA-N 438.598 0.802 30 10 ICEE Cn1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1696886371 GEDSTMLPHXGXIW-SFHVURJKSA-N 444.862 0.875 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC#C)CC1 1705516986 MNSUECVZRFTFRC-GOSISDBHSA-N 431.562 0.950 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1705571007 UCPMHSFRLDKNOC-RTBURBONSA-N 437.610 0.950 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1705876300 UCMGJJUDOCGOSG-KRWDZBQOSA-N 435.554 0.766 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1705884551 RGIYNDRSDONLJA-INIZCTEOSA-N 443.570 0.555 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705899720 DTDCTYCQAPZCFI-UHFFFAOYSA-N 433.538 0.408 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1705933919 VUTUGVIDBJTIGS-UHFFFAOYSA-N 437.522 0.918 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722865259 ZDOVCIZKIBFSNA-FSZRXZPDSA-N 426.543 0.822 30 10 ICEE CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729228583 NCMLBWXIUGQFKW-PMERELPUSA-N 431.522 0.720 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1740744887 HIRSHBAIARPETA-LBPRGKRZSA-N 447.359 0.550 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740757063 MXDBTZAVACERTO-FXAWDEMLSA-N 442.568 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740991255 RRWIWGKBSGHTFH-QGZVFWFLSA-N 425.555 0.878 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1748199913 NRGDQVAXPQPPOG-XZOUCZQKSA-N 443.508 0.271 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749211478 YSVWLCFWMZFHAX-UHFFFAOYSA-N 433.557 0.317 30 10 ICEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749386954 PMIBWHTUIJSENT-UHFFFAOYSA-N 431.541 0.700 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1749402146 KKZIEDHYLBBGGK-HZPDHXFCSA-N 441.554 0.967 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1749681922 KVFOVCIJWGTAKF-FQEVSTJZSA-N 434.497 0.311 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1749721275 FLCABKXINOBBHB-UHFFFAOYSA-N 426.543 0.124 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749730547 IBLZFLRZOLZGGW-INIZCTEOSA-N 428.522 0.512 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2=O)CC1=O 1854019285 URPABOYXPJFECF-CYBMUJFWSA-N 425.894 0.734 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)CC1 439597722 ODJGTBDRYVRVNU-UHFFFAOYSA-N 433.534 0.713 30 10 ICEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 439811579 VMVLLAIXJUYLTN-LMSBXDPUSA-N 434.470 0.425 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 508800230 DVQUWBZOOFGMTD-AWEZNQCLSA-N 436.542 0.590 30 10 ICEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)Cc1nnnn1C 508841754 UFFOHKCASJBXFP-UHFFFAOYSA-N 436.524 0.582 30 10 ICEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1C 524282930 SXFBLKWFEIPXLC-UHFFFAOYSA-N 428.514 0.048 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=C)C)CC1 549249742 HSCRQMALPADRTK-UHFFFAOYSA-N 448.535 0.921 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 780205342 LVKJOJQIENIHKQ-AOIWGVFYSA-N 436.486 0.330 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 814249710 WPWXMVYAZOQGTM-AWEZNQCLSA-N 449.483 0.332 30 10 ICEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C 1156670066 OXNSVSQYVKVEPQ-LPHOPBHVSA-N 439.559 0.759 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 1286780057 AQBDGDBAAOGISA-UHFFFAOYSA-N 432.554 0.892 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1286792896 KXDVTBTZNLWDKA-OPAMFIHVSA-N 446.552 0.727 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286793237 ALUHBFFRNFPVSO-NRFANRHFSA-N 444.540 0.293 30 10 ICEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301036648 DXMDEERHIHQVJA-UMVBOHGHSA-N 429.522 0.049 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1301481954 RAJAEGKZYIWRBA-PBHICJAKSA-N 446.483 0.811 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1301969701 ZUZGYODLWPOYHV-SJORKVTESA-N 437.570 0.469 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 1304265017 RRSDVSVUICASEE-LLVKDONJSA-N 427.324 0.894 30 10 ICEE Cn1cc([C@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1463163530 OHKJVWFHQONXSG-NVALYEJGSA-N 433.534 0.505 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507540429 DXCXCEQHOSQGAO-ROUUACIJSA-N 429.569 0.801 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1507671542 LVSQLANEGPCVJZ-IBGZPJMESA-N 448.593 0.560 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1507755176 RYRBUWMFSVKKKH-INIZCTEOSA-N 434.566 0.575 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1517623959 BPBNKVPGGCZIRF-AWEZNQCLSA-N 447.521 0.643 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1539516808 DKABSQNCGATXII-SJORKVTESA-N 439.607 0.899 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1539538081 BPNBAHAIAVZXHT-CRAIPNDOSA-N 425.555 0.812 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539804452 WAOSFUHSNVQCGV-DYVFJYSZSA-N 444.945 0.222 30 10 ICEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1555808483 AVDWPHWZIPYBOZ-UHFFFAOYSA-N 435.506 0.627 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1555993171 JUCRYNWQDNUWQW-KFWWJZLASA-N 439.467 0.314 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1588053849 IMWBQMXYKRWSKR-QGZVFWFLSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595529758 GONMJXDPPDZNOL-ZBFHGGJFSA-N 447.565 0.748 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595537611 UDVHMPZSIPASLN-LPHOPBHVSA-N 429.569 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1595831770 VTMRHHRTVNKACJ-JTDSTZFVSA-N 428.555 0.738 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1612144672 NLWOWJYWKLOILI-QGZVFWFLSA-N 434.522 0.834 30 10 ICEE CCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613957791 HLCYVDCVPHHOGI-ZZEZOPTASA-N 445.524 0.346 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cc[nH]n1 1616898925 CDRRTIAAXWLGNZ-CQSZACIVSA-N 436.490 0.981 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 1640509030 HNQSDFVIVRRQNO-QUCCMNQESA-N 444.557 0.674 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)C1=O 1641026146 ZUSSCRYSHISOON-UHFFFAOYSA-N 427.392 0.952 30 10 ICEE C[C@H](CC(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1653312253 GMZWBEMMGSRAAZ-CHWSQXEVSA-N 430.490 0.394 30 10 ICEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1689906886 UUUBOSKMFXKVLU-IBGZPJMESA-N 425.555 0.815 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1689949263 WZBCEORMQCAYTA-FQEVSTJZSA-N 433.534 0.978 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982400 MKSPJPIBONCBPV-QGZVFWFLSA-N 426.502 0.532 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1690001532 LSWQDJFPWLPTGC-QZTJIDSGSA-N 436.582 0.462 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1692538341 HSONMTQDCRPUIL-SFHVURJKSA-N 442.568 0.899 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1705628350 DODKYVANBZPXLS-KRWDZBQOSA-N 440.566 0.709 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1705936792 YMAHSUKPWBQTQR-AWEZNQCLSA-N 425.511 0.462 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722701558 UUOAFOVOCUXYKE-SFHVURJKSA-N 447.561 0.997 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N1CCOCC1 1729069073 FEAVFSCNEZMFJY-UHFFFAOYSA-N 440.508 0.267 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740622854 JSFWMOXVGZZBBM-ZWOKBUDYSA-N 440.566 0.934 30 10 ICEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNS(C)(=O)=O)CC1 1740699437 GXUZFOFMURYXTM-UHFFFAOYSA-N 446.577 0.778 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O)C1CC1 1740910524 OSOJLPUVIKIDPD-CQSZACIVSA-N 429.568 0.371 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)(F)F)CC1 1749328690 AMUZTNDGJCGLAY-LLVKDONJSA-N 438.476 0.969 30 10 ICEE CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1768257645 YETKYERMXMWHFM-CRAIPNDOSA-N 427.527 0.482 30 10 ICEE C=C(C)CN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)C1 1854489743 MYWMQJFKFBYNPK-ZDUSSCGKSA-N 428.415 0.864 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4ccccc43)C(=O)C2)C1 1856871064 OBQUWSIGTPDSNC-HKUYNNGSSA-N 430.530 0.705 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)C1 1858334812 JBSRKAJVVSDKOA-HNNXBMFYSA-N 438.465 0.734 30 10 ICEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718788 OWKVNEQXXHIBMM-HNNXBMFYSA-N 426.473 0.870 30 10 ICEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(CCO)CC1 1870494789 VIIXZLYZQQNFIY-UHFFFAOYSA-N 432.565 0.782 30 10 ICEE C#CCN(CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2210482986 VMJIOWSZTMFMGD-IIAWOOMASA-N 427.498 0.314 30 10 ICEE CN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)OC(C)(C)C 2247952903 PLYDVMDOTIZVPU-UHFFFAOYSA-N 444.363 0.865 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)n1 2255607455 ZLOHAKSFAXTGSQ-UHFFFAOYSA-N 437.306 0.138 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267537177 PCZQRGAVLFQBBU-LSDHHAIUSA-N 448.329 0.876 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268705937 HYIPCTFMZHEZNM-CWRNSKLLSA-N 449.313 0.660 30 10 ICEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508890432 XIDZJUUYKHUCSC-ZDUSSCGKSA-N 441.521 0.988 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC(C)C)C1 549689226 XWXPNFCZIOCRSR-SJORKVTESA-N 443.570 0.817 30 10 ICEE CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 555097690 UVAXFIUXIWNKDE-UHFFFAOYSA-N 431.522 0.536 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC(C)C)C1 566985086 INHCYUTXZPCAIN-CVEARBPZSA-N 429.543 0.427 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 589158842 DDFQCEGVPSDUSY-UHFFFAOYSA-N 437.452 0.929 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669313 KNQCHPRRHJYCGM-UHFFFAOYSA-N 425.514 0.622 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732649990 DTHAAMGZPPRASG-LJQANCHMSA-N 445.545 0.352 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)CC1 758648638 IHYWNDLELZXTBL-UHFFFAOYSA-N 440.541 0.916 30 10 ICEE CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1130636400 JPUGQBQEDCJMAW-OAHLLOKOSA-N 431.559 0.914 30 10 ICEE C#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1141593077 AODXSJXEBWVSLC-MRXNPFEDSA-N 448.545 0.510 30 10 ICEE C=CCN(C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCS(=O)(=O)C1 1142059343 JWGIZPVHJYSMEH-ZDUSSCGKSA-N 425.511 0.885 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1286399782 NYVWQOLUDARDCS-MRXNPFEDSA-N 425.518 0.852 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1286409083 IBOAMCQJNKDZFC-QYZOEREBSA-N 447.561 0.665 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NCCC)CC1 1286490286 PMAJEVIJXMIUIH-UHFFFAOYSA-N 426.525 0.561 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1286712440 ZCFUPDJNOPMIAZ-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1286758090 COGFMNDOWKACHH-KXBFYZLASA-N 438.554 0.268 30 10 ICEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 1307439127 UZCYCCSMQLFVPU-KRWDZBQOSA-N 434.541 0.995 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962042 JDARJBMZAPRYFR-ROUUACIJSA-N 448.593 0.732 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359044845 PVUCJJLXZNKMRK-GJZGRUSLSA-N 436.463 0.619 30 10 ICEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)n1 1492519058 AKMSNOPZVWEUEP-OAHLLOKOSA-N 432.506 0.317 30 10 ICEE CCN(c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1501648493 IGQFXDSWMBNYAG-AMGRQBIBSA-N 448.549 0.770 30 10 ICEE CN(C)CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1538089098 KSBGONKGODANCM-UHFFFAOYSA-N 447.561 0.191 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1539012256 FIGLYHHJIMKBEM-AAEUAGOBSA-N 425.540 0.277 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1539325905 PRUUWJUTXUZUJF-WIYYLYMNSA-N 449.577 0.889 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539430746 NAXRWKKAKKZYCV-IRXDYDNUSA-N 425.555 0.192 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1544748554 UFSLRYPCXZRQQV-STXHMFSFSA-N 431.518 0.980 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588173528 DXEQWWQAFBNUOK-IBGZPJMESA-N 441.580 0.822 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1588752981 YHGXZLABJIINQC-HSZRJFAPSA-N 446.596 0.796 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1588811386 IBPBNBOSXUIJON-SFHVURJKSA-N 444.561 0.427 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589059513 GQUSLYUOLPGEAQ-CVEARBPZSA-N 432.550 0.423 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589134390 IVELBJRLNZYLSB-XHSDSOJGSA-N 428.580 0.992 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1595393117 INCAJRFFFAUFAB-MJGOQNOKSA-N 426.521 0.977 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1595476172 IQBJCJWNQGKNBT-SOUVJXGZSA-N 426.543 0.338 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595529808 ILHPHWDYKFRTJZ-MRXNPFEDSA-N 426.525 0.723 30 10 ICEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1611054218 IMHMLGCUCYTBRO-HOTGVXAUSA-N 442.542 0.155 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)C1=O 1618460250 ZPPOVTDIQJBBAW-LJQANCHMSA-N 431.522 0.280 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1626966906 VZBNXBLUXHIQBJ-UHFFFAOYSA-N 444.333 0.651 30 10 ICEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1627854133 DSDLLNQJPYMMAK-OAHLLOKOSA-N 439.472 0.521 30 10 ICEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1634555094 PVHVTFNLRNOWGU-SFHVURJKSA-N 448.589 0.849 30 10 ICEE CC(C)NS(=O)(=O)NCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638508092 QJILVOSDOICBEA-UHFFFAOYSA-N 444.355 0.706 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 1674837857 BFDKRZSCNMTOND-UHFFFAOYSA-N 435.428 0.318 30 10 ICEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C2)nc1 1685211373 LLNSWCSHFJTSPW-SFHVURJKSA-N 436.472 0.549 30 10 ICEE C#CCN(c1nnc(C)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689982674 RXGCELJQIBJKNR-SFHVURJKSA-N 436.559 0.828 30 10 ICEE CCOCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696253283 VQKPSRPFDHPFEX-JVMRMLDLSA-N 445.524 0.646 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705568233 JOWWRURTOSNGIL-IRXDYDNUSA-N 435.550 0.452 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722451656 MIEGHAFVBORTGY-UONOGXRCSA-N 449.624 0.268 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722604225 WJQXELXELOZVFZ-HZPDHXFCSA-N 440.570 0.634 30 10 ICEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1723713871 VKTMWPHZQIKZDZ-SFHVURJKSA-N 437.504 0.779 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749428097 YONQPTFXGVZERW-OWCLPIDISA-N 429.543 0.427 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)n1 1851401108 XSRBYSOMDXLJHH-SFHVURJKSA-N 444.492 0.989 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(O)c1 1865729614 QXIFTNFITUJALG-HNNXBMFYSA-N 440.456 0.390 30 10 ICEE C#CC[C@H](N)C(=O)Nc1c(I)ncnc1I 1983726787 KGOZIMFKWBXGFG-YFKPBYRVSA-N 441.998 0.975 30 10 ICEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCN)cn1 2164486147 DYGXLRPXECUSGI-IBGZPJMESA-N 431.449 0.553 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 461414909 ARNXJFQYBOWXDS-HZPDHXFCSA-N 429.543 0.286 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)c1 522980816 FKGFHJASULRHQY-UHFFFAOYSA-N 425.537 0.729 30 10 ICEE Cc1nccc(N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n1 587659597 UDPVTGQALXVQIN-UHFFFAOYSA-N 434.504 0.486 30 10 ICEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC1 732937989 SYKXNUJUHYSAGW-WMZOPIPTSA-N 433.490 0.947 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)nc3)CC2)cc1 734600834 IHPYQINTEVKATB-UHFFFAOYSA-N 444.469 0.652 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCN2CCc3ccccc32)c1 795332021 BUAMQUIMNYBLPW-UHFFFAOYSA-N 442.497 0.559 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CCN1C1CC1 796813074 TWCWPOLLNXINPK-OAHLLOKOSA-N 432.506 0.003 30 10 ICEE N#CCNC(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1227976704 UOYHNHLPPVZWNP-ZDUSSCGKSA-N 441.229 0.113 30 10 ICEE C=CCCn1cc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)nn1 1265187682 VOXFXCUCAPYYGA-UHFFFAOYSA-N 433.490 0.791 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1286432058 WNDXZTRCITVRDZ-GOSISDBHSA-N 448.593 0.558 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1301188127 GHDKPYVSJKOVDK-OAHLLOKOSA-N 431.584 0.618 30 10 ICEE CN1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 1314925872 DAZXZGCCLRSLCS-OALUTQOASA-N 433.513 0.778 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC(OCC)C2)CC1 1359043936 OKVKALWNCVDRSX-UHFFFAOYSA-N 441.536 0.574 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359299904 PMOKGWJECHMDIY-INIZCTEOSA-N 444.540 0.259 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539231528 SWIDSPDPGOAKEX-VQIMIIECSA-N 441.623 0.879 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1539265509 HCNOANOJRHYKTO-INIZCTEOSA-N 425.580 0.827 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1540902167 BZGBZTOUQWAEJO-HOTGVXAUSA-N 441.554 0.460 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1545860812 GFSJHHXQIFHZPZ-UHFFFAOYSA-N 425.559 0.876 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1595799026 VUTVIXGZKWTZNE-CQSZACIVSA-N 443.551 0.714 30 10 ICEE CNC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(OC)c(F)c1 1627448790 QNJQFHBGGDKREG-WDWGUKLMSA-N 432.452 0.772 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)C2=O)cc1 1643445836 OBCJFSUVQCGIAI-IKGGRYGDSA-N 430.486 0.941 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1660902180 ILHKSOXFEUTFNA-HUUCEWRRSA-N 436.552 0.074 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cc(Br)ccc2F)CC1 1677867065 ULRKIEBYTBCRNI-UHFFFAOYSA-N 447.330 0.926 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1690124730 SGAZVTXZORRCHE-CQSZACIVSA-N 435.472 0.862 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1690527288 MRIFNFGBROLKJF-HNNXBMFYSA-N 430.600 0.282 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690722225 BKGKXTYIGOFZTK-HNAYVOBHSA-N 436.538 0.664 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690723842 BYWORVKTOFQWNH-DLBZAZTESA-N 437.566 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690725150 HKAAHWFTHUSFBW-OAHLLOKOSA-N 431.584 0.446 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705570297 ODXRJSCWWKMESJ-IRXDYDNUSA-N 436.559 0.973 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705578401 QTMAZWHANGCYME-UHFFFAOYSA-N 428.514 0.966 30 10 ICEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCS(=O)(=O)CC1 1705846831 UIQLRDPGCPEJFT-UHFFFAOYSA-N 439.563 0.832 30 10 ICEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1705883547 MDKWJKOYNIXJFI-UHFFFAOYSA-N 446.533 0.875 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705938018 LAKHGOHNMSJEBT-KGLIPLIRSA-N 439.494 0.115 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C(=O)NC 1740752313 VODZXCFRMUXCRT-JJXSEGSLSA-N 442.586 0.688 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740951829 OROHVXINLAGJQG-MRXNPFEDSA-N 435.492 0.404 30 10 ICEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1742834403 DKZOHTXXELQWAX-QGZVFWFLSA-N 430.538 0.461 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1748814819 JOTIXGBJHKZECD-INIZCTEOSA-N 428.580 0.997 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748889449 KEZNRQFZXZZUOI-NRFANRHFSA-N 428.514 0.966 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)CC1 1748971340 MIMGVOHZQUCHHE-UHFFFAOYSA-N 431.541 0.794 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccn(CC)c2=O)CC1 1748978597 NYZXOGYWLXQOBE-QHCPKHFHSA-N 440.548 0.915 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749731397 CMCBJFCLRVEXBD-UHFFFAOYSA-N 436.582 0.547 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1750209805 HTESEXOYBRRFLD-IBGZPJMESA-N 448.574 0.766 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760272341 HGMCDYYWXVSWSY-OAHLLOKOSA-N 445.549 0.353 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1760505023 INEAVMWXSSMQKV-INIZCTEOSA-N 446.595 0.644 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1760529871 HZHMBISJSCJFCX-GDBMZVCRSA-N 448.549 0.813 30 10 ICEE COCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1769372419 CPSDBAAGVQEJHS-ZBEGNZNMSA-N 443.530 0.981 30 10 ICEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)CC1 1858309083 NVAOTPYTKGUSNZ-INIZCTEOSA-N 440.547 0.109 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622284 IULGOIMBKVUXED-UHFFFAOYSA-N 426.525 0.438 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCO)nc1C 1872649414 XXWKFBMGKCUPBL-UHFFFAOYSA-N 439.450 0.236 30 10 ICEE 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 2213501043 UQIXGLWNYOGQFU-ZJIFWQFVSA-N 441.525 0.750 30 10 ICEE Cn1ncc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255822005 IUKRKHPCKCAEHX-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE Cn1cc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522978 YTDRKYWDPKBWBT-SFHVURJKSA-N 439.369 0.923 30 10 ICEE CC(C)OC[C@H](O)Cn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C 254301414 KKBMLRBEVZTLIV-CQSZACIVSA-N 430.465 0.371 30 10 ICEE COc1cc(CNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ccc1C#N 562240729 UUQUTRJUVXPAPJ-UHFFFAOYSA-N 432.506 0.953 30 10 ICEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CCO1 729981481 XULAZJLKNGPCBA-GFCCVEGCSA-N 444.307 0.835 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 771732086 NMPKVLVBFDGTOD-LBPRGKRZSA-N 431.488 0.301 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1C#N 803659804 WYYFHJSHURKAMD-UHFFFAOYSA-N 437.500 0.791 30 10 ICEE O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C2CC2)CC1 853669228 FSNKFUXGEOQZGJ-UHFFFAOYSA-N 434.518 0.401 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 916972166 GNULPWNYGFYQDD-UHFFFAOYSA-N 433.528 0.198 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 919548073 KEQHLOIYOSEESW-IBGZPJMESA-N 440.504 0.956 30 10 ICEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1286381472 MLVSTWMORZJBQT-UHFFFAOYSA-N 434.518 0.875 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286387012 MGLARGBCIBSRBY-INIZCTEOSA-N 437.547 0.402 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1286948756 WEATYODWOMHRLW-JVMRMLDLSA-N 445.524 0.344 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CSC1 1307917700 ATQHWMQPPRTGJE-UHFFFAOYSA-N 435.571 0.773 30 10 ICEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nn1 1308629098 IUQRBZYVDCHBFY-UHFFFAOYSA-N 432.506 0.692 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359297603 VWWJEVYDNOVPFX-UHFFFAOYSA-N 440.552 0.633 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1359301491 ZXRQHAVMNMXEEB-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1507628912 JAUDSWPIKZKXDH-IBGZPJMESA-N 443.529 0.842 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507715846 IZXMKGIINSAEPD-UHFFFAOYSA-N 441.580 0.918 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539230311 LLJDRHOEYLSRLD-DLBZAZTESA-N 438.529 0.751 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCO[C@H]1C 1539306842 LDWJCYYMQZNJOG-JTSKRJEESA-N 432.488 0.924 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1539415956 IQSJWOXULZIHJW-GOSISDBHSA-N 445.545 0.674 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539619768 HXKJUDQXUVGRSU-QZTJIDSGSA-N 432.525 0.075 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539751795 UXFOGFXAQJHUOA-BZUAXINKSA-N 442.538 0.133 30 10 ICEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539962742 BDUOEVFFQZWYFL-KRWDZBQOSA-N 443.552 0.857 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540859806 KBWPDXCNHOPZME-UHFFFAOYSA-N 435.510 0.227 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1588139756 QYGOJKLPHRWBAW-INIZCTEOSA-N 443.504 0.822 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1588673566 SQDLBUBFNQPEOJ-UHFFFAOYSA-N 429.525 0.508 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1595516498 DVNMPNQVRBBLNQ-MRXNPFEDSA-N 440.504 0.981 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1656641582 FRDPULPLIGFIRC-UHFFFAOYSA-N 428.355 0.285 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1682263128 KTMUDZJOLKJZKJ-QGZVFWFLSA-N 432.496 0.910 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c1 1685772850 OSOKWZGXFCWMIH-UHFFFAOYSA-N 428.536 0.116 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692507515 VJLKEKZOKRGZSF-DXQAYGFFSA-N 445.524 0.806 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1698254862 OPGKCRJFMQLWDA-FHWLQOOXSA-N 448.568 0.966 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705661900 LCMGOSZLGDKNCU-LSDHHAIUSA-N 430.538 0.680 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)COCCO1 1706867068 NKYCJOJGYRHSEW-RDTXWAMCSA-N 426.543 0.824 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)CC 1722387111 GNGYWKWPFYKEPN-UHFFFAOYSA-N 429.506 0.328 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722696698 CRHHJBPAEUHVLG-INIZCTEOSA-N 438.554 0.089 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1722732329 KEZILUBFBPCMKK-CYBMUJFWSA-N 430.600 0.770 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1729729008 JXWQJXSOXANIBX-UHFFFAOYSA-N 426.525 0.856 30 10 ICEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1731186805 GVYLXEANTFNMQM-RXVVDRJESA-N 445.545 0.732 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1740610982 QAQIJSOIHMQYHO-ROUUACIJSA-N 436.582 0.697 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1740965481 QCAOQSUWXUQPOY-OAQYLSRUSA-N 434.541 0.537 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1746700351 LKMIQYXWMMWOMZ-SJORKVTESA-N 430.506 0.311 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1748822132 YRMGYEADHIMRGG-GOSISDBHSA-N 442.545 0.665 30 10 ICEE C=C(Cl)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749284208 HMHXYGGPYUYECF-LIRRHRJNSA-N 438.916 0.218 30 10 ICEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1749383850 JOHNQCZBGRPTGH-HNAYVOBHSA-N 425.555 0.961 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749650308 RQNZOOOOBXVXGK-INIZCTEOSA-N 440.508 0.532 30 10 ICEE C#CCN(c1nnc(CC)n1CCn1cc([C@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1760187567 WVZPNCNHKUBRQK-WMZOPIPTSA-N 432.550 0.868 30 10 ICEE Cc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 1866639159 RGJLBJSYUPRHCD-KRWDZBQOSA-N 430.486 0.846 30 10 ICEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@H]1NC(=O)C(F)(F)F 2267272334 YYZHHKSQSQCKHR-WDEREUQCSA-N 445.251 0.643 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 443686206 PHHGCRMORAVAHK-UHFFFAOYSA-N 441.922 0.884 30 10 ICEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 491325102 ZGXGRJJKLHFZJF-UHFFFAOYSA-N 435.531 0.762 30 10 ICEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCNC(C)=O 730137679 GYQQMCMZZHZVLY-KRWDZBQOSA-N 435.550 0.831 30 10 ICEE Cn1cc(/C=C\C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)n(C)c1=O 749375293 ORSIPOLOOCEAFR-KQQSKNTNSA-N 425.470 0.509 30 10 ICEE CCc1c(C(=O)OCC(=O)NC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 754351587 SOOQUXMEAILDST-UHFFFAOYSA-N 427.461 0.694 30 10 ICEE Cc1cc(N2CCC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n(C)n1 768313259 KQIMATZFOYGAGP-OAHLLOKOSA-N 430.534 0.942 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cn1 794580598 XRFRTPLVDIPLMR-IRXDYDNUSA-N 442.541 0.804 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccc(F)cc4)n3)n2C)n(C)c1=O 1084171924 POIVEYDQZVXETQ-UHFFFAOYSA-N 429.441 0.825 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc[nH]n1 1138034131 RZBAQVSKBRYXHZ-MRXNPFEDSA-N 427.461 0.858 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 1220595046 IJXOQWMJGUNKJG-UHFFFAOYSA-N 435.337 0.595 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1286287331 AXMFDXHJVJKKDW-OAHLLOKOSA-N 449.515 0.932 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(CC)CC 1286296445 OTQMLLHVRFRMCU-DLBZAZTESA-N 426.587 0.801 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1300697688 HHSMZKFJGBFTDB-UHFFFAOYSA-N 448.531 0.426 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnnn2C)CC1 1300716543 NRRIPYLPFYZQLG-NRFANRHFSA-N 442.524 0.073 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1300780599 UQFWXXDLYWTAMY-ABSDTBQOSA-N 438.598 0.849 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1315070256 DCNMKEVMWOARFG-GOSISDBHSA-N 445.549 0.877 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 1359287710 RPDISMUXOHCPBR-INIZCTEOSA-N 425.555 0.735 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)C2)C1 1443862372 AVCOLDHRZIRDHV-QXGUJMOYSA-N 426.539 0.923 30 10 ICEE COC(=O)C1([C@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CCC1 1456387581 BJONNHMRMOXNAM-BTYIYWSLSA-N 449.529 0.922 30 10 ICEE C#CCNC(=O)CN1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1473502697 VDCNFDHFCQATTE-SFTDATJTSA-N 444.576 0.850 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCN(C)C)CC1 1507715927 KCFTVAPOACOWJG-UHFFFAOYSA-N 426.525 0.259 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCNS(C)(=O)=O)CC1 1507732821 TWKYXEGFEGPWTN-UHFFFAOYSA-N 436.513 0.301 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1513984681 SALWIYKHMGFRCX-YEQJUMHLSA-N 443.508 0.761 30 10 ICEE COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1540844095 HNQHRHZMJPEJDB-CELYABABSA-N 434.493 0.663 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540874257 ZTJSGUVDNQJZPM-CHWSQXEVSA-N 430.431 0.859 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1OC 1555786706 HQUXMLLAWYUFGI-HDICACEKSA-N 426.477 0.526 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588058848 DOQQEAIIVVCSLW-DENIHFKCSA-N 444.557 0.955 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1588073650 AZGMCAAQBCVWNH-SJORKVTESA-N 432.550 0.900 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1588129000 WMWXKVAMXAQKMM-UHFFFAOYSA-N 427.472 0.925 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1588574259 BKUISHOEVWXQDB-JKSUJKDBSA-N 425.555 0.791 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1594733316 QUAYVQIIHZMDLX-VQIMIIECSA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595536848 HGIXGHPZKJOUGP-HRAATJIYSA-N 428.468 0.768 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c1 1642937756 XOFULHYECKYILB-LJQANCHMSA-N 438.571 0.819 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 1653972175 FFNKUNXONZETEA-UHFFFAOYSA-N 441.557 0.836 30 10 ICEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1658677124 MOZMBHIEEUVAEV-SJORKVTESA-N 437.518 0.224 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 1681204915 SIPKVFNUIAQEEH-UHFFFAOYSA-N 433.578 0.836 30 10 ICEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)NCC#CCO)CC[C@@H]32)CC1 1687394810 ZOKQNLFEYKIHTL-SJORKVTESA-N 435.525 0.559 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1693745276 HYCVWOHVBYIEHK-CQSZACIVSA-N 433.476 0.637 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705566416 NZCWUFVPVVPVQI-SFHVURJKSA-N 425.518 0.943 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705734937 FMTIECRYLGVJOJ-SFHVURJKSA-N 445.568 0.566 30 10 ICEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705799888 JBPYFGDNBLODQJ-LSDHHAIUSA-N 425.559 0.801 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1705901889 ZFUQCUPYMHABMN-HNNXBMFYSA-N 447.446 0.885 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722451657 MIEGHAFVBORTGY-ZIAGYGMSSA-N 449.624 0.268 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1722619075 YGOGIBLOFNAMDL-JKSUJKDBSA-N 441.554 0.967 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1722704896 ZAOFOCWREXFXEW-UTKZUKDTSA-N 445.524 0.334 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1722733598 YSMOCIKBQSJQOZ-OAHLLOKOSA-N 448.549 0.828 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC1 1740705195 CKZOVQFCIRLQRZ-HRAATJIYSA-N 430.509 0.001 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740965980 USZYSMBLNZOQOK-IERDGZPVSA-N 434.541 0.583 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCN(C)C2)C1 1740971342 WGPBIWZVVMBALH-IERDGZPVSA-N 427.509 0.773 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740992481 QSMVILGIVYBZSX-PXNSSMCTSA-N 439.582 0.684 30 10 ICEE CC1(C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1742006420 SVHCKTMAVDKQHJ-HNENSFHCSA-N 443.508 0.542 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748817350 JMOQTAHDZOGBBC-DLBZAZTESA-N 442.607 0.914 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748818325 YXAYCOFHBUSGRQ-DLBZAZTESA-N 449.577 0.715 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)CC1 1748988798 BNFVIUIIPBQTHJ-IAGOWNOFSA-N 436.582 0.240 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749626132 QXOFWCQQKHJVPE-MRXNPFEDSA-N 429.525 0.356 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1760118162 ZGFONKLYZODCMJ-RHSMWYFYSA-N 435.554 0.733 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1760189293 HHBRKPMJDXYYBI-GOSISDBHSA-N 430.534 0.417 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760514468 GPMQAHWZLXXTEM-OAHLLOKOSA-N 428.493 0.995 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1=O 1769056306 QZEVTBIUSDLLGC-UZLBHIALSA-N 428.518 0.918 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2=O)CC1=O 1853843866 GFXFZOWBUXUAMI-OAHLLOKOSA-N 435.502 0.398 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(OC)c3)[C@H](C)C2=O)CC1=O 1854710958 YNKAQXRZDBQHGV-HUUCEWRRSA-N 435.502 0.478 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2081007540 ACDMJVXKPLTAOK-RDUHTLEXSA-N 438.330 0.878 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 439811558 VMVLLAIXJUYLTN-AHCXZYCDSA-N 434.470 0.425 30 10 ICEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1OC 531199242 XCPGAXSUWBTNEI-UHFFFAOYSA-N 441.509 0.593 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 590915184 UIGDMGKIRQURJT-OAHLLOKOSA-N 448.570 0.510 30 10 ICEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1C 608910913 XEQGEGDERILCTP-UHFFFAOYSA-N 442.541 0.296 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 732465068 DJPYLRLAKXLZDD-HNENSFHCSA-N 441.444 0.409 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706158 HHRNJVSSVUAPCM-QGZVFWFLSA-N 433.534 0.854 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741449158 LBQRJDMLWLMFLA-INIZCTEOSA-N 430.534 0.694 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)S/C2=N\CCc2ccccn2)C1 760321396 QEJPBVDNMIINAT-YXXZJHEXSA-N 432.550 0.864 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2Cc2ccon2)CC1 765145927 PRASVVIXGJTUKF-UHFFFAOYSA-N 439.497 0.206 30 10 ICEE CC#CCS(=O)(=O)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 810777470 CVYPJKYNVXKSDH-HNNXBMFYSA-N 430.504 0.185 30 10 ICEE N#Cc1cn(CC(=O)NCCc2ccc(I)s2)c(=O)nc1O 1136552488 UNMGKAVWYSKRHP-UHFFFAOYSA-N 430.227 0.846 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286384366 QHJHPCFVVOJZDX-HLIPFELVSA-N 440.566 0.982 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286824026 SOZQEFGZEPXBCW-QWHCGFSZSA-N 437.613 0.431 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1296605643 IEUARRFNFZSUGS-WOJBJXKFSA-N 429.456 0.914 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCSCC2)CC1 1300719734 OCAYSIWMEURTST-UHFFFAOYSA-N 442.593 0.693 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301594569 HBNMRNLNGWYUPX-GDBMZVCRSA-N 439.611 0.984 30 10 ICEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@](C)(C#N)C3)CC2)c1 1308113102 CISUDQUTCKMTSU-HXUWFJFHSA-N 434.518 0.337 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1314558530 DDQKLPQORFGNIJ-ARFHVFGLSA-N 440.570 0.865 30 10 ICEE COC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315905274 VONVEKXOMDMADA-HFUDNHEJSA-N 431.497 0.415 30 10 ICEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1316361392 BFDJVNHAISSNLM-SSWHHONOSA-N 427.552 0.210 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359056714 KDSPBIMKKIYYME-CVEARBPZSA-N 432.550 0.915 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC(OCC)C1 1359240903 ZRZOYFXRWYTYOJ-SWKXRBFHSA-N 429.543 0.163 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359333290 SXLYIISDGZKZLX-FCEWJHQRSA-N 426.539 0.767 30 10 ICEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1504010225 JMHKWTZRQREOKN-UONOGXRCSA-N 440.451 0.789 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)CC1 1507739637 SEVAOSIGTVEONX-UWJYYQICSA-N 449.577 0.715 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COc2ccccc2O1 1510216856 DIHNTRHSUVGULX-ZNMIVQPWSA-N 448.505 0.457 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CCO1 1521128635 FVUKFIKVBMNERO-HNNXBMFYSA-N 431.884 0.971 30 10 ICEE C#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)nc1 1540615668 HNDBPXNGPQSYGW-UHFFFAOYSA-N 441.513 0.441 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1565156649 NIFDEBOBPDNXBZ-AWEZNQCLSA-N 440.478 0.658 30 10 ICEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)C1CCOCC1 1585148822 KBRLCNWUVMBTDG-QZTJIDSGSA-N 436.530 0.773 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCOCC2)CC1 1588914078 VPIRXLFSMAEHBY-UHFFFAOYSA-N 439.564 0.972 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(CC)CC)CC1 1588923697 JKFJJNTYFVJPMQ-GOSISDBHSA-N 429.569 0.927 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@@H](C)C2)CC1 1588924359 ZXSPADOSKQDZPK-MJGOQNOKSA-N 441.580 0.927 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1611676806 DHCSDRPXTDILGA-CYBMUJFWSA-N 444.583 0.596 30 10 ICEE C#CCN1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1629536736 ASRZGSYFTMYCDT-MRXNPFEDSA-N 437.518 0.777 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)CC1 1632961209 ULSCYIMTXWHANX-UHFFFAOYSA-N 436.490 0.419 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(NS(C)(=O)=O)C1 1641632456 GRJBNBJOPYSFSL-CQSZACIVSA-N 428.536 0.044 30 10 ICEE C#CC(C)(C)N(C)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1654133574 OXYIHVQDCGZVGH-UHFFFAOYSA-N 427.505 0.902 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 1673989292 RKJVHYKXEMUSAA-UHFFFAOYSA-N 425.486 0.279 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1697017702 GJSFWDFFPYFJPW-BBRMVZONSA-N 431.522 0.781 30 10 ICEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1711294569 AAHKGKKUVKLMBR-UHFFFAOYSA-N 448.549 0.982 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1722536170 CCORNOSKTTYKEN-HNNXBMFYSA-N 441.554 0.244 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)CC1 1722583317 SCVHMDPELDVPOE-QGZVFWFLSA-N 443.570 0.412 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740615938 OFLPLHIVZXBVTM-JXXFODFXSA-N 437.566 0.594 30 10 ICEE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748360513 DYHVALKUJCSLFH-INIZCTEOSA-N 441.540 0.894 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751983199 NYMAOXUUBXCDLX-NHWLHPCLSA-N 443.508 0.365 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1760209972 KYZLFRFAEQISGP-OAHLLOKOSA-N 443.533 0.890 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCCC)CC1 1760255829 JANXWCVUYOVKOJ-UHFFFAOYSA-N 434.508 0.202 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760510100 GCSBMRXEAPZFAW-INIZCTEOSA-N 434.522 0.532 30 10 ICEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1761436908 DXPHRYFAQOKFQR-JTDSTZFVSA-N 440.545 0.590 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCCC12OCCO2 2282287648 CLIAXCOKFUTJAJ-GFCCVEGCSA-N 428.320 0.078 30 10 ICEE C[C@H](O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO 113741598 FQYBTYFKOHPWQT-HTAPYJJXSA-N 437.496 0.903 30 10 ICEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c1 547916510 KGSNKADMWLZHHU-NSHDSACASA-N 437.293 0.583 30 10 ICEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1C#N 579721110 XZRCCZCNMBLIMI-GFCCVEGCSA-N 429.296 0.336 30 10 ICEE Cn1cc(/C=C/C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(=O)n(C)c1=O 748783425 PBNJIEVIVWNALM-BQYQJAHWSA-N 430.468 0.866 30 10 ICEE COCc1nc([C@@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 779701621 ZHKASLRVHVQHNT-AWEZNQCLSA-N 449.489 0.635 30 10 ICEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782955411 IJHSIUVUHXPOPS-HNNXBMFYSA-N 446.537 0.418 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)C1=O 856635713 CMSSLJLFELZAAD-QGZVFWFLSA-N 429.477 0.490 30 10 ICEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920994234 VKHDBLAOVXYVQR-CQSZACIVSA-N 428.561 0.390 30 10 ICEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1144922083 GEZWJQOBWFFIJQ-IJEWVQPXSA-N 437.518 0.522 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(CNC(=O)C(F)(F)F)C1 1152851211 JEHMDIOWNBBGKG-UHFFFAOYSA-N 432.424 0.642 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 1152967822 QVNYOTJZQIVTAT-UHFFFAOYSA-N 433.317 0.335 30 10 ICEE Cc1ccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)cc1S(=O)(=O)NCC#N 1157212711 ROUUYMOYSVFKMH-KRWDZBQOSA-N 433.534 0.222 30 10 ICEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113201 VGTSSJSVOZIGGV-CVDCTZTESA-N 441.532 0.969 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286380277 GNUOUPRUMOPLQL-ZWKOTPCHSA-N 448.593 0.483 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)CC1 1286485228 XZBQXKODHHGRFV-FQEVSTJZSA-N 430.534 0.176 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1286959292 FGWUFZVEDYXPBK-MCIONIFRSA-N 432.572 0.309 30 10 ICEE C#CCN(c1nnc(COCC)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300504040 IVGKSRLMOMQXAD-SFHVURJKSA-N 445.545 0.783 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)CC1 1300710469 CASPNRZVKFTCLP-UHFFFAOYSA-N 441.580 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 1309802319 SFECDFOCJAAYNN-UHFFFAOYSA-N 433.380 0.156 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N(C[C@@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)C1 1313292442 RRPUCVXWBRJFIO-WOJBJXKFSA-N 430.549 0.972 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1315743368 HRVIBBBCJMPIDA-NRFANRHFSA-N 442.545 0.980 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1359024391 MAKCYKBWRQWMKN-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359048142 GRADCYORJUOIGZ-AWEZNQCLSA-N 445.553 0.315 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)CC1 1471451465 TUDGEKTXTJTIDT-ZDUSSCGKSA-N 434.440 0.945 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1502439127 ZEERFKHSZBGHPI-FBMGVBCBSA-N 430.513 0.779 30 10 ICEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507846032 AXJVKLPMLUJUSG-KRWDZBQOSA-N 425.493 0.004 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1508093087 UARUFWUIIUGXHE-HNNXBMFYSA-N 438.510 0.143 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1508409050 AHKBTPAXISAMSQ-LSDHHAIUSA-N 427.575 0.595 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1539430959 PUSBDQKRODDGAN-HSZRJFAPSA-N 446.596 0.796 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539482094 RCOIVMAIDHYTFA-VGOFRKELSA-N 428.537 0.616 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540035691 HDRAKYYZPFIFTC-DLBZAZTESA-N 425.555 0.878 30 10 ICEE CNS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1554511584 GAESRRASWPERFU-IAGOWNOFSA-N 430.506 0.310 30 10 ICEE N#CC1(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1558775708 CJIRJFVGHXONDJ-ZBFHGGJFSA-N 427.910 0.900 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588046092 XACPLIQCGKLRQV-DOTOQJQBSA-N 444.561 0.825 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1595476842 NWNZWGMFOPLEJR-GFCCVEGCSA-N 427.556 0.592 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1595544471 IRMXFDZKUSLZFQ-KRWDZBQOSA-N 444.540 0.878 30 10 ICEE COC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC(CO)C1 1607420838 ODVOQGNBTZFFCA-UHFFFAOYSA-N 435.502 0.389 30 10 ICEE O=C(N[C@H](CO)C(=O)N[C@H]1CCN(O)C1=O)OCC1c2ccccc2-c2ccccc21 1624906506 LMGCAYWFOGLBRW-RBUKOAKNSA-N 425.441 0.992 30 10 ICEE COCCOCCN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1628147548 GGFBAOARACABOE-MRXNPFEDSA-N 438.550 0.311 30 10 ICEE CS(=O)(=O)CC1(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1645343438 FQYSTQQTTFZLIV-UHFFFAOYSA-N 427.548 0.836 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c3c(nc4ccccc24)CCN(CC)C3)CC1 1650846452 XUXOSUWIRFWBIA-UHFFFAOYSA-N 441.557 0.838 30 10 ICEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1665908534 FKACMWZOWBTYFM-INIZCTEOSA-N 436.534 0.813 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 1674627259 NCLJVUFXJAXPIZ-UHFFFAOYSA-N 432.506 0.004 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 1684319015 WWRPHXOOOLBCCE-CABCVRRESA-N 429.543 0.179 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689995874 BLBCVUXLSRTACZ-KRWDZBQOSA-N 445.549 0.292 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1692778929 AEIUTRBALVTFNN-KSSFIOAISA-N 443.549 0.441 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1693546912 GOKYFSVGKPOPAL-JLTOFOAXSA-N 444.517 0.033 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCCCO)CCN1C1CC1 1712885856 APWFJBZPPNZHOW-KRWDZBQOSA-N 433.582 0.693 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722351908 LWLAUTWZWSNKQW-FUHWJXTLSA-N 444.561 0.918 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1722398125 XZEGPKPMFUXYHQ-VQTJNVASSA-N 447.605 0.880 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)N(CC)CC)CC1 1722441444 QUHHJTMJEGTGOW-UHFFFAOYSA-N 429.569 0.804 30 10 ICEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNS(C)(=O)=O)CC1 1722563017 RXSCCWONCRJISQ-UHFFFAOYSA-N 429.510 0.626 30 10 ICEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740585723 AEXXPSBDPRSWGF-UHFFFAOYSA-N 437.504 0.261 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740617007 KEUQPSZEXSLHCT-MDZRGWNJSA-N 444.529 0.541 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1740622131 UXGVLJFZJIBKFO-INIZCTEOSA-N 447.521 0.148 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748815508 QYVNMZSFRUKEBJ-CHWSQXEVSA-N 449.562 0.318 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749010195 OZETXAZLHJLNON-DYTRJAOYSA-N 437.504 0.648 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749650198 NBVMVZXSWCDUOM-ZIAGYGMSSA-N 449.537 0.485 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1760249702 QSYFBRXRTJKCTH-KRWDZBQOSA-N 433.534 0.322 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760341502 GCZCVAVOVBZKCC-XIKOKIGWSA-N 439.542 0.279 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255838129 AZYYDHIIASWUKI-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE C#CCN(C1CCNCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286025219 DNIBJKFYOVCVAI-GOSISDBHSA-N 437.518 0.471 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@H]2CCO[C@]2(C#N)C1)NC(=O)OCc1ccccc1 2286039710 JHCBYFIYBUYKFO-JTDSTZFVSA-N 437.474 0.399 30 10 ICEE O=C(O)C[C@@H]1OCC=C2CN3CC[C@]45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6N[C@H]4[C@H]1[C@@H]2C[C@@H]35 68590284 IVEMPCACOMNRGI-BVRCTNHESA-N 427.413 0.035 30 10 ICEE CCc1nc(C(C)(C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 441249992 XZSSKBUVVCQSSG-UHFFFAOYSA-N 446.533 0.861 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 609052443 HIFYHFCRNNKINF-UHFFFAOYSA-N 427.486 0.754 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 751021418 RRIGHMJPWNTICM-SNVBAGLBSA-N 435.501 0.132 30 10 ICEE CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 802632619 LPTSDHFSVSLQPE-JZRFMTABSA-N 435.506 0.175 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 1152967931 VSQQONDWWRAEJZ-UHFFFAOYSA-N 431.493 0.726 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1 1154355464 MQCBTFXROQCVTE-QYZOEREBSA-N 447.557 0.870 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC(=O)N(C)C)CC1 1286472841 LWINEUXGNAWCQY-QFIPXVFZSA-N 432.569 0.942 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286592751 UGEHLBDIDFGKJM-HOTGVXAUSA-N 443.595 0.761 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1288511419 XUVGRLLVCNBIBH-ZFDMEJTGSA-N 426.481 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)CC1 1300699472 DDGXSFVKWDNHDW-IBGZPJMESA-N 445.545 0.981 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)CC1 1300723519 VLYADQMKHSHBQL-GOSISDBHSA-N 449.515 0.342 30 10 ICEE C[C@H](C(=O)N1CCC(n2nncc2I)CC1)n1cnc(C#N)n1 1300835633 OZFKBWCJUVDQAC-SECBINFHSA-N 426.222 0.771 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301508394 JRGSULYSQZYGDC-KRWDZBQOSA-N 439.520 0.588 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(=O)N(CCOC)C1 1358887539 YWCXZOBWTVAWMU-LSDHHAIUSA-N 428.493 0.959 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960902 NYNLKLKGNNFDSL-INIZCTEOSA-N 432.550 0.683 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCNC(=O)C1 1359334633 MNILSIMQHGLATA-UHFFFAOYSA-N 428.518 0.818 30 10 ICEE NC(=O)C1CCN(c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1455868952 VXJOYZICYWRRFA-XDOYNYLZSA-N 425.489 0.921 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)cc1 1468843355 ASXGDABXKMWENB-UHFFFAOYSA-N 435.527 0.826 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)s1 1472349921 LUUPDWPRNBOXTA-STQMWFEESA-N 430.504 0.176 30 10 ICEE C=CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478934085 GMFJOSSQGNNJSN-MRXNPFEDSA-N 426.539 0.383 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1503559938 PZSMFNDEDFSXSP-CVTQAYBASA-N 443.508 0.400 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1507631245 NAOBKXHRUATZOP-INIZCTEOSA-N 428.518 0.577 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1539210986 IJSLMJWGUYLMPS-GCJKJVERSA-N 443.573 0.947 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(N)=O)nc2)CC1 1539475286 AOPYWXBRRBCHII-UHFFFAOYSA-N 432.488 0.781 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1541927291 HQRJYZHTFIITSL-SCLBCKFNSA-N 436.517 0.840 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1556504084 JTRXHDUMFMWWGJ-ZWKOTPCHSA-N 449.596 0.106 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587783747 WLUJLJPXPSCEKA-UHFFFAOYSA-N 441.580 0.948 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1595805089 KXDUKVFJRRCKKU-UHFFFAOYSA-N 433.600 0.549 30 10 ICEE C[C@@]12CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@]1(C)C(=O)NC2=O 1620487005 NSOCIXBOBFUFSM-YHYVQYDKSA-N 427.480 0.519 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 1632966118 IMDAQQMNRIQOQP-UHFFFAOYSA-N 431.268 0.583 30 10 ICEE C#CC1(O)CN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1646381781 FITGQKABZDQGFB-UHFFFAOYSA-N 447.282 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690671425 VWHWRDRMXABXDR-GOSISDBHSA-N 446.552 0.897 30 10 ICEE COCCN1C[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1698078674 ICFXCOCJLQQSCB-ZWKOTPCHSA-N 425.493 0.488 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1705662324 WCMFOBPKCBVQKB-HZPDHXFCSA-N 443.595 0.450 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705909271 RUBPWTZTBXNVCO-NSHGMRRFSA-N 448.568 0.605 30 10 ICEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722320478 ZKBVVSAXYYBGIR-LJQANCHMSA-N 430.553 0.566 30 10 ICEE C=CCNC(=O)Cn1c(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1722704565 VDLPGEDMLCJQSH-OAHLLOKOSA-N 427.571 0.908 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740681463 MRAUUHYRKSGVLK-FQEVSTJZSA-N 434.518 0.589 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccs2)CC1 1740706473 UQBNXLUXVPPFFO-HNNXBMFYSA-N 427.534 0.894 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740801453 ALPSDTUNCHJFPL-KGLIPLIRSA-N 446.961 0.468 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1748929801 PSQMKQPTMDYATR-ZACQAIPSSA-N 425.555 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)CC1 1749015601 YLKFVZRLAQDKRE-QGZVFWFLSA-N 449.577 0.451 30 10 ICEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1752416064 BTCOGHZWHVSQSG-YOEHRIQHSA-N 439.476 0.942 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1(=O)=O 1760464622 LMONLYJMUQUDDE-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760567417 ZTZXNIOPSNPASG-MRXNPFEDSA-N 427.534 0.330 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OCCC)c1 1865721802 BRJLUBNOPYWPHF-HNNXBMFYSA-N 426.473 0.870 30 10 ICEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2255643211 QSEPYVQHZXBCDF-UHFFFAOYSA-N 434.302 0.799 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)n1 2267497810 PJPMDTQTMQKTAK-GOSISDBHSA-N 439.369 0.923 30 10 ICEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(NN=C2C(=O)NC(=S)NC2=O)cc1 12493310 CIJFJJQCLIWRQE-UHFFFAOYSA-N 431.499 0.806 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@H]3CCCN3C(=O)[C@@H](O)CO)C3CC3)nc2)OC1(C)C 215694604 RMPDYOFHJICZJZ-SJORKVTESA-N 432.330 0.089 30 10 ICEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 463641369 AQZHMWBEWXJTAQ-RKYPPNDESA-N 440.481 0.561 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 669816744 YZYHXOIZJMIXHH-XHSDSOJGSA-N 427.527 0.181 30 10 ICEE O=C(CN(C[C@H]1CCCO1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 765198412 ACTPVLIYTWOJFF-MRXNPFEDSA-N 448.545 0.745 30 10 ICEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2(C#N)CCC2)C1=O 784236107 CIHNVWUXDHIBMC-HXUWFJFHSA-N 428.445 0.876 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)ccc1F 804328146 YIBWEYYRRFMGLE-UHFFFAOYSA-N 433.527 0.691 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)c2ccc(Br)c(F)c2)C1=O 1169647925 KRVWQGZUDOHCEZ-UHFFFAOYSA-N 426.198 0.864 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1286312684 YHCKTUANFTVOHN-UHFFFAOYSA-N 436.524 0.984 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1286351465 DHEAHSBZFZETCP-OAHLLOKOSA-N 446.524 0.412 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)CC1 1286470594 AELBHHPEPLNPNP-SJORKVTESA-N 436.582 0.460 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286785638 HRZKGDVCFSMYLO-NVXWUHKLSA-N 431.541 0.221 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286788814 GWJVKSSHOUNWNN-QGZVFWFLSA-N 432.550 0.970 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286823889 RDDUUGBMLJMVFR-SUMWQHHRSA-N 428.584 0.666 30 10 ICEE CC(C)Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302909481 RVNUCJDMRCMEQR-YWMAMYRUSA-N 436.538 0.626 30 10 ICEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1303043065 SOCBJPLHBFQHNM-AWEZNQCLSA-N 428.507 0.782 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(CN2CCCCC2)CC1 1305201658 HREKIXBIWNCXIO-UHFFFAOYSA-N 434.562 0.955 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1359031373 ZOUMHPRQUBIIFX-OFNKIYASSA-N 446.596 0.532 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1359291217 IKASYAAQVQWVIO-UHFFFAOYSA-N 444.565 0.595 30 10 ICEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359342215 RTIQQQVQPUCPPQ-UHFFFAOYSA-N 434.566 0.582 30 10 ICEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370412 HNZPUXLZYKUEQO-BXUZGUMPSA-N 433.465 0.964 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1507634109 WTTGMTUMJBQZBC-RBUKOAKNSA-N 430.530 0.949 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1510132289 LIZYGFGATCPHAJ-WMQDPJMESA-N 436.538 0.941 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1511715582 FAILMAPOFNKAEU-DLBZAZTESA-N 433.538 0.693 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1539179632 QPQFBXDFZVASPH-MOPGFXCFSA-N 446.577 0.983 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540874445 HBAYGNGLXLYJFG-HXUWFJFHSA-N 445.549 0.534 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1540897644 OIWUXZYOHDBHDD-UONOGXRCSA-N 435.572 0.104 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554409532 YLNPIQFGJYGNDR-WSJMMGAHSA-N 443.508 0.618 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)s1 1556316436 AMYJZXODAZKXFP-JSGCOSHPSA-N 435.593 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595761190 YRFQOZZDDVSKRL-INIZCTEOSA-N 449.581 0.820 30 10 ICEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1620162179 JTVZECSUIATODY-IAGOWNOFSA-N 428.518 0.966 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1631426274 BZYQLXQOEYWSJY-LJQANCHMSA-N 428.514 0.624 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1632228195 LROWOTRFYAQTBX-UHFFFAOYSA-N 426.491 0.786 30 10 ICEE C[C@H](CC(=O)NCC[S@@](=O)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1632730705 ASMIWYRJLIFVBZ-AFNXNYLOSA-N 425.454 0.931 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@H]1CS(=O)(=O)C2 1639174927 FGBREKZQULZUNQ-BONVTDFDSA-N 437.279 0.435 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)CC1 1643372604 SWDPDVXUEOASMQ-UHFFFAOYSA-N 449.483 0.865 30 10 ICEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1648264273 IFBXYDDZMJCTEP-UHFFFAOYSA-N 426.491 0.447 30 10 ICEE COCCN(C)S(=O)(=O)[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1653483856 NRQVRAQVCODFQR-KRWDZBQOSA-N 433.530 0.658 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689994301 VWOAHNACNKWALG-KRWDZBQOSA-N 449.577 0.844 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1690113983 ZKZGVNMVESVXTI-QFIPXVFZSA-N 432.569 0.848 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCN(CC)CC2)CC1 1690125041 ZFWSVOPBNRGZMK-OAQYLSRUSA-N 429.613 0.955 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(OC)CCOC2)CC1 1690132141 IUXDXKYNEJKOFB-OAQYLSRUSA-N 444.561 0.830 30 10 ICEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1690496242 NNFLALHJYUOZKD-QFIPXVFZSA-N 446.552 0.824 30 10 ICEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1692468339 MHBNJLXWTKBDGX-GOSISDBHSA-N 436.520 0.304 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1705583072 PMTCXARMTUSIFP-MSOLQXFVSA-N 436.582 0.414 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC 1705716296 GKTDYYVNKVGJOZ-KUNJGFBQSA-N 433.600 0.782 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1705927614 BIMFUDRDNIJQRF-UHFFFAOYSA-N 448.553 0.134 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1706854252 FYIHFRGWXYZNOI-YWZLYKJASA-N 447.565 0.463 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1706889212 ODMLSLYZXHUXRS-GFCCVEGCSA-N 443.480 0.788 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884794 SEFGQGQTKPLNPY-XHSDSOJGSA-N 426.468 0.867 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1722449977 WYYKXORRIUBDIR-UHFFFAOYSA-N 430.465 0.934 30 10 ICEE C=CCCOCCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722621892 GIDXFCLXLZVEDV-UHFFFAOYSA-N 432.529 0.461 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1722693304 JOUCTPAPXJHPCB-UHFFFAOYSA-N 428.493 0.966 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722697660 OFYHWCRNULQBAU-HXUWFJFHSA-N 429.481 0.270 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1723694771 WMPOBXXRQQPJCI-UTKZUKDTSA-N 444.492 0.957 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1723951725 CTFOOSZXLQIDMX-ZBFHGGJFSA-N 439.586 0.880 30 10 ICEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1728113979 FZFKSDBZSAZVBX-UHFFFAOYSA-N 437.504 0.734 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1729526321 TWXKEPSDPZCVIH-FOCLMDBBSA-N 438.554 0.973 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1741731962 LRTADVPFTBAQBQ-LAUBAEHRSA-N 431.541 0.583 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1745876287 AJRRXFMASRQHBN-OAHLLOKOSA-N 432.506 0.556 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1746732829 BVHGFCRCQYQLFS-DYESRHJHSA-N 428.493 0.714 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748814614 HMJOSDSYPBAKRQ-KGLIPLIRSA-N 435.506 0.667 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1749668911 GKJWYVZAOHOWOC-HOTGVXAUSA-N 438.554 0.150 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1760171140 WJXSMYKYTFJUFT-UHFFFAOYSA-N 449.515 0.993 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1761580654 CSYFGHVCQZPBLW-LSDHHAIUSA-N 427.465 0.680 30 10 ICEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1=O 1771126427 DMWJKLWINQOJKS-FUHWJXTLSA-N 437.504 0.623 30 10 ICEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546494 XNGQGPPEEFIYJI-WDEREUQCSA-N 445.251 0.786 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2320985179 PZPVFALGGRTHOJ-UHFFFAOYSA-N 437.302 0.567 30 10 ICEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 432571073 XWXVXMZEYRNEDS-UHFFFAOYSA-N 427.505 0.670 30 10 ICEE CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@@H]3CCCO3)c2=O)c2ccccc21 545314126 ASRWXRGWCPVBNA-AWEZNQCLSA-N 437.525 0.707 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCCOC)C1 549270984 YEJHHKPFXVTQPV-DLBZAZTESA-N 443.570 0.676 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561726871 LKGXLSLXMMUGQN-ZWKOTPCHSA-N 433.534 0.772 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649515 RJKQDEFGYLZJIV-UHFFFAOYSA-N 440.525 0.478 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 816691735 YLGIEVTXIUOWCY-HNNXBMFYSA-N 433.442 0.979 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c1 1136282105 YOMWYSHTNUFZBU-CDSOJIMDSA-N 444.517 0.868 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CCO1 1211862499 GRPLYSHWLNILAG-QWHCGFSZSA-N 436.303 0.798 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286380256 GNUOUPRUMOPLQL-MSOLQXFVSA-N 448.593 0.483 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286820077 DLAYLBVUHKSEMM-RBSFLKMASA-N 434.584 0.641 30 10 ICEE COc1ccc(N2CCN(CCNC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1292283696 YYZNABWELHLNBI-UHFFFAOYSA-N 426.477 0.158 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1300724623 AFKULTKMCCWHQX-IBGZPJMESA-N 438.532 0.803 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1301587335 NQRHOEKEFDGGHX-INIZCTEOSA-N 448.524 0.823 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 1312214494 QALRBNIXUSEIQI-HNNXBMFYSA-N 432.506 0.516 30 10 ICEE COC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315125250 NDDNNJARYAAYNU-FBMGVBCBSA-N 429.481 0.960 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1358956037 YVWJZTCUBLMMHE-HNNXBMFYSA-N 448.553 0.000 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@@H]1C 1359113987 VGKROIVVZIHHSO-JTDSTZFVSA-N 443.570 0.553 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C 1359296516 LUQAVKNCMWJIPU-UHFFFAOYSA-N 428.493 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1359300550 FHHUZYICGLNLGK-RHSMWYFYSA-N 426.477 0.760 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1 1359332895 JULSNZUFNVHARU-KRWDZBQOSA-N 425.555 0.735 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)CC1 1471450485 AZMVWZYMRNCWRF-UHFFFAOYSA-N 446.529 0.865 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CSC1 1473631337 QGHOOYSIRCTYOW-UHFFFAOYSA-N 438.531 0.478 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(=O)N2)c1 1507551395 XKJRXVYUFSYGMG-SJORKVTESA-N 435.488 0.564 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507962028 LDQGIAKLSBXKKS-OAHLLOKOSA-N 426.543 0.340 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539751515 ORAHLXNSSYAJER-GJZGRUSLSA-N 434.584 0.642 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1540073707 SKHZWRWQEHKLTC-CQSZACIVSA-N 428.559 0.396 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540861715 DGFVSVMKLOMAON-UHFFFAOYSA-N 431.541 0.511 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540861860 JJOGGDBGPLNQII-CQSZACIVSA-N 426.543 0.122 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)ccc1F 1557811223 BTSNEDLQDSQKEO-ZDUSSCGKSA-N 433.527 0.691 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN(C)C)CC2)o1 1557899294 JWSBMSOUOCUNLF-UHFFFAOYSA-N 425.507 0.538 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1562066362 CYRZOOWOMGZGHF-GOEBONIOSA-N 443.547 0.702 30 10 ICEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)C(=O)OCC 1587285803 LIJZRKHZRXOYGC-NSHDSACASA-N 425.854 0.902 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1594857492 KBROBBAYBCRKFP-ZDUSSCGKSA-N 444.558 0.804 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1598075076 MSGCOTQECDXCHV-RDTXWAMCSA-N 426.518 0.784 30 10 ICEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2ccsc2C#N)CC1 1629301106 DFZXJQWNPJRQEF-UHFFFAOYSA-N 427.552 0.102 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)C1CC1 1629970052 AACWTYAAHDFSSP-OAHLLOKOSA-N 427.548 0.833 30 10 ICEE CS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Cl 1634242580 CDVJFUGHQDPBSF-BLLLJJGKSA-N 431.923 0.823 30 10 ICEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648215874 ZXQDEBIYKLFJGJ-LJQANCHMSA-N 429.454 0.972 30 10 ICEE CN1CCC(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)(N2CCOCC2)CC1 1683328594 GVVROKQPIOATGB-IBGZPJMESA-N 428.537 0.913 30 10 ICEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1692468385 MHBNJLXWTKBDGX-SFHVURJKSA-N 436.520 0.304 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCOC(F)F)C1 1698312144 BHSXLLCMNXFVFX-CQSZACIVSA-N 448.496 0.980 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCCO1 1705552246 WOZXRGSYXFDYEO-SJORKVTESA-N 441.554 0.266 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nncn2CC)CC1 1722449632 WRRZBKVAUJBUMF-UHFFFAOYSA-N 433.520 0.889 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 1722640841 SEKDIAWJQYIQON-IRXDYDNUSA-N 440.570 0.492 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1729613550 CKFJIDLFWMJRJQ-KGLIPLIRSA-N 441.558 0.122 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966408 YCMOORXQPYIGGV-PGRDOPGGSA-N 443.552 0.797 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1741943584 HEDQMIXBFAQXHN-GMHRPJKWSA-N 438.554 0.558 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1747664910 GRKQORRBLFJMST-UHFFFAOYSA-N 432.506 0.156 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748803387 YDFKRPCKJPVXDA-OXQOHEQNSA-N 437.566 0.858 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749677314 VORGWPBZNFYCAR-UHFFFAOYSA-N 443.577 0.633 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1760137785 MSCRAJNUEASWCP-QGZVFWFLSA-N 436.582 0.242 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1760191006 ZCBCUCIELHUZSE-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760269317 FFANAHXMFXUMRS-SJLPKXTDSA-N 449.577 0.920 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760510285 PKMFSKODSVVBKV-MRXNPFEDSA-N 440.570 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760555243 AOYDDMJBJKVPQA-QZTJIDSGSA-N 439.582 0.541 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1771112564 SEDIMEREZJBNRQ-RRFJBIMHSA-N 430.506 0.508 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCCN2CCOCC2)cc1 1771535102 XWOUNWBWXVWTDH-UHFFFAOYSA-N 439.520 0.777 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)c(=O)n(CC)c(=O)n2CC 1849027272 QGFJYUZQMQGHKC-KRWDZBQOSA-N 434.518 0.610 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873561820 ACDDCWBTEOVIRD-UHFFFAOYSA-N 441.580 0.898 30 10 ICEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCN3CCOCC3)ncnc21 1875230341 UUMGFFZPEONVRU-UHFFFAOYSA-N 432.525 0.178 30 10 ICEE Cc1nc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ncc1C#CCN 2189866671 ZTAXGLIEKXIMIY-UHFFFAOYSA-N 427.486 0.913 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC(C2OCCO2)CC1 2282344307 VLNJPRYXHBFFEZ-UHFFFAOYSA-N 427.332 0.493 30 10 ICEE C#CCN(C1CCOCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286018027 LCIYKIWBDOKRJJ-SFHVURJKSA-N 438.502 0.898 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccccc3)cc2)O[C@H](CO)[C@H](O)[C@H]1O 2296747987 HKKSSKGBBKKMNU-OOYIDZMOSA-N 427.453 0.905 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)n1 545489093 HNEFCVNEZRIDCB-LJQANCHMSA-N 426.521 0.315 30 10 ICEE O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 732155456 BLYQOTNVDOJAIU-VXPUYCOJSA-N 432.502 0.703 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c(F)cccc2I)CC1 760525040 SPRXRRWLFHITLW-UHFFFAOYSA-N 429.233 0.938 30 10 ICEE CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 767751125 MBSCQYXRCFFOSO-DLBZAZTESA-N 431.555 0.832 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1 814760347 KLDHBMMGOSZVQT-UHFFFAOYSA-N 441.539 0.553 30 10 ICEE COc1ccc(NC(=O)COC(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 815414848 SXHSOOYOCWAUHD-UHFFFAOYSA-N 437.474 0.892 30 10 ICEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1134429367 ZQUVLGGLLQSIDH-ZUZCIYMTSA-N 447.332 0.863 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)s1 1136592914 LSUHPRRPUCIESB-MRXNPFEDSA-N 441.575 0.995 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1286297405 WJQIEKTUOJHYFD-GJZGRUSLSA-N 438.554 0.115 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286398157 GZXNZIRVHSYBPN-ULQDDVLXSA-N 438.550 0.544 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)CC(F)(F)F)s1 1300441894 MANSQRBARLXHKC-UHFFFAOYSA-N 434.483 0.848 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1300498101 GTYKYQTUUCWISM-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955318 JUHYHKTXLWTOHM-NVXWUHKLSA-N 438.598 0.773 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1359304030 JDHWVVQVZOAUDR-KRWDZBQOSA-N 439.520 0.990 30 10 ICEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1452770275 SUKCVYJMSUNNIF-MRXNPFEDSA-N 432.424 0.642 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CC1 1466405977 PITNVYBWBCDNHH-UHFFFAOYSA-N 432.861 0.883 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1467451360 HHAZMCTZSUNKJM-INIZCTEOSA-N 441.550 0.399 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1507689993 OHXJWIMREFGFHE-QGZVFWFLSA-N 446.533 0.218 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCO1 1508371975 PQNXGECSEVRYCF-QGZVFWFLSA-N 427.465 0.368 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539215990 MOCMFHVZKSLAGC-MRXNPFEDSA-N 428.522 0.396 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nnn(C)n2)CC1 1539489725 WOJCELVPDVGEGS-UHFFFAOYSA-N 449.519 0.703 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(CCC)C(=O)C1 1540901411 CLMUUNOFNSTDKI-UHFFFAOYSA-N 433.538 0.785 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCN(CC)CC1 1587562998 WCEJIFYRNHVTNT-IAGOWNOFSA-N 425.603 0.374 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1595497024 NXEYBADXIWBDPQ-UHFFFAOYSA-N 442.520 0.987 30 10 ICEE CCOCc1nnc(N2CCCN(C(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1616884170 LVOALBJORIMNNM-VHEBQXMUSA-N 431.497 0.400 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1620025072 MVGXGECJPOYMJB-OAGGEKHMSA-N 442.542 0.155 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1642511979 QKWNPJZBMUCMPX-CABCVRRESA-N 427.454 0.833 30 10 ICEE COC(=O)CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1654553386 OLNXNGXMSGFZQL-UHFFFAOYSA-N 444.460 0.186 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C)c(C)s2)CC1 1690111409 BBTCBRZXBWWVAB-CQSZACIVSA-N 437.595 0.765 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690670826 JWQXPMAJODAAQW-MRXNPFEDSA-N 442.524 0.947 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1696890821 GNGDKYFKQXPDLG-SFHVURJKSA-N 439.520 0.930 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccs2)CCO1 1698490546 DGILAORXFCHMSQ-CQSZACIVSA-N 429.506 0.734 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1705534370 GULASPFAPGEAHX-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564146 LZPQMHRXDDHZNA-MSOLQXFVSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705568217 JIWRAGIINNONSE-XLIONFOSSA-N 434.566 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1705936152 KTDCIIHNHUTZCC-YJBOKZPZSA-N 446.595 0.786 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1710328271 AQZFEKREJWTXIO-UHFFFAOYSA-N 434.508 0.367 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722366759 JPXHRNNMCTVTMG-SJORKVTESA-N 437.566 0.919 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722368516 RPDPYFBSHISPJJ-CVEARBPZSA-N 428.518 0.608 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722371438 WLSYGZAJQAAQDF-HZPDHXFCSA-N 447.517 0.779 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)CC1 1740706016 OXJANIKLDCYRFW-INIZCTEOSA-N 443.552 0.500 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1748790706 KYLIMHLXVFSCNN-CYBMUJFWSA-N 438.476 0.175 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748964927 NKUDGBYQGNDBRW-FQEVSTJZSA-N 436.509 0.644 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749194273 ZTOGSAZXRYXDKK-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1751046593 BCMACFWTVMFJAC-YJBOKZPZSA-N 444.533 0.868 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1770748247 NEENYBMKDPOHHC-IAGOWNOFSA-N 446.533 0.879 30 10 ICEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 1851368901 VARBCVXXSNPETN-NRFANRHFSA-N 442.541 0.896 30 10 ICEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN3CCOCC3)n2)c1 1890093055 HCSVUKURWGMIDV-UHFFFAOYSA-N 426.473 0.379 30 10 ICEE C#CCN(C1CSC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258159858 ZVTOZHKXOAJOFW-MRXNPFEDSA-N 426.516 0.835 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144049 QUBFGOZBNQDDTB-ZDUSSCGKSA-N 448.329 0.905 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267605184 SRMPLQUAIXEWJO-KBPBESRZSA-N 448.329 0.876 30 10 ICEE CC(=O)O[C@H]1[C@H]([C@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@H]12 16321771 ASSGEEKBKJCWQS-YXISZKLHSA-N 444.458 0.996 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 460800446 CGVSUKDFDYHGAM-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE COCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477110908 SBUKISIOIHFPKX-SFHVURJKSA-N 435.550 0.685 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 524516746 ILKGAHKCXHUSHK-IBGZPJMESA-N 429.521 0.934 30 10 ICEE COC(=O)CCCc1nc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 609536137 QMNRRWSUGRYUGO-UHFFFAOYSA-N 433.490 0.943 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCCO1 732561851 UXDUBRDQAHIANM-MRXNPFEDSA-N 429.546 0.725 30 10 ICEE C[C@H](CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742506228 MMQJFFHWXTWTHM-CVEARBPZSA-N 448.545 0.601 30 10 ICEE C[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cnc(C#N)n1 798745717 LFPMOSXFFWELEW-CQSZACIVSA-N 435.462 0.354 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCN(C)CC3)CC2)s1 1152060594 JKTSJRMDFUNRRL-UHFFFAOYSA-N 426.608 0.993 30 10 ICEE CC1(C)C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 1157715769 HIUIWZHPMQADCQ-ZDUSSCGKSA-N 427.548 0.977 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)nc1 1178460257 GDYSFAHJGOVSNC-GVDBMIGSSA-N 431.518 0.392 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286395655 SKZYENHWGSNRDT-GOSISDBHSA-N 449.577 0.811 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286781217 PLAGEAZCPAVVCF-UHFFFAOYSA-N 433.557 0.802 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286788615 ZUXKYXAJIHHWJJ-QZTJIDSGSA-N 445.568 0.565 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1300884674 LMPPXIFFJFCWME-SYNHAJSKSA-N 446.552 0.942 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301567364 HTBDTEPZFIUZOV-CHWSQXEVSA-N 427.483 0.131 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1358949208 VRXRNUOIAWDEHZ-SFHVURJKSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1358955094 DMTYVMYZUCKXPM-HNNXBMFYSA-N 432.506 0.589 30 10 ICEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358966291 LTPUCDVLKJIQTB-QGZVFWFLSA-N 445.545 0.615 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359113208 CGEKDIYGTKUEJM-CVEARBPZSA-N 445.611 0.864 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1359215592 FWKRTBSYJDAWNN-CABCVRRESA-N 426.543 0.244 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1359291677 AASJXXMMAJZPSO-ZIAGYGMSSA-N 430.600 0.912 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359335033 YFUOJPVVMGZYRM-HOTGVXAUSA-N 425.555 0.863 30 10 ICEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1360728132 HOTYOZUSUQXROB-LBTNJELSSA-N 437.547 0.878 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1505136502 BEQIIIGNFHFFRI-KBXCAEBGSA-N 439.517 0.124 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1519162425 GDRZUJURYHKLLS-LJQANCHMSA-N 434.522 0.565 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c1 1523490394 AAWOCEULFXUNDV-UHFFFAOYSA-N 434.499 0.877 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1540869174 DSZRZZRFKJGPOP-UHFFFAOYSA-N 438.510 0.179 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)C1 1540892321 JPCNINMYSQKFAG-HOTGVXAUSA-N 446.533 0.504 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588089399 KSUFPGCDCBAXQY-YLJYHZDGSA-N 435.550 0.285 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589070720 WYLCRXRRDQQWOL-IRXDYDNUSA-N 439.607 0.851 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)CC1 1595538041 XSZKPWLDDCQBEA-UHFFFAOYSA-N 427.490 0.465 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1595601918 AITPKTVLXJQFAD-QFIPXVFZSA-N 448.568 0.533 30 10 ICEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1617666613 DLKDNYCFLOENEJ-HZPDHXFCSA-N 431.522 0.418 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1617710325 ZVUICQFRDYFDFR-CYBMUJFWSA-N 425.902 0.614 30 10 ICEE C#CC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C(=O)OC 1626187809 JDYLNDAMVFMJTB-CABCVRRESA-N 428.894 0.554 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2N(C(=O)OCc3ccccc3)CC2(C)C)CC1 1635993375 LYBKFGNJNCRBNE-FQEVSTJZSA-N 426.517 0.927 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C1CC1 1638703940 KRJWFEHQTHJODJ-UHFFFAOYSA-N 425.532 0.359 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1689852537 GZTRNCZZRALTQV-DOTOQJQBSA-N 448.549 0.911 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1690309865 MHYQIHVEJBUYIS-MRXNPFEDSA-N 446.508 0.940 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1705568803 VMFJDXVGSVVEGZ-DLBZAZTESA-N 437.566 0.842 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1705939484 FFGIXUJUIFAMQP-CYBMUJFWSA-N 432.572 0.696 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1722296649 SYIYUHNTHMHOGE-YJBOKZPZSA-N 433.534 0.610 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722368466 RYZUKUFTXFTCTP-HZPDHXFCSA-N 438.531 0.448 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1722441114 GYWNJUSPSCAFDO-QFIPXVFZSA-N 428.512 0.818 30 10 ICEE CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1727291227 DJUBPQGNHJIEDX-PBHICJAKSA-N 444.533 0.604 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1740686409 SNECWUKKDFQBQA-QGZVFWFLSA-N 435.506 0.426 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1749067385 RYBGZSIIFMJMDP-BIENJYKASA-N 434.522 0.161 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760274047 FTELDKBCGKLJHI-AWEZNQCLSA-N 428.584 0.313 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865721740 ANCZSBBEALELGR-GFCCVEGCSA-N 447.835 0.642 30 10 ICEE O=C(CCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])ON1C(=O)CCC1=O 2049397243 SDLCOOUHDFFHSC-UHFFFAOYSA-N 440.365 0.945 30 10 ICEE CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(=O)CCCCCN)[C@@H](CS)C(=O)O 90609395 HAJWRIFBUDSOPF-IRXDYDNUSA-N 439.534 0.697 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 549641466 OQIVYTUJANIJIX-QGZVFWFLSA-N 443.570 0.819 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 732465084 DRVHIBSPYFEPJT-HNENSFHCSA-N 447.517 0.619 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 764779531 QWPOVJLYDUWXKI-QGZVFWFLSA-N 425.532 0.558 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774263294 YIKIWEUAQDVDED-QGZVFWFLSA-N 441.575 0.953 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1286557611 WPYRBXNSISWJOQ-ZWOKBUDYSA-N 445.568 0.469 30 10 ICEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1290857415 AMLOHFQQHRSKTR-UHFFFAOYSA-N 448.553 0.978 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300491300 GNXQVAVWZMAOLR-CVEARBPZSA-N 434.566 0.340 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC=C)CC1 1300715965 HQBHGAAGZJBZGO-JOCHJYFZSA-N 444.536 0.198 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300768904 ZBZIOUYSPVYZRB-LJQANCHMSA-N 437.591 0.782 30 10 ICEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1314537659 DNRNUAWHPSYPHO-UHFFFAOYSA-N 437.547 0.732 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1360476039 HCLVYJWIHBYNHD-HNNXBMFYSA-N 447.569 0.740 30 10 ICEE COCCOC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1449802869 TXGHMZPWHQRPEV-OAHLLOKOSA-N 425.507 0.553 30 10 ICEE C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCS(=O)(=O)CC1 1464812160 JASQWTHOOKRSOR-HNNXBMFYSA-N 441.550 0.399 30 10 ICEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1472602585 BYPSBAHTSPQRQO-YUMQZZPRSA-N 428.326 0.971 30 10 ICEE N#C[C@]12CN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1473851052 WFNCOOLUQBHLBO-MEDUHNTESA-N 433.458 0.492 30 10 ICEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503212728 UVPNVNJCHTZCJW-CYBMUJFWSA-N 432.506 0.752 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507637684 LZZFZIAKMHFYIM-YVORESIASA-N 428.580 0.743 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508141226 URMNCHQYNSYMRE-CYBMUJFWSA-N 428.540 0.205 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1519205870 GURTWLMPZKJDGT-QFIPXVFZSA-N 437.504 0.590 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1539232484 FLXSTIGUQITBMV-UHFFFAOYSA-N 428.518 0.769 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539751500 OKVHPNCWOPXBHS-OAHLLOKOSA-N 448.549 0.429 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541936121 XQZDPSZUGMNHEN-OIPACUDHSA-N 426.543 0.558 30 10 ICEE COCCNC(=O)[C@@H]1CN(S(C)(=O)=O)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368033 KDIMOTCRNMLOQW-HNNXBMFYSA-N 434.440 0.790 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1585133173 ZRKYZAKFSJFFKP-WDYCEAGBSA-N 437.543 0.627 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1585654118 QOZPAMGJSUBODL-HXUWFJFHSA-N 436.534 0.584 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588049819 LOHKJXXONJDGEY-UZLBHIALSA-N 431.518 0.427 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1612881075 LKXNIWIUIAYIFR-INIZCTEOSA-N 428.493 0.795 30 10 ICEE Cc1ccc(C#N)c(N2C[C@@H]3OC(=O)N([C@H]4CCN(C(=O)CCn5cncn5)C4)[C@H]3C2)n1 1615002311 WKZWCUUCNXFNBE-BZSNNMDCSA-N 436.476 0.554 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1622498413 IPCVXALXCFRTOG-UHFFFAOYSA-N 447.336 0.095 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1653117575 DYAMJFBGWGHTIO-IKGGRYGDSA-N 435.502 0.837 30 10 ICEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1655770911 SMNDQVNDBYKSLY-FRQCXROJSA-N 433.559 0.327 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 1660576086 ZIUPUAZFHARTTD-UHFFFAOYSA-N 439.339 0.615 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1696053146 GKGQXUUVSQYXCI-IAGOWNOFSA-N 430.506 0.264 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705558679 FAMAQJPSAPAEGU-DLBZAZTESA-N 433.534 0.834 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1705571006 UCPMHSFRLDKNOC-RBUKOAKNSA-N 437.610 0.950 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705662438 YTLJTLAVXFUFAK-UONOGXRCSA-N 432.593 0.170 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1705934560 PMRYOCXTFOLOKS-UHFFFAOYSA-N 438.510 0.179 30 10 ICEE CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709908843 HXZLJSUHDWOCJW-UHFFFAOYSA-N 438.492 0.414 30 10 ICEE C#CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1722340845 KCUDNYIUMCZSPK-IBGZPJMESA-N 425.555 0.815 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1722390872 VMBBPXBNAZRRLV-OAHLLOKOSA-N 448.574 0.843 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722461738 PSUKSFKGWWLFTR-CABCVRRESA-N 445.636 0.919 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1722476030 XCPXMRDLNXOJPJ-RVKKMQEKSA-N 426.564 0.607 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1722617776 MGLPCVWJQRDBTR-HUUCEWRRSA-N 427.527 0.577 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722692875 ZLIMUALSBLXCIN-IRXDYDNUSA-N 433.557 0.266 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722728386 VIBAUGPMGDOUGW-HNNXBMFYSA-N 436.538 0.619 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1723556815 RLUWFNPLJZIYCR-UHFFFAOYSA-N 439.520 0.761 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1723620113 GLHCHUKUBQWMEG-WBVHZDCISA-N 428.497 0.546 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1729203839 HRHNKJGDLZMPKM-UHFFFAOYSA-N 425.536 0.732 30 10 ICEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729223959 AVQBOXROCMOJHD-CQSZACIVSA-N 445.553 0.472 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740615612 HVXYITNQLAXAIO-IAGOWNOFSA-N 435.550 0.567 30 10 ICEE CC1=CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1742486357 LTLNTSLTMUNXJU-DXQAYGFFSA-N 446.533 0.863 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1748971317 LQWBBMQJXNGWDG-UHFFFAOYSA-N 434.566 0.094 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1 1749136216 KVEYESABMNYNGI-UWJYYQICSA-N 446.552 0.677 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760114314 KMGRJBZIRMDPPV-YVSFHVDLSA-N 434.566 0.891 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1760175440 JTBDHEUMKUYKCA-QGZVFWFLSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760188442 KUSWQXNCPPWUKI-HJWYETAXSA-N 433.559 0.878 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccoc2)CC1 1760269597 MKZDTRJPFSDONX-KRWDZBQOSA-N 431.518 0.787 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1760529147 XYHPEJIOROTLTK-KKSFZXQISA-N 447.540 0.273 30 10 ICEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1O 1770222106 AKHKZPKRSBHKCC-GJZGRUSLSA-N 433.490 0.671 30 10 ICEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC(=O)N2CCOCC2)[C@H]1c1ccc(C#N)cc1 1892256634 URZAHFAXOFOTJL-WOJBJXKFSA-N 430.530 0.927 30 10 ICEE C[C@H](C#CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1902015236 XCBWNSMVLCDUOT-IXYNUQLISA-N 427.498 0.360 30 10 ICEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674619 LQZOPAADOZQZRJ-UWVGGRQHSA-N 428.320 0.472 30 10 ICEE C=CCN(C)C1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270519140 PTNWQTXVUACSTM-QGZVFWFLSA-N 425.507 0.586 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 409494057 ZCSQVDPUABKMFF-UHFFFAOYSA-N 428.536 0.170 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccn3)nn2)CC1 463344023 GVJXKMJEMKGVBC-UHFFFAOYSA-N 437.485 0.740 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 484545683 WCDFPXVVHBAZIN-CQSZACIVSA-N 448.595 0.624 30 10 ICEE C=CCCc1ccccc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 504337767 GWDGVRVCLATSRC-UHFFFAOYSA-N 426.477 0.233 30 10 ICEE C=CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 513644623 DJIIWWKSGBGMDM-UHFFFAOYSA-N 426.564 0.597 30 10 ICEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 524184831 WPUOKJUYKYSVBF-SFHVURJKSA-N 431.512 0.937 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)cc1 542644570 GEYWEXWELDIZEN-UHFFFAOYSA-N 436.534 0.853 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 761029355 NXFCNNDPJDJJDA-UHFFFAOYSA-N 434.562 0.279 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763436349 IIYUTWAEDNXCFF-MRXNPFEDSA-N 436.537 0.951 30 10 ICEE O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#CCO)c1 1141695502 ZVNHBHYEOYOFRE-UHFFFAOYSA-N 428.514 0.307 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC1 1221923547 DWHAVXVKNVSLLW-QGZVFWFLSA-N 449.533 0.671 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1286791597 XDQUMWWKYTWICI-MRXNPFEDSA-N 440.570 0.684 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300497936 FGOWXYIAQQIBQQ-RBUKOAKNSA-N 445.545 0.696 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358961445 ZFMIRXRIIFGBSQ-QGZVFWFLSA-N 428.518 0.493 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1358964195 VGEAMPZOBODOTN-HOTGVXAUSA-N 444.579 0.234 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 1471451099 NFRJQUBUPYPGEP-GJZGRUSLSA-N 444.554 0.359 30 10 ICEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035774 OEIOSGNZHZEKDE-NBQZKYEYSA-N 434.518 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507631960 HMFKVQJAKNWFMI-HZPDHXFCSA-N 448.549 0.987 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C(C)C)CC1 1507737727 DVKCEAGPXALTTP-QGZVFWFLSA-N 443.552 0.357 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1508145548 MVPZYXZDLZNVQZ-UHFFFAOYSA-N 427.571 0.763 30 10 ICEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)no1 1513739716 DJEDEFQTIXMAKM-MRXNPFEDSA-N 436.476 0.956 30 10 ICEE COC(=O)CCN(CC#N)C(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1535417387 KXPRLIVNJNEVNT-UHFFFAOYSA-N 431.511 0.716 30 10 ICEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539120238 SXSRHGCBRLUQDO-MSOLQXFVSA-N 437.566 0.826 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539222839 XIOYEAHHTFUBKG-OTWHNJEPSA-N 449.577 0.667 30 10 ICEE CS(=O)(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1539416342 NQAWPFLSFPADEP-UHFFFAOYSA-N 427.324 0.861 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1554442190 MYTUVHUNLPEAQD-UWJYYQICSA-N 426.477 0.573 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1557385928 MOSDFLWBUTZWBM-OALUTQOASA-N 426.448 0.792 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1565002547 LICJHXYXFZYOSJ-KRWDZBQOSA-N 427.571 0.112 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1588806200 JCTFVPSSACMVLE-RQZFFVEVSA-N 440.573 0.911 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1589068965 GKANDWQHOMBCSK-OAGGEKHMSA-N 437.591 0.794 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1589216083 JIFORTKLNUENLE-HNAYVOBHSA-N 438.554 0.081 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 1615208705 FXVDWOCTWDMQFQ-UHFFFAOYSA-N 426.926 0.609 30 10 ICEE C=CCn1cc(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nn1 1669875205 KIZIMUCIAYQBPH-UHFFFAOYSA-N 441.535 0.272 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1689965812 DJBXASYLXHEOTI-QGZVFWFLSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689990743 RHHJNYCUBTWUOE-HZPDHXFCSA-N 437.566 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690144111 MDKBJCLOXODKEX-KRWDZBQOSA-N 436.520 0.616 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690648262 SRJWULGLCPBGNC-IBGZPJMESA-N 431.585 0.818 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690669037 RNIVUAQJPYXMEV-KRWDZBQOSA-N 428.541 0.529 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690725496 RXJCGOKFPNMQFM-IAGOWNOFSA-N 430.534 0.580 30 10 ICEE CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1698276254 NRAQTAXTWCTZKQ-GDBMZVCRSA-N 436.494 0.349 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)CC1 1722433435 VGKWDTMOUMFQKE-UHFFFAOYSA-N 445.329 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722691822 AGOWNSJZSRDSMR-MRXNPFEDSA-N 426.525 0.934 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1740825294 LOPALOZCRJSCEX-HNNXBMFYSA-N 429.568 0.372 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)CC1 1749014252 GRDHVEHDTYBOCC-MRXNPFEDSA-N 446.533 0.491 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749043553 ITSRXPCWBRKTSM-IBGZPJMESA-N 445.637 0.983 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760184141 VPZLEJBUPOPAJX-IHRRRGAJSA-N 449.624 0.267 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)CCOC)CC1 1760267851 CKEQOPLEUBVBSV-UHFFFAOYSA-N 427.553 0.828 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1761448194 UANYTQVVTRULOQ-STQMWFEESA-N 441.535 0.562 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1764188272 SECGALLKNLTWRJ-IERDGZPVSA-N 429.525 0.936 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1767213695 AHOZOEBCFMEJKC-LJQANCHMSA-N 441.536 0.736 30 10 ICEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1768200093 OOVFUDDOXZZJQH-UHFFFAOYSA-N 434.522 0.893 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)[C@H]4CCCO4)C(=O)C3)C2)cc1 1855847166 FXDAFFWBTOQXOI-SJLPKXTDSA-N 432.502 0.171 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)[C@H](C)C2=O)CC1=O 1857113830 DSSKBPBCHRJDBU-GDBMZVCRSA-N 437.493 0.749 30 10 ICEE C=CCn1ncc(NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234025470 KQQHALXPALBUEU-BZPMIXESSA-N 445.314 0.945 30 10 ICEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267140061 OACUMEFFWVQCAW-UHFFFAOYSA-N 449.361 0.991 30 10 ICEE N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)ccc1F 524243033 SLTZCGHNNDBLMP-UHFFFAOYSA-N 431.511 0.949 30 10 ICEE Cc1cc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 544881914 NWNJBJGPQLWHEB-KRWDZBQOSA-N 443.533 0.579 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)CC2)n1 546171679 HYSIAPVPBSEAHO-UHFFFAOYSA-N 436.457 0.327 30 10 ICEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCC 732664649 SPJMPQFCYZAFME-INIZCTEOSA-N 436.534 0.961 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccnn2CC2CCCCC2)C1=O 744917955 ATWFJDIXTXLYAS-UHFFFAOYSA-N 431.449 0.922 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccn(CCS(C)(=O)=O)c3=O)cc2C1=O 760773812 NWCQKWRSJCXIOU-UHFFFAOYSA-N 429.454 0.927 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3C[C@H](O)c3ccco3)CC2)o1 763661002 BCXKDLQUPIMGRV-AEFFLSMTSA-N 429.477 0.921 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 788819895 LJMZUZYSHWFRRC-UHFFFAOYSA-N 429.502 0.620 30 10 ICEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1cncn1C 813982711 PIHGCQOOJBKCGU-CRAIPNDOSA-N 430.490 0.882 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N 1129627747 IZRJNTNQUCLYFB-MRXNPFEDSA-N 447.536 0.961 30 10 ICEE O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCC#C[C@H]1CCCCO1 1158987061 SUIAOCNNFBQYKY-LJQANCHMSA-N 447.557 0.988 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286568174 XWCVGABQYSPRRI-LQWHRVPQSA-N 446.552 0.723 30 10 ICEE C#CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1300776213 GPVSPKCQSPSCNK-MAUKXSAKSA-N 428.580 0.920 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301589752 WKCGBXWAHHPMSD-GOEBONIOSA-N 438.554 0.423 30 10 ICEE Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(=O)n1C 1304355774 GSHQUHBMMJVLMU-KRWDZBQOSA-N 430.534 0.976 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1309596936 AUBCMSQPHGPQIC-UHFFFAOYSA-N 434.396 0.669 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1314558519 CWUZFSCIEDOYOJ-ZQIUZPCESA-N 430.506 0.383 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCOCC1 1316207313 VZTFJNNJPYCONQ-AEFFLSMTSA-N 434.541 0.720 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358904640 IUUBJXNGOZFLKQ-JKSUJKDBSA-N 441.579 0.319 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358962822 XSZLXPYHWYMLKM-MJBXVCDLSA-N 443.476 0.280 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358965651 YTVINFAGHLJTKD-RTBURBONSA-N 445.545 0.696 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 1455114709 IAPAYFRADRQTMY-LJQANCHMSA-N 428.555 0.778 30 10 ICEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503927977 FGMSQNUFOXMNFM-HUUCEWRRSA-N 448.553 0.516 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1504711743 HKKBKFHWBLEOOC-GOSISDBHSA-N 446.533 0.704 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1507634654 OQTOMGAINAGSFJ-CVEARBPZSA-N 442.607 0.928 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1508090511 IXQRVQZLNOORKX-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)no1 1513739653 DJEDEFQTIXMAKM-INIZCTEOSA-N 436.476 0.956 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539090212 ZSXCHTGNFAPCLK-SFHVURJKSA-N 449.515 0.708 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540901609 KGUVBHWVBHWKSG-MRXNPFEDSA-N 435.554 0.774 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)n1 1543691673 IDNKTQXAQACBOF-UXHICEINSA-N 428.493 0.213 30 10 ICEE COC(=O)c1cn(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)nn1 1561560022 AXOZRJQKHLRQCV-UHFFFAOYSA-N 432.231 0.816 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCN(CCC#N)CC2)CC1 1564012530 DNPOJRMWKHBDRK-UHFFFAOYSA-N 434.566 0.364 30 10 ICEE CN(OCC(F)(F)F)C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1585080830 HMYFHOANTMISES-UHFFFAOYSA-N 436.412 0.574 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1595991951 PEJZGZSQUSSKRH-CVEARBPZSA-N 446.533 0.998 30 10 ICEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1632431868 DSTNDMARRVMOCS-UHFFFAOYSA-N 426.438 0.783 30 10 ICEE C#CC[C@H]1CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1671005047 QXLLDEPDRXEAKF-HNNXBMFYSA-N 443.547 0.846 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)N(CC)CC)CC1 1674174431 NAKRWOUETIIARD-FQEVSTJZSA-N 435.594 0.734 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690484803 DORIOJBBHORPQK-KXBFYZLASA-N 438.554 0.436 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)C1 1690685190 XRRFXWVVWJKAGU-CYBMUJFWSA-N 430.431 0.974 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705565595 HXRATRKHHSMZSY-ROUUACIJSA-N 431.566 0.790 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC1 1722584376 YHTGMNYOHJCODW-OAHLLOKOSA-N 447.583 0.058 30 10 ICEE CCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1728101588 JZSCWALWWDSMQJ-ZFDMEJTGSA-N 436.538 0.943 30 10 ICEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1730889045 ZUUPDXHNBFSNMX-JKSUJKDBSA-N 427.465 0.426 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740622814 IXGBMFVRJLKYII-JKSUJKDBSA-N 444.517 0.308 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740876699 LDSGWVRGVJXLTN-RDJZCZTQSA-N 440.570 0.634 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740962670 KZXWPMIPHRFCFH-UHFFFAOYSA-N 428.518 0.887 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1748842543 LWDNQJWURDBLLP-UHFFFAOYSA-N 441.455 0.820 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749401974 GRCFPYZXOSSUJE-JKSUJKDBSA-N 440.570 0.634 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749677213 RNHXSXRPTQEKNU-OAQYLSRUSA-N 437.548 0.881 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760153305 MZRUWEORZZWDDJ-INIZCTEOSA-N 440.508 0.700 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187942 MFEYNDIXBGACRZ-HZPDHXFCSA-N 435.550 0.673 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760352304 PHQUHSBTDAIIEM-KRWDZBQOSA-N 443.508 0.859 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1)C1CC1 1760477385 YPLVHWKERHWQAD-VQIMIIECSA-N 425.555 0.927 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1761292331 YLTURWZQWYIUIU-GCJKJVERSA-N 445.568 0.974 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)CN(C)C1=O 1766408765 KTLRWMTWEZOKDE-VFNWGFHPSA-N 439.524 0.670 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1850463722 WCDLZKMAYWXURR-UHFFFAOYSA-N 433.509 0.783 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2=O)CC1=O 1854710762 VGURYCCUEVWACZ-CABCVRRESA-N 435.502 0.478 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(OC)c3)[C@@H](C)C2=O)CC1=O 1854710959 YNKAQXRZDBQHGV-LSDHHAIUSA-N 435.502 0.478 30 10 ICEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)C4CC4)C3)CC2=O)cc1 1855022191 VUALKCHGZPUFNG-GOSISDBHSA-N 430.530 0.728 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818651 NYXDEUVJZZPSCS-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)o1 59883871 RKWKBRHMVTZOLU-NGYBGAFCSA-N 434.486 0.448 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 642092630 UGQCEKOQFQCJRD-UHFFFAOYSA-N 429.546 0.094 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cnn(CC)c3)c2=O)cn1 735068533 JNSOLYRSYPATNC-UHFFFAOYSA-N 439.545 0.750 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 741343942 XLGIPFTZPRONDM-VHEBQXMUSA-N 446.485 0.492 30 10 ICEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 760628264 QPEIFDVFQCBFPK-MRXNPFEDSA-N 430.486 0.801 30 10 ICEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 771264271 BUDFEFXYJWYGQD-AOMKIAJQSA-N 425.489 0.969 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 774234313 HAZWQJXMKSCGJG-KBXCAEBGSA-N 435.502 0.641 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 816693175 DSPNIALZKBNMMX-OAHLLOKOSA-N 433.442 0.979 30 10 ICEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nn1 1221491135 XUPGHHUFVGQDOD-KRWDZBQOSA-N 434.522 0.921 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286390276 ZVPFLRZPTNREGV-GDBMZVCRSA-N 448.936 0.953 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286785795 IVNHYGLINHMIPK-HUUCEWRRSA-N 428.497 0.682 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286789705 JQDBLQUJTTZHID-MRXNPFEDSA-N 441.540 0.845 30 10 ICEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435611 BCNCMIUPDQSOFC-PMUMKWKESA-N 440.547 0.376 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1300479397 NPQCXRUFQALVCY-QGZVFWFLSA-N 437.566 0.958 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@@H]2CCOC2)cn1 1300602027 NNVYSSABMXLZLB-JKSUJKDBSA-N 435.554 0.748 30 10 ICEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@](C)(C#N)C3)CC2)c1 1308113101 CISUDQUTCKMTSU-FQEVSTJZSA-N 434.518 0.337 30 10 ICEE COC(=O)[C@@]1(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CCOC1 1453690776 NOCDROLFJDACRD-VGOFRKELSA-N 426.473 0.387 30 10 ICEE Cc1c(Br)c(C)n(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)c(=O)c1C#N 1457778492 KSCXRECDNTWMSS-UHFFFAOYSA-N 436.266 0.938 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1505136575 CLPSGBVIXQROLH-OAHLLOKOSA-N 433.494 0.214 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1505319754 JMMLNFOPYFCRDS-ZWKOTPCHSA-N 447.517 0.503 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1507715876 JNPBXHCOPGBPDU-UHFFFAOYSA-N 443.939 0.753 30 10 ICEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507952443 UHWVTNRGGRNMIH-QGZVFWFLSA-N 435.488 0.842 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508079538 YHDRKDRENBINEC-UHFFFAOYSA-N 441.536 0.466 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1513177050 ABTVTQYZYNQIQK-DEYYWGMASA-N 426.518 0.927 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1539482092 RCOIVMAIDHYTFA-JTSKRJEESA-N 428.537 0.616 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1540037117 BLHFHWAOZRALIT-MAUKXSAKSA-N 442.517 0.646 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588055789 ZFHPVXWCGJODML-HOTGVXAUSA-N 433.538 0.459 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1588763222 SYIJPJDFGJIKFU-SFHVURJKSA-N 437.504 0.697 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)CC1 1588848412 DUGOUDJEZMYLIW-UHFFFAOYSA-N 434.541 0.655 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595577466 SWOMTQNGZDWHGI-AEFFLSMTSA-N 435.488 0.746 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1596212479 GJTKZPFWLOPYGV-ZFWWWQNUSA-N 432.506 0.750 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)n1 1618759000 LZEXOMSAULIPFV-UHFFFAOYSA-N 426.473 0.875 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1636480342 NLOFISCKAOLWBG-UHFFFAOYSA-N 432.462 0.221 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1638689800 LGSRHSCIERSEDP-INIZCTEOSA-N 445.524 0.327 30 10 ICEE C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1640831198 FZSFHOSTVJKDQS-SFHVURJKSA-N 433.553 0.901 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1683130586 MEBVXCVSZXPFBI-INIZCTEOSA-N 434.518 0.626 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1690713996 BDLXXIQYMFMIDO-AWEZNQCLSA-N 427.527 0.407 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1705476396 ZDEZMRSTYQINOO-AWEZNQCLSA-N 425.555 0.594 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1705699470 HKBHLBMXCJXQLX-ULQDDVLXSA-N 443.570 0.675 30 10 ICEE CSCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1712819522 SMTSUHREANOUBB-VDMFXUGISA-N 433.538 0.945 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1729224009 CRNUYXAVDMGECG-QGZVFWFLSA-N 439.473 0.387 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCOCC(F)F)C1 1731012251 CWMGOGPDNNOUPE-CQSZACIVSA-N 448.496 0.633 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740622354 XTCJYLSVRDVKOT-SFHVURJKSA-N 442.549 0.901 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1760174711 HCFFXXIRABFHEX-OFLPRAFFSA-N 425.555 0.886 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760321741 JQCQOKYXLWUQIB-XLIONFOSSA-N 443.556 0.793 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)C(C)(C)C2=O)CC1=O 1854771981 LOHQAKVNTRFBIC-CQSZACIVSA-N 437.493 0.998 30 10 ICEE CN1CCOC[C@@H]1C(=O)N1CCC(=O)NCCN(c2snc(Cl)c2C#N)CC1 2060431683 AIYBEYBKBANQOX-CYBMUJFWSA-N 426.930 0.154 30 10 ICEE C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 9443827 NAWPWPVUCQAFNU-UHFFFAOYSA-N 447.307 0.929 30 10 ICEE CC(C)N(C[C@H]1CCCN1C(=O)[C@@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687376 FLTKNBXQHHLBQA-SJORKVTESA-N 434.346 0.335 30 10 ICEE CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 432231495 HZEHUXDGBFTPIG-MRXNPFEDSA-N 442.563 0.355 30 10 ICEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@@H](C)n2cnc(C#N)n2)c1 552737976 KGZDARAWWNNBNC-LLVKDONJSA-N 441.311 0.876 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 554025239 ANQHAXZDLLHXPC-OAHLLOKOSA-N 440.547 0.399 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 605406118 AYRBOPZWQIVDBF-UHFFFAOYSA-N 429.521 0.540 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 746403292 MMKPVNZYAGQRDV-SECBINFHSA-N 448.320 0.842 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759332925 IYJUWPKUJMAXPR-HUUCEWRRSA-N 427.523 0.989 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 771385185 CMZGPPBBLGCNQT-HSZRJFAPSA-N 440.500 0.759 30 10 ICEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 781398547 YUOQHDGEMNVQSE-SFHVURJKSA-N 431.514 0.464 30 10 ICEE C#CCn1cc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)cn1 1192327348 BTLLILPAMQTWBV-OALUTQOASA-N 432.502 0.972 30 10 ICEE C#CCN(C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCS(=O)(=O)C1 1231210731 JZOUZINMMRJVBK-HOTGVXAUSA-N 441.550 0.987 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1286469698 JNRQHSNAWSJHEU-UHFFFAOYSA-N 434.508 0.196 30 10 ICEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(=O)OC 1299179199 UBNZTKHFHNUQGD-QGZVFWFLSA-N 437.518 0.316 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1301390923 PPBGCHIOMZUQAT-HZPDHXFCSA-N 443.595 0.783 30 10 ICEE COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1315671475 GHCPYAHXBZXLHX-YOEHRIQHSA-N 449.537 0.659 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 1327053089 MQUWPLSVIITEIE-UHFFFAOYSA-N 435.509 0.930 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1358948542 FEACOQXWBSROFK-FXAWDEMLSA-N 433.534 0.588 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)n1 1459760085 UYTVCSYPSWALTR-UHFFFAOYSA-N 437.543 0.997 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1507518441 VGSWEUGNMFEXHP-GJZGRUSLSA-N 432.550 0.949 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508087909 QSTWKCTWQDYWGS-INIZCTEOSA-N 429.525 0.513 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C 1538992384 QIPAJUBMJFQCER-HNNXBMFYSA-N 443.537 0.707 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCn1cccn1 1539071901 GWPYCOZNUGPMBW-KRWDZBQOSA-N 435.554 0.747 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)NCC(F)(F)F)CC1 1539430997 QMSOZDMKCLANNC-AWEZNQCLSA-N 432.447 0.436 30 10 ICEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOCC1 1540907461 XQIWTPMNJGYYMB-UHFFFAOYSA-N 425.536 0.707 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)CC1 1542895040 XTBQENQCAUCZOD-UHFFFAOYSA-N 426.521 0.201 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1543060248 HSSHIXUJPDAXKU-ZWKOTPCHSA-N 438.569 0.979 30 10 ICEE C#CCCCn1c(-c2cccn2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1587837554 FFIMGMPDYLUFAD-UHFFFAOYSA-N 437.508 0.164 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055042 RUUCTCLWLUVEQZ-JYJNAYRXSA-N 437.566 0.917 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCOC)CC1 1588864953 NCNDESMXMDSPPW-NRFANRHFSA-N 446.577 0.812 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1595392862 BTCLBXLEIIBDGZ-OAHLLOKOSA-N 426.543 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595784071 BIJVANZIUKACJF-OAHLLOKOSA-N 442.567 0.293 30 10 ICEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1611054220 IMHMLGCUCYTBRO-JKSUJKDBSA-N 442.542 0.155 30 10 ICEE C=C(C(=O)OC)[C@H]1[C@H](O)[C@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1OC(=O)/C(C)=C/COC(C)=O 1615811239 WTHXAFPDZHTOOX-NFTUOYOXSA-N 438.473 0.864 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1690669513 HOYUNPLLECGICI-UHFFFAOYSA-N 438.510 0.179 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(C)=O)c1 1705505887 VKDHTAQRYHQRDE-SFHVURJKSA-N 437.504 0.812 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1705573615 KLFGGWPSJRKIAL-GJZGRUSLSA-N 446.499 0.845 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(C)(=O)=O)CC1 1705641840 VXMMIJVWNZKBBL-UHFFFAOYSA-N 431.562 0.872 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)CC)CC1 1705650000 KUMBQJVONPDCDC-UHFFFAOYSA-N 444.561 0.664 30 10 ICEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 1705685496 BFJCEGMPCDWYSJ-LLVKDONJSA-N 433.332 0.219 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705932143 MXHOYALSEXSVGT-OAHLLOKOSA-N 431.522 0.497 30 10 ICEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1710310580 VSYUUULHCVZSPC-ZDUSSCGKSA-N 429.481 0.897 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1722373194 KCLSGNVGSKOFDD-INIZCTEOSA-N 438.517 0.590 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1722414134 WEZIHZWIZSFAFI-KRWDZBQOSA-N 438.598 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2ccnc2C)CC1 1722440204 AUAJFTDUACRBJL-UHFFFAOYSA-N 438.536 0.685 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1722725837 TZTJTGJMGFWVHT-INIZCTEOSA-N 437.497 0.636 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1740623583 WYUAIOYBIPKVIW-IRXDYDNUSA-N 436.582 0.588 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740625980 UPGULVMYHDYGRL-WIYYLYMNSA-N 446.577 0.927 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C 1740963874 ZSPPYCZQGLTXDC-UHFFFAOYSA-N 447.565 0.923 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760183837 UIXWSJROGFOROK-OAHLLOKOSA-N 425.555 0.594 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760688461 IAJWMQIIMPOESW-UONOGXRCSA-N 445.549 0.818 30 10 ICEE COCCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1771248834 CARQWYHTRZCNSH-UKRRQHHQSA-N 438.510 0.643 30 10 ICEE C[C@H]1CN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853923518 HILAYAUJAFWZEG-LPHOPBHVSA-N 432.546 0.974 30 10 ICEE COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294835 SFUNBGLQHNXFCG-QGZVFWFLSA-N 436.534 0.568 30 10 ICEE Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c(=O)n2C 749648768 FTCIVLYSXRNDAG-CQSZACIVSA-N 431.497 0.269 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755047834 KFUBBCUWFGYQPQ-UHFFFAOYSA-N 438.534 0.727 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767879648 ISMYNHYDRRZOMR-UHFFFAOYSA-N 430.555 0.571 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@H]1CCS(=O)(=O)C1 776247868 XGOFCSHUFMKJEK-HNNXBMFYSA-N 443.522 0.698 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802584297 CPOZAHCEDHISBC-SUNYJGFJSA-N 427.527 0.480 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1131775031 OFTQJQLXSCUVFE-OAHLLOKOSA-N 429.520 0.154 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1213385538 VGUKYQFCULHWNS-SCLBCKFNSA-N 425.463 0.536 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286472911 MNTNTQMRCKLBFG-YLJYHZDGSA-N 437.566 0.120 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCNS(=O)(=O)Cc1ccon1 1286521616 AWYPQFQIHLXEPC-LJQANCHMSA-N 442.505 0.835 30 10 ICEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1286634634 YXOHELWODNAZFV-UHFFFAOYSA-N 449.537 0.778 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1300455467 KFFBJAOTVHJZPI-UHFFFAOYSA-N 443.533 0.684 30 10 ICEE C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1301473936 NSLDQPQLKAQIMC-NRFANRHFSA-N 434.541 0.097 30 10 ICEE C#CC[C@]1(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1304149440 YQFQXGOXERBLKV-OYHNWAKOSA-N 445.520 0.974 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359034756 BVMOGWRYPFDESU-QGZVFWFLSA-N 437.566 0.215 30 10 ICEE CN(C[C@@H](O)CN1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1445377527 XGAAQPDCCRPIJO-NYXBAERPSA-N 436.553 0.925 30 10 ICEE Cc1nsc(N2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)c1C#N 1450540697 HECNBLFYCCBIFY-KRWDZBQOSA-N 431.493 0.831 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)C1 1471336103 JMRSGJHOLBNRRI-UXHICEINSA-N 441.580 0.649 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1503283681 BFYZARDASCCYJS-OAHLLOKOSA-N 444.583 0.250 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1507632353 ZLQBNJDMDRNECP-IAGOWNOFSA-N 433.534 0.937 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(OC)c2)CC1 1507723504 KUSCAZUIRREIKA-UHFFFAOYSA-N 446.515 0.929 30 10 ICEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510067797 XYMGFECONGMSQJ-UONOGXRCSA-N 445.549 0.665 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1540871845 VKUDPRLBAVEMJC-OAHLLOKOSA-N 435.554 0.469 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540917353 UBBNKRKVNWILKC-RBSFLKMASA-N 444.579 0.460 30 10 ICEE CN(CC1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554245345 PABHPOMRPHZPNZ-LZICOFPGSA-N 443.508 0.618 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 1557799341 SHAPVWJOBPZAGX-MRXNPFEDSA-N 439.534 0.898 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1564690521 SZSXJLWFHPLXPC-KZNAEPCWSA-N 429.477 0.408 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)c(Cl)c1 1565223189 KVUQNMLIBIJGRR-FQEVSTJZSA-N 433.896 0.671 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587766465 VKLXEXKVXBZKDE-HOTGVXAUSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1588073645 AZGMCAAQBCVWNH-IRXDYDNUSA-N 432.550 0.900 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593625062 IFEVMLVNMXWRIG-HNNXBMFYSA-N 435.510 0.445 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)c1 1624911937 BPKXFUCLQKOHAB-ICSRJNTNSA-N 437.475 0.945 30 10 ICEE CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](C#N)CO 1636605680 ZJYLJMKZCSFZAN-YPMHNXCESA-N 436.353 0.850 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1637260864 QLVHEVMNUMJGCB-VQIMIIECSA-N 425.528 0.950 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]12 1641614953 TYUJRXJYWIIKSM-HZMVEIRTSA-N 446.485 0.034 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1643372547 QILOFLLIYVMSQD-GDBMZVCRSA-N 431.436 0.780 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)CC1 1666441947 VPZDSSUPTUZPRF-INIZCTEOSA-N 435.550 0.966 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1689998361 KFBFKCVHPVULED-HZPDHXFCSA-N 442.563 0.357 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690508044 ACTVFYPTTXELAW-CVEARBPZSA-N 425.555 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1690731839 RIPUREPVEQKKKP-JYJNAYRXSA-N 442.538 0.602 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N2CCOCC2)C1 1705916206 ITDNTGGXWZVPGT-UWJYYQICSA-N 435.525 0.570 30 10 ICEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722457119 QHFYQKXPFYHRRI-HNNXBMFYSA-N 440.529 0.467 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722698781 METYEJYWFNEMLC-UHFFFAOYSA-N 426.587 0.935 30 10 ICEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1722703791 IBIDKZHKGXLREX-PWSUYJOCSA-N 444.468 0.711 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740616074 RQSVQENDXLJWDU-INIZCTEOSA-N 445.549 0.384 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740703505 VLJYLXXGBKPBJE-IBGZPJMESA-N 429.569 0.495 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740953621 MHALHSLAJHXWGH-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1744050645 LDKLYCSSFBSYCN-KRWDZBQOSA-N 429.522 0.578 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748817465 KYXRQLXPCIRUIG-GJZGRUSLSA-N 434.522 0.597 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1748820050 YDRPZJXZBGEWSB-DYESRHJHSA-N 442.545 0.369 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1749737939 AUOQJYXIJZXYQN-UHFFFAOYSA-N 439.582 0.907 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1760175523 LKSZPPDYQXWICX-QAPCUYQASA-N 439.563 0.650 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760515272 USBSXBFBMNRLHM-ZBFHGGJFSA-N 431.541 0.461 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1761502302 XVDIAQTWBHEYBR-PBHICJAKSA-N 448.549 0.893 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766728457 MVVYIMNAQWLJMX-NVXWUHKLSA-N 437.570 0.288 30 10 ICEE CNC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1767806225 LKWAXIJMVBQAFQ-HUUCEWRRSA-N 449.512 0.451 30 10 ICEE COCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1769703188 VURYMWLRELEFBW-YJBOKZPZSA-N 428.534 0.590 30 10 ICEE COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1771132318 LVVDDFPMNUWTGE-AWEZNQCLSA-N 437.526 0.170 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CCO1 1771536806 CEZPOYNWMYDRJS-IXDOHACOSA-N 439.538 0.495 30 10 ICEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1849312565 HHXMTSPRUBLQAU-CYBMUJFWSA-N 427.280 0.598 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613908 XZRADQRNPJHWPN-NJAFHUGGSA-N 429.473 0.480 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256883098 ROUGSUVNCRPAHC-AWEZNQCLSA-N 430.270 0.514 30 10 ICEE Cn1nc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267541736 HZUKPXMIEFBHOW-GOSISDBHSA-N 439.369 0.923 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 524282628 ASFSGALBFIHPHJ-UHFFFAOYSA-N 445.884 0.649 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)c1=O 535614428 SKMPXARNJFTJLL-UHFFFAOYSA-N 444.469 0.651 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767881370 VDAGFYPVVRTNDT-UHFFFAOYSA-N 432.571 0.817 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 772277437 IPPLMHHRDSNGII-MRXNPFEDSA-N 425.514 0.511 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)CN1CCOCC1 773384962 SZBFZLTUBCUQMP-MRXNPFEDSA-N 438.550 0.095 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CCN1CCOCC1 777942808 PLNYSGRLIARNLS-UHFFFAOYSA-N 429.433 0.316 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)c1cc[nH]n1 813635774 GMOHPKRWXJKCHC-MJVIPROJSA-N 447.414 0.998 30 10 ICEE CN[C@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)[C@H](OC(C)=O)[C@@H](C)CC=O)C(C)C 1083140864 VISBGPYNPJUPAI-FAJAVTLNSA-N 441.569 0.944 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134279435 OHFQHJJTVRMFLP-ZWOKBUDYSA-N 433.486 0.421 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@@H]2CCCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1141463996 WAQWPQPWARRGMX-ZUOKHONESA-N 443.497 0.831 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1286727128 NHEQTWZSDIKJHU-CQSZACIVSA-N 429.934 0.783 30 10 ICEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(C)(=O)=O)cs1 1290430683 CTBUDKGFIQRKPN-MRXNPFEDSA-N 435.579 0.855 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1299133043 DDBSPWQRYLJYOA-OXQOHEQNSA-N 428.518 0.636 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1300653775 NVXHOSXBIXOIPU-AWEZNQCLSA-N 435.506 0.751 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301498697 SJARUDWZCVBDTO-LBPRGKRZSA-N 447.437 0.554 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 1312920679 GYUKGCZSCGVYIM-IAGOWNOFSA-N 435.550 0.934 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CCO1 1316537864 FUWVIUGWGZXEEF-STQMWFEESA-N 435.286 0.617 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1358889440 BTWYCCMFJGEUAF-NXOAAHMSSA-N 425.555 0.742 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)COC)CC1 1359040816 GZYAUGSQQFLQHS-CABCVRRESA-N 440.570 0.137 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1507633780 HCJIQKXEFFQLBG-HNNXBMFYSA-N 436.563 0.397 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1508235370 DTLIBXIAQGTNFX-QGZVFWFLSA-N 428.518 0.920 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C[C@H]1O 1517691078 VSHYGPIOSZBJJF-QZTJIDSGSA-N 440.504 0.949 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1537488935 VDQJIDOOWBBGGJ-JXFKEZNVSA-N 446.485 0.179 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1539416732 SVWDMYHRPDODEN-MRXNPFEDSA-N 446.533 0.805 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1570537824 HCUIPZBKRPXVAH-MRCUWXFGSA-N 430.530 0.784 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1594089861 ARQYCFDHUWLGDU-HNNXBMFYSA-N 440.595 0.764 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1594963869 YSKKZGLPOCCBEE-AWEZNQCLSA-N 444.558 0.758 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1595789373 RLPUOHFNCZVYQP-CYBMUJFWSA-N 426.543 0.181 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H]1C(=O)OC 1617317504 APHQNSOXGVBFCJ-AEGPPILISA-N 433.848 0.985 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)C2=O)cc1 1634588106 FSPYPKAJPGLBLM-KFWWJZLASA-N 429.420 0.998 30 10 ICEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1649557318 FXFOTWIOPIUUNS-LMCNMRDDSA-N 429.481 0.323 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1689853100 PEDHJUSRSKMFGW-RBSFLKMASA-N 429.568 0.062 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1696990450 GNOXULMYKKZUMK-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1705540564 FRGBAHWJJSCVLY-UHFFFAOYSA-N 438.941 0.822 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705564531 BNPNHYJRJIGAFF-NVXWUHKLSA-N 445.549 0.255 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)CC1 1705642062 FIANQWMAQVDNOX-UHFFFAOYSA-N 430.553 0.741 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1705717755 RCFSSBOCWMYOBH-HNNXBMFYSA-N 428.559 0.538 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705829488 SOZUTQPNBSJUFR-QGZVFWFLSA-N 447.540 0.396 30 10 ICEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1730889043 ZUUPDXHNBFSNMX-HOTGVXAUSA-N 427.465 0.426 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1740702852 AKGJVCQZYMWYNY-NRFANRHFSA-N 432.594 0.760 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1740709516 OGSBQUVNLJDJDJ-KGLIPLIRSA-N 428.584 0.312 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740960226 NRNHVDJFYYSXMF-HOCLYGCPSA-N 447.565 0.730 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)C1 1740982818 XHVNBTALBZISAN-GPMSIDNRSA-N 426.539 0.767 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1748790914 ONLQWJHJTPVYRA-KBXCAEBGSA-N 439.563 0.650 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1748791195 PZZVYHKNLVZQHG-SJORKVTESA-N 426.587 0.657 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1748989556 NDEXOKNCMZLNFS-QRVBRYPASA-N 435.594 0.997 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749730555 IGKWDTYRIQGELN-QGZVFWFLSA-N 449.581 0.438 30 10 ICEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750262573 DPMISNUMJRVJQG-BBRMVZONSA-N 444.558 0.949 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760184722 YCYHCIMCMQZJFF-QWHCGFSZSA-N 435.959 0.268 30 10 ICEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCN(S(=O)(=O)N4CCCC4)CC3)C2=O)c1 1857396960 WWHXOIZDCDUEDK-GOSISDBHSA-N 431.518 0.258 30 10 ICEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1 1859010643 AKJGFIQGXZYPPI-UHFFFAOYSA-N 443.481 0.823 30 10 ICEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243020868 NLJLWEJTSNWRLM-AWEZNQCLSA-N 429.514 0.657 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2317676257 PZNCFXKQZWETQS-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 513181939 BJPOVTWSCLKRLN-UHFFFAOYSA-N 440.953 0.414 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 520148047 CHOIJMYECJKAOZ-UHFFFAOYSA-N 448.589 0.680 30 10 ICEE CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 532976661 JNTCLFDJUJMEJD-JKSUJKDBSA-N 449.577 0.980 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 533787836 NSTFCJOIWBISLS-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 539774272 NQVYRVZPIYUYRB-UHFFFAOYSA-N 435.483 0.982 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 542175028 XBHKSCUILFSKPY-WMLDXEAASA-N 444.517 0.266 30 10 ICEE N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCN1C1CC1 732664022 KDMCPAOHWLVNOG-LLVKDONJSA-N 433.353 0.988 30 10 ICEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706084 DOJRDPQCKAKEFB-RHSMWYFYSA-N 449.533 0.137 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CN1CCC[C@H]1CO 781936819 HBRQDODMKIMAFI-MKSIGINJSA-N 427.505 0.969 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 917688418 RUGDBDSIXNIDEM-KQWNVCNZSA-N 443.489 0.582 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 917925716 KJORJEGHKKOGJZ-OAHLLOKOSA-N 448.588 0.794 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286482026 LYYTVAAJLLLXRB-NRFANRHFSA-N 447.536 0.313 30 10 ICEE CCc1nnc(N2CCN(CCOC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293139085 YUXKKKVKQBGGRR-FMQUCBEESA-N 431.541 0.914 30 10 ICEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1)N2C(=O)OC(C)(C)C 1294723960 XTAQJMIWSRLDBJ-NXNVCVFFSA-N 434.493 0.758 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1300454971 CQTAMDACORAIGS-UHFFFAOYSA-N 426.502 0.839 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)N2CCOCC2)CC1 1300683595 QZSADUOULOURRO-LJQANCHMSA-N 434.585 0.868 30 10 ICEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)C1 1313380497 ANKLABMQMCNFII-GDBMZVCRSA-N 432.525 0.588 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1359057684 GEUXVBSWXJUSJM-HUUCEWRRSA-N 445.636 0.919 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359126123 GJJWQLVVULOKHI-GJYPPUQNSA-N 443.570 0.865 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359304031 JDHWVVQVZOAUDR-QGZVFWFLSA-N 439.520 0.990 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1445697351 ZJEDTXNEDSQLER-UHFFFAOYSA-N 440.909 0.559 30 10 ICEE C#CCC[C@@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478933998 FNQMHZDWFLHUPQ-GOSISDBHSA-N 438.550 0.221 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 1507799834 LBTLFAYJIQBSOL-ZOBUZTSGSA-N 438.554 0.292 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 1507820218 AYPOCEWCJXBZNQ-APWZRJJASA-N 443.570 0.819 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O 1507820501 FOQPAIJQLWVRMD-CQSZACIVSA-N 435.572 0.058 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1507981336 JVHNACJOTCYFHO-OAHLLOKOSA-N 439.563 0.759 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1508084500 CGHLHOBGVGFSGX-OAHLLOKOSA-N 430.538 0.310 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539210120 AUBMIJZTMDUCBD-ROUUACIJSA-N 446.577 0.631 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539444714 SZDQBWCXIMOJOX-IBGZPJMESA-N 425.585 0.460 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)C1 1540875715 WAFAZXCFOKWBPG-UHFFFAOYSA-N 428.493 0.836 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1541803226 DYAQASZKDWAGSR-RBSFLKMASA-N 429.568 0.886 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@]34COCCN3C(=O)COC4)CC2)c1 1565005494 UYZRUIIVNIMEOV-JOCHJYFZSA-N 427.505 0.450 30 10 ICEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1588260902 BMXXHGKHVBJPSQ-DHMWGJHJSA-N 426.395 0.556 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1588638054 NVAWXFJWWNQHND-AEFFLSMTSA-N 427.509 0.716 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1612878737 OUJLOUFDMBLRMO-DPHDRGAJSA-N 436.476 0.533 30 10 ICEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1623628698 DBTCHOXBMKDUFS-GJZGRUSLSA-N 436.509 0.936 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@H]23)CC1 1636480684 USMKEOCXMMZPTJ-XUWVNRHRSA-N 426.539 0.148 30 10 ICEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CCO2)cc1 1641226557 DSJWVZVWHHGCKR-NHKNDPDJSA-N 433.486 0.907 30 10 ICEE C#CCN(CC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1)C(=O)OC(C)(C)C 1647892450 JIUPEXKVIMKPHD-UHFFFAOYSA-N 436.534 0.853 30 10 ICEE C#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 1666227144 DFQHELJWHHSDOE-GOSISDBHSA-N 426.560 0.568 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 1670430826 NEDTYPLQXYSDQC-UHFFFAOYSA-N 446.283 0.974 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1682226499 KWFCCGJZAWUPRK-FXAWDEMLSA-N 432.502 0.258 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1689966595 WLNVBDXWAGBJIF-OAHLLOKOSA-N 437.547 0.140 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1690684793 OAZHKLFKTXJVNR-GJZGRUSLSA-N 431.497 0.284 30 10 ICEE COc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1697529806 AMSMVZBEIARTMH-PBHICJAKSA-N 434.522 0.868 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1705571969 MRDANLSAKHHYBX-UHFFFAOYSA-N 435.550 0.209 30 10 ICEE CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1711411090 DFOANLRQANSNCY-CYBMUJFWSA-N 433.494 0.155 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722353171 SNURZZRGHLNYPY-AWEZNQCLSA-N 439.538 0.543 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740567906 XMCMZVDDEJXIBU-FXAWDEMLSA-N 438.598 0.993 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](COC)OC)CC1 1740708076 AYBNMGAXCKSYIM-KRWDZBQOSA-N 432.525 0.028 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1748667363 SERSVEYKTUPSLO-ZIAGYGMSSA-N 426.568 0.066 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748815581 RNKSRYOPQRYJTJ-DLBZAZTESA-N 445.549 0.222 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749022363 ISJBSHALMSMHPL-CXAGYDPISA-N 426.568 0.114 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1749230593 ZUKCGVDAUHAFSG-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749663460 GCANGXNIVFRVIV-UHFFFAOYSA-N 428.541 0.566 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1749670526 UVMKUDDJRODKAM-KSSFIOAISA-N 425.580 0.816 30 10 ICEE CC(C)C(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1750546714 HCKWCKQCKJYBFC-AWEZNQCLSA-N 449.537 0.706 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760184723 YCYHCIMCMQZJFF-STQMWFEESA-N 435.959 0.268 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N1CCOCC1 1760245410 CAVDNDOKIMOLBT-UHFFFAOYSA-N 427.461 0.619 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760260513 VRPIJQPAEYTSNO-RBUKOAKNSA-N 429.569 0.341 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760270154 SJOPZXYXHZJJHO-QZTJIDSGSA-N 449.577 0.715 30 10 ICEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1760479266 JTMCSMJZFYBODO-QGZVFWFLSA-N 443.533 0.843 30 10 ICEE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651283 LWUMAAJCYKUUHJ-UHFFFAOYSA-N 443.485 0.612 30 10 ICEE Cn1nnc(Br)c1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2158579959 JTGHMWFWHYVUDH-UHFFFAOYSA-N 445.108 0.468 30 10 ICEE C=CC[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 2210482181 MONBORCJOBSNRB-GBJTYRQASA-N 429.514 0.913 30 10 ICEE Cn1nc(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 2255622485 ZYERLQBCZMGHPQ-ITGUQSILSA-N 433.318 0.709 30 10 ICEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267193120 ACJTZDTZVMJRGG-ZDUSSCGKSA-N 448.329 0.876 30 10 ICEE C=CCOC[C@@H](O)Cn1c(NN=C(C)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 254874322 UUESRFWLLCHIPE-INIZCTEOSA-N 426.477 0.833 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 508938564 KUJMVZAJXFMDCL-IUVQAAGXSA-N 441.554 0.570 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 515652424 LNUOYIDVZOBGEW-CYBMUJFWSA-N 446.510 0.864 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543977743 KXFVMYWSYXMNBC-HZPDHXFCSA-N 437.508 0.493 30 10 ICEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CN1CCOCC1 610026872 LDBYWHIMDORSOU-QGZVFWFLSA-N 435.550 0.542 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3)c2=O)cn1 735069035 KXKIKKBEDVCYGP-UHFFFAOYSA-N 437.525 0.771 30 10 ICEE C#CCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774194493 GNEQJOTWSGEDEX-IBGZPJMESA-N 434.562 0.649 30 10 ICEE C#CCN(CC(=O)N1CC(=O)Nc2ccccc21)CC(=O)N1CC(=O)Nc2ccccc21 914867486 WNQLVSJXHTYESY-UHFFFAOYSA-N 431.452 0.892 30 10 ICEE C#CCNS(=O)(=O)N1CCN(c2nc(C(=O)OCC)ncc2Br)CC1 1187437579 IGWKVASGGDYIOH-UHFFFAOYSA-N 432.300 0.005 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C[C@H](C)O1 1252035131 KWRMSWVWHKYCLB-KBPBESRZSA-N 427.552 0.801 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1286515473 YXFRHWZDVSRMRX-KSZLIROESA-N 437.566 0.710 30 10 ICEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286709922 IHGCMXOCBGCUBK-MRXNPFEDSA-N 425.493 0.388 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1286774102 YTQVJGTZNNPVLV-KRWDZBQOSA-N 441.598 0.930 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1301514695 LRDVNSZXPQLDHI-QGZVFWFLSA-N 428.493 0.883 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1302468974 HGQHBHXFVBHFCE-QGZVFWFLSA-N 430.490 0.607 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1316533133 DULHGCAMIIVAMA-KRWDZBQOSA-N 439.476 0.944 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1359332283 UJUSGQVURXGACZ-INIZCTEOSA-N 441.554 0.416 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1451868624 LYUORTRZWFSSLB-UAGQMJEPSA-N 430.548 0.476 30 10 ICEE COc1ccc(-c2nn(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2C=O)cc1 1456615354 ZLJYVRBRPGRDNE-OXJNMPFZSA-N 428.470 0.768 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1507678721 BVRIUZOGOFWRJV-INIZCTEOSA-N 425.603 0.374 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1508160244 DDLDNUOKGFACCX-HUUCEWRRSA-N 431.584 0.755 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1=O 1517401271 ILNQNGVXKQIDIX-JXFKEZNVSA-N 428.518 0.918 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@H]1O 1517689281 LPINNXXLCXPYPG-JBYIUTFZSA-N 441.488 0.982 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1519447256 CPCFJWZZMBTDLC-MUGJNUQGSA-N 448.568 0.968 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1540871342 JJTGSFWBIKAJAE-HNNXBMFYSA-N 425.555 0.876 30 10 ICEE COCCN1C[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1555572501 ADJDMTSDDDTWHF-IAGOWNOFSA-N 425.493 0.872 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1594813627 VIVJJBIYJCBOLP-SJORKVTESA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595785382 YWGLASHFIAJYFS-LJQANCHMSA-N 432.506 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1616927208 JMVFVTLMRPQWLS-PXNSSMCTSA-N 442.582 0.488 30 10 ICEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1619944054 WHIHWFPTOGMOAZ-ZZEZOPTASA-N 443.508 0.367 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 1637762350 LVYZTYVEUWSLTK-HXUWFJFHSA-N 433.578 0.836 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1644285364 NQZYIRUFGHYFAZ-INIZCTEOSA-N 444.554 0.014 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)CC1 1674434185 XGRWWDXYLBSDIS-UHFFFAOYSA-N 435.506 0.661 30 10 ICEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1690052668 OMOYGQVAFQQWRA-NRFANRHFSA-N 426.546 0.799 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCOC1 1690670707 HMLWZYMADXGKLN-QGZVFWFLSA-N 426.525 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1690715283 HIZPGXJRQBIXJJ-KBPBESRZSA-N 449.599 0.350 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1690725211 IKXGYRRTWLMCFQ-SFHVURJKSA-N 447.561 0.729 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CC1 1705639524 QCMTVKQGAKEFBY-GOSISDBHSA-N 429.546 0.884 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1705934757 WGOGGGAMVAKUPE-INIZCTEOSA-N 448.553 0.338 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722366661 SBNMGAMOBVATKM-GJYPPUQNSA-N 426.539 0.592 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1722413221 KAGNDWGCWZAASQ-HBIPHATFSA-N 443.595 0.372 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1722730591 WWFFLELPGNTFMI-GOSISDBHSA-N 449.581 0.845 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@H](CO)O1 1740650987 VOECYBPBXNEXLM-VQTJNVASSA-N 432.488 0.924 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1740960666 XKHRDQRKSOWQFB-DLBZAZTESA-N 437.566 0.735 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1760110843 HVCNCHHKBAADGQ-BBRMVZONSA-N 448.487 0.638 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760187957 MIEOBYLPJGMFDG-IKGGRYGDSA-N 426.539 0.460 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1760189596 VLWPGIJRRBYOLL-JKSUJKDBSA-N 431.522 0.143 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1760224400 JJVLZPKNQOQQEA-INIZCTEOSA-N 425.493 0.880 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C(=O)NC)CC1 1760270175 SWDFKEFXGHPXRF-QGZVFWFLSA-N 430.553 0.910 30 10 ICEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771054662 PBNHQIBRXXINPO-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE CCOC(=O)C(=NS(=O)(=O)c1ccc(C)cc1C)NOCCN1CCN(C)CC1 1853493929 GMOIRQYPBIJXDV-UHFFFAOYSA-N 426.539 0.722 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)CC1 1889422064 GUWUOIWVWYDKFJ-LJQANCHMSA-N 430.553 0.187 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248483154 ZYPFQZMYLXHQRQ-UHFFFAOYSA-N 440.331 0.616 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=CC(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1O 2296747993 KUVKOKYHHVKVFE-ISBRNDMJSA-N 427.453 0.905 30 10 ICEE C=CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3nc4n(c(=O)c3c2)CCC4)CC1 33790 VURBXISTCUMVMR-UHFFFAOYSA-N 445.545 0.293 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 479387385 ACKVRDFWSIZLCE-INIZCTEOSA-N 442.541 0.912 30 10 ICEE COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 486609744 KVKXINZDPQIJQC-INIZCTEOSA-N 433.527 0.900 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 488912951 BVTLPPSZBLVJBK-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CCCS(=O)(=O)NC 506909446 JZMGTMWYJQMJST-HNNXBMFYSA-N 442.519 0.690 30 10 ICEE CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(OC)cc(C)n2)c1=O 561781880 IPDOCUMJWBSVFC-CQSZACIVSA-N 430.530 0.686 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)CC1 571334624 UTPNQBTTYANIEK-UHFFFAOYSA-N 425.436 0.881 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 578673317 RWTIIQQIONVNMD-HXUWFJFHSA-N 427.549 0.850 30 10 ICEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 609082174 CEPUIJXQQUHEPC-UHFFFAOYSA-N 445.448 0.886 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 669818510 CREDMVQNLZAFTO-AGIUHOORSA-N 439.460 0.953 30 10 ICEE COc1ccc(CN2CC[C@@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 734668187 BOKCEUGZKIHXJA-OZNQOIHVSA-N 427.461 0.622 30 10 ICEE CS(=O)(=O)Nc1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 767314414 DFVKAGLVGUSYJP-UHFFFAOYSA-N 435.531 0.904 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1152967222 AWRWQSVBORPFBC-QZTJIDSGSA-N 434.562 0.521 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccco2)CC1 1286483515 OGXHUWRPZDLICS-UHFFFAOYSA-N 425.493 0.179 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300488222 PQAVUNKEEOSEDP-QGZVFWFLSA-N 428.522 0.396 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1300534904 FPPKZMAWIWBUQK-KRWDZBQOSA-N 437.591 0.971 30 10 ICEE N#Cc1cn(CC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c(=O)nc1O 1300981862 FOKNVSUEDJPVGR-CYBMUJFWSA-N 441.410 0.860 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 1302923605 AFNUKAXRUHXLPH-IBGZPJMESA-N 432.546 0.080 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1314529511 HECRWXBLALTADB-IAGOWNOFSA-N 447.517 0.612 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1358960972 PKEOVKOMSFCMRY-OXQOHEQNSA-N 428.518 0.445 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1 1449812750 DPOJDCQNSVNIJU-HNNXBMFYSA-N 425.507 0.556 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(Br)ccc3-n3cnnn3)C[C@H]1CS(=O)(=O)C2 1463163309 MYAQFBPVINFWAE-ZUZCIYMTSA-N 437.279 0.435 30 10 ICEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1473747378 NPEZOVRZKHAQQJ-UHFFFAOYSA-N 445.585 0.858 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1539369484 LTHOSICZISKCIL-HUUCEWRRSA-N 445.636 0.919 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1540884281 MSNPHDOSIZNWSU-VGSWGCGISA-N 449.552 0.994 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1542895006 WQKRLVXRESUSGG-QFIPXVFZSA-N 447.536 0.426 30 10 ICEE CNC(=O)NC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560007612 MEKMFLXPVZUFMX-OALUTQOASA-N 432.500 0.164 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588035628 WHLMLDSINJBSQH-FXAWDEMLSA-N 448.549 0.339 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1588053059 AQDZYRZAKTVDRD-DLBZAZTESA-N 436.582 0.588 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588955041 OOUOUENOTJTMGU-SBUREZEXSA-N 438.532 0.770 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593807240 IUBMBLHIARCTRM-RYUDHWBXSA-N 445.933 0.114 30 10 ICEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)C2)nc1 1641702317 HJSBVGCDYPHFDC-QZTJIDSGSA-N 439.447 0.675 30 10 ICEE C#C[C@H]1CCCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1654036790 LRYHUFUQMZUWAK-KRWDZBQOSA-N 439.516 0.904 30 10 ICEE Cc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)N(C)C 1654885822 SFHQCQNNJJEXBQ-KSSFIOAISA-N 440.547 0.054 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1655165697 MMTDOPKOFVJWBF-IBGZPJMESA-N 447.580 0.308 30 10 ICEE N#C[C@]12CN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C[C@H]1CS(=O)(=O)C2 1681850253 USYCOOGDLYRIAW-IFXJQAMLSA-N 440.472 0.881 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2CC(=O)N2CCOCC2)n1 1690109446 RNEVQXQQQSDNFR-UHFFFAOYSA-N 441.536 0.887 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1690246705 WKVJZVZYLKARAM-FMKPAKJESA-N 426.543 0.196 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1705573658 KZRVGGDJFHKEBJ-MRXNPFEDSA-N 442.545 0.759 30 10 ICEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1706349222 JMDBFGUIZUMRDC-SDSZKEBNSA-N 443.508 0.617 30 10 ICEE C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1712835438 ZTDLLQNRDKEQEK-YBTPXPDKSA-N 437.504 0.997 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1722390870 VMBBPXBNAZRRLV-HNNXBMFYSA-N 448.574 0.843 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)CC1 1722431941 QOQSJOPSOMKVGR-IAGOWNOFSA-N 444.561 0.820 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1729219044 HPHHJFLSUGLQCN-OAHLLOKOSA-N 439.567 0.692 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740621905 QBBKJIGSPQRQIF-KRWDZBQOSA-N 428.522 0.570 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740885629 KWLAPDNJTXIZHO-INIZCTEOSA-N 428.497 0.409 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1740989832 AKQPBSBYOYDPBH-UHFFFAOYSA-N 449.581 0.580 30 10 ICEE CCOCc1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747201891 RWTOSZGUHNGISC-ISLYRVAYSA-N 439.467 0.728 30 10 ICEE CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1748390695 ZLSKQUIVGAFLGR-RDJZCZTQSA-N 445.549 0.808 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1749668673 CHAJSGTUEZSUPU-QAPCUYQASA-N 429.477 0.944 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1766881407 XMTNGJBBIQQWHR-GOSISDBHSA-N 436.520 0.306 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1769308417 QEIOYFXCRMGMHR-HMWBCQRISA-N 431.497 0.271 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC(F)(F)F)cc1 1770741029 SSUFFQQMPSYFCO-ZDUSSCGKSA-N 449.393 0.438 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1851241848 SKSJLBYLWDPHRI-GOSISDBHSA-N 447.561 0.823 30 10 ICEE Cn1nc(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 2255610719 ZYERLQBCZMGHPQ-ITGUQSILSA-N 433.318 0.709 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267593312 KGFPXVYOJLDLTI-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE C=CC[C@@H](O)[C@@H]1CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906289 YFSYPWISRIJXKD-IXDOHACOSA-N 426.491 0.796 30 10 ICEE CCOC(=O)[C@@](C)(NC(=O)CNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 435984819 MYYXZCXTRSDYTQ-FQEVSTJZSA-N 430.486 1.363 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 463366949 JKOQMJFEFBHLDE-UHFFFAOYSA-N 440.522 0.135 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 478391048 KJGMLFVDWNTZBB-LJQANCHMSA-N 445.520 0.439 30 10 ICEE C#CCN(C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 740819001 IGTWJDZRXNUKEI-AWEZNQCLSA-N 429.516 0.517 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCN1CCOCC1 767955426 LHMMGKLIBXHACN-UHFFFAOYSA-N 444.557 0.481 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c1 783075316 PHFUTXDPLHXOAW-KRWDZBQOSA-N 429.502 0.253 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1F 800668381 UDXRHSXHYYQMSD-ZFWWWQNUSA-N 433.527 0.738 30 10 ICEE C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1)[C@H]1CCCO1 809308296 HCRJBFBDBOGJDV-IPMKNSEASA-N 447.919 0.995 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2nnc(CO)c2C1 820134128 RBVGWYICPDHMDR-AWEZNQCLSA-N 432.506 0.266 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 917795124 HAOXFCKMWLMUHF-UHFFFAOYSA-N 444.520 0.903 30 10 ICEE CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O 1083816788 QXSOYPUOFNJBDA-YTQIUSBHSA-N 438.476 0.162 30 10 ICEE CS(=O)(=O)CC1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)COC1 1143730819 PUBUMOIBTRBCIZ-UHFFFAOYSA-N 443.547 0.215 30 10 ICEE C#CCC1(O)CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1153262833 RVTBYXLYXSBUMF-UHFFFAOYSA-N 436.530 0.635 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1286447166 JUVVYIUSYSGYLV-QGZVFWFLSA-N 435.554 0.666 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1300410499 NWTNUGWOMFNPFQ-QGZVFWFLSA-N 435.554 0.703 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1300671336 HVYGHSJGGUHZHH-INIZCTEOSA-N 441.554 0.002 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC(=O)N1C 1305147378 DBSIGLNSTGSORY-BBRMVZONSA-N 436.476 0.472 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358957711 YTNQAFUCLMLEOO-UZLBHIALSA-N 440.566 0.718 30 10 ICEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359202444 SOIWGYUPEZRVTP-INIZCTEOSA-N 429.525 0.513 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359299726 MDHTTZKCSFFGHN-OAHLLOKOSA-N 428.472 0.392 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1467576969 WFOBEJNHYXINQU-UHFFFAOYSA-N 435.893 0.729 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)CCC(=O)c2ccc(C)s2)CC1 1471450680 GTQKTDUATYEFCM-UHFFFAOYSA-N 439.559 0.981 30 10 ICEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1499943071 NBUKQGZTLGLMAK-VGOFRKELSA-N 437.504 0.515 30 10 ICEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1504693410 GMFAYBPNKIMRKB-UZLBHIALSA-N 431.518 0.839 30 10 ICEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1505115777 FNHTZENJDACEFP-PXNSSMCTSA-N 447.517 0.503 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1 1507763777 FTWVUIKZWQEFHK-RDTXWAMCSA-N 438.554 0.163 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1507983196 PLJUIICAYSWAAE-CYBMUJFWSA-N 427.556 0.636 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508147547 KXALNTAJZQQBCM-UHFFFAOYSA-N 442.611 0.951 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1539177674 ATPKMIHIFUOLSL-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539723005 VWYXECAMCALJTL-UHFFFAOYSA-N 440.570 0.579 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540874336 CLLAFQWDXIKIET-QFIPXVFZSA-N 442.568 0.743 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1541088578 JUQUEBAFKDRFHK-UHFFFAOYSA-N 425.493 0.814 30 10 ICEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1542392396 GQUWWTLDBYODCU-LPHOPBHVSA-N 449.512 0.805 30 10 ICEE CN(CC1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554245348 PABHPOMRPHZPNZ-ZJYNUGOYSA-N 443.508 0.618 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 1563829273 HYFPIWQOUMBZQH-FQEVSTJZSA-N 433.578 0.927 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1587989888 PYBBXOWNCXTXED-HZPDHXFCSA-N 433.538 0.455 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594812026 BOMPSJBFGYANCL-IAGOWNOFSA-N 441.554 0.114 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1594813625 VIVJJBIYJCBOLP-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595314263 LAHCDYNIOWSLNU-UHFFFAOYSA-N 426.481 0.686 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1638849116 VNBDBAZQKJJBPO-GOSISDBHSA-N 433.530 0.469 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C2)c(=O)nc1O 1640637122 SQJJSEJUPXEUJM-CVEARBPZSA-N 443.460 0.186 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1648155920 RNNPETCNKPEKIS-NQUFMGSDSA-N 437.518 0.365 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 1675745469 TXMXHOAHUAFRJM-LJQANCHMSA-N 434.518 0.704 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nn1 1683483134 PKINYNXAZXCPSC-UHFFFAOYSA-N 448.534 0.685 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1685772498 JOGCHSAIOPNRQZ-UHFFFAOYSA-N 436.534 0.444 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2n[nH]c(C)n2)CC1 1690150448 HXRXSOXXEPHINL-UHFFFAOYSA-N 433.520 0.899 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690669262 ZNRDNLSEGLAPNR-UHFFFAOYSA-N 432.492 0.574 30 10 ICEE COCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1698092252 NPQZTYDQXASSCB-ZJYNUGOYSA-N 429.525 0.839 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705565913 KRAOFIBEGZAVDS-SJORKVTESA-N 432.550 0.889 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705580043 BYGKSIMFRMOLFQ-BZSNNMDCSA-N 444.561 0.506 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1705903966 APJBNQLUPSRMGS-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1712647785 KCZNJJQBOFMEAC-LESCRADOSA-N 430.465 0.640 30 10 ICEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1712696428 AUBVAFQUEVQMJL-SJORKVTESA-N 428.518 0.966 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722692196 HVVPXPAIBKFKJM-AWEZNQCLSA-N 430.469 0.086 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1722728692 XCNRTDLMUCNVIG-KRWDZBQOSA-N 436.582 0.895 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1722729091 DYLRGCBTPASAQV-SFHVURJKSA-N 438.579 0.936 30 10 ICEE CCOCc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1729069244 FCJHXTUQELKRPL-HNENSFHCSA-N 429.481 0.152 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1OC 1730988978 JWROZDRASISTBX-YESZJQIVSA-N 439.476 0.655 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(C)(=O)=O)CC1 1740700524 VHILFFJIOQHWPH-UHFFFAOYSA-N 436.513 0.301 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749721446 KDCHJFYIAFNXFI-UHFFFAOYSA-N 440.570 0.370 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCOCC2)CC1 1760271923 RGHAPQAUMOZNQZ-UHFFFAOYSA-N 438.532 0.771 30 10 ICEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN([C@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1C#N 1854978815 ZVUISOUSROPIBW-MOPGFXCFSA-N 430.530 0.413 30 10 ICEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2nnnn2C)cc1=O 1870300845 XZGZEXIWOQAHKJ-UHFFFAOYSA-N 446.514 0.372 30 10 ICEE COCCN1CCCN(c2ccc(C#N)c(N3CCCN(CCOC)C(=O)C3)n2)CC1=O 436339930 FMYQRWCKGXQYMR-UHFFFAOYSA-N 444.536 0.323 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C 447780962 AVKJJIWVAISBRM-UHFFFAOYSA-N 437.525 0.678 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)C1=O 464273245 RJXOJGXMUSRZHT-UHFFFAOYSA-N 432.864 0.530 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 535229911 HZMAXIFWKFOVJS-BLMTVLTRSA-N 445.589 0.994 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561726868 LKGXLSLXMMUGQN-MSOLQXFVSA-N 433.534 0.772 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CCN1CCOCC1 567342175 LVBBQIGIIRLKPA-UHFFFAOYSA-N 446.960 0.453 30 10 ICEE O=C(CCCCCNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O 725392356 PHVWZJNQHXVYJN-UHFFFAOYSA-N 433.461 0.754 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CCN1C1CC1 732708541 TVOSDTLEMHHNNN-MSOLQXFVSA-N 446.529 0.777 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1CCN1CCOCC1 742142881 AXKOMQSRLONSGA-UHFFFAOYSA-N 446.479 0.913 30 10 ICEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 747833242 UPPWGNXMRCZCHS-DBPMHTNYSA-N 440.456 0.708 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C#N)cs2)c1=O 748646964 XSKBSGKGSBGTRJ-UHFFFAOYSA-N 447.563 0.760 30 10 ICEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 772275315 JQORKZXGXTYHED-UHFFFAOYSA-N 448.342 0.880 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C[C@H]3CCCO3)c2=O)cn1 772278658 MWKGKXDZYZUJNI-GOEBONIOSA-N 443.529 0.040 30 10 ICEE C#CCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774194494 GNEQJOTWSGEDEX-LJQANCHMSA-N 434.562 0.649 30 10 ICEE CCN(C[C@H](C)C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 919011448 DXSJUDPQPPDDFT-CYBMUJFWSA-N 439.538 0.979 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCCCC2 1286376573 LXKLXECHMNDVIR-HNNXBMFYSA-N 448.553 0.047 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1286386316 YJZZASDLJBVYDJ-DLBZAZTESA-N 437.566 0.523 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1291193999 MWEXDDZIRFPHJS-OYHNWAKOSA-N 437.504 0.874 30 10 ICEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1301425786 KPSRRNXPDMWKRJ-IBGZPJMESA-N 438.554 0.328 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1301568088 NQFHMZIBWFJKCD-CQSZACIVSA-N 440.570 0.464 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 1312709381 OOPSREYGNFQIDI-ZACQAIPSSA-N 438.554 0.175 30 10 ICEE CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1=O 1313916870 BMPAFSPJGGIFDU-ZDUSSCGKSA-N 435.510 0.460 30 10 ICEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CC1 1313920740 LYTYNGUBUJHDKF-QRVBRYPASA-N 435.573 0.757 30 10 ICEE CCOCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314362648 AMFVLIYIVQIMJG-IJYGLTAASA-N 431.497 0.446 30 10 ICEE CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1314643926 RVYREWGFFFEEGJ-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358961296 VZZYROBKXIMGAW-KBXCAEBGSA-N 434.547 0.230 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1358964402 YMGIQLMOXVWXGP-ROUUACIJSA-N 448.549 0.300 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359332760 GTCFJNQVYUHYPC-SJORKVTESA-N 425.555 0.735 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456063544 NGHGUJQAKRTCLX-HRAATJIYSA-N 440.504 0.972 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507845132 WRHMHWLVKKLVGT-LJQANCHMSA-N 448.568 0.356 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1507868261 GWDRFVSTKCIHFE-ZIAGYGMSSA-N 446.961 0.455 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508075628 YTEDLGKSUJSGHA-UHFFFAOYSA-N 441.536 0.466 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540875808 YMRTXRRXEZFPRP-HNNXBMFYSA-N 437.497 0.922 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541277948 USSXPLHNFRZBQA-IRXDYDNUSA-N 428.541 0.568 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 1556299153 GGWJTOIYQOFSMM-YTQUADARSA-N 433.578 0.900 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1558592435 ZSDDVSXLVHONCF-IAGOWNOFSA-N 437.518 0.962 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1565156650 NIFDEBOBPDNXBZ-CQSZACIVSA-N 440.478 0.658 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1587650650 DUKIZHQWELBNMM-MRXNPFEDSA-N 431.500 0.985 30 10 ICEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1588742994 WJQACTGUVKDMBF-UHFFFAOYSA-N 440.639 0.709 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1595536859 HKWBNAFDQLRCQC-HNNXBMFYSA-N 425.497 0.402 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n1CCO 1614869254 MYKJAIHTHPZQOA-UHFFFAOYSA-N 445.907 0.180 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 1636304204 JFNLJANLFAXYBO-CGTJXYLNSA-N 438.546 0.960 30 10 ICEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639822172 URSRIFKHNVNSQQ-ABSDTBQOSA-N 435.502 0.715 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1640562578 GAHMWIBJBCYATH-ZDUSSCGKSA-N 431.522 0.815 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689990068 LFOVEUGGUTVUNY-FUHWJXTLSA-N 432.550 0.889 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1692538513 KCYPOCVDIKDXHV-HOTGVXAUSA-N 428.541 0.508 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCCC2)CC1 1705632768 BAGWTFFQBAXISZ-ZWKOTPCHSA-N 437.614 0.375 30 10 ICEE COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1711476157 NOGMFDVYRJBZOE-UONOGXRCSA-N 448.505 0.970 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1722384377 PXJQSFVPZGDWDA-INIZCTEOSA-N 448.936 0.781 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722692387 KNBPXLXDDFUHIS-INIZCTEOSA-N 446.556 0.301 30 10 ICEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1730700591 QQLPMMALGCEFHM-UHFFFAOYSA-N 437.504 0.780 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740876181 FCZNXEHUKXUJIB-CABCVRRESA-N 440.526 0.218 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1748293240 DQMLYJRPJDVNEY-KRWDZBQOSA-N 445.549 0.671 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749210412 IWELNLKIJCXHSO-UHFFFAOYSA-N 433.513 0.530 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1760187676 LHCOFIMMPFDSGC-MJQMVNBJSA-N 447.561 0.837 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1760225733 XGFXAKULIZJOGR-IAGOWNOFSA-N 426.587 0.705 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1760280501 GBMUUWRGPRPVHM-CVEARBPZSA-N 425.580 0.652 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760470783 CLPMYOZWJHCCCS-KBPBESRZSA-N 446.599 0.325 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1760554758 LYQAACKVPXYPJL-QGZVFWFLSA-N 449.533 0.964 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1761500181 GVTLADYJPSVHIF-NBQZKYEYSA-N 446.533 0.451 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(F)CCC2)C1 1771362788 KBAKOYKUMSCJTE-HUUCEWRRSA-N 442.517 0.622 30 10 ICEE CCOc1ccc(CC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856850279 MLNTVWGZQXTGIE-QGZVFWFLSA-N 434.518 0.226 30 10 ICEE CCNC(=O)N1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472155426 KELOLGHTUSJGSU-KRWDZBQOSA-N 433.534 0.879 30 10 ICEE Nc1ncnc2c1nc(N/N=C/c1ccnc3ccccc13)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 504694909 MXYYYAAHYYMFPZ-WBGPOXFISA-N 436.432 0.014 30 10 ICEE CCCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)n1 540077083 ISRSAQHZEGGRFK-UHFFFAOYSA-N 444.517 0.716 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 558995908 RSIHXBXHMFSNQB-INIZCTEOSA-N 431.497 0.999 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 574685198 QPCZRSGRSSIHGX-SFHVURJKSA-N 448.549 0.183 30 10 ICEE CCOC(=O)[C@@H]1CCCN(C(=O)C(/C=C2/C(=O)ONN2C)=NC(=O)c2ccccc2)C1 585673816 UTZOYNJPFXBOEG-NSMYFNPASA-N 428.445 0.862 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758077003 KYEYRJASONTHEM-UHFFFAOYSA-N 430.493 0.249 30 10 ICEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 777311012 ZAIPWJVZOTYRKK-QGZVFWFLSA-N 437.543 0.516 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cn(C)nn2)c1 783347098 YCYRBKYMGAYNLZ-HAVVHWLPSA-N 447.521 0.663 30 10 ICEE Cn1cc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(=O)n(C)c1=O 918536018 OPBUDMORIXREPO-XQRVVYSFSA-N 442.375 0.493 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1132668612 YDASWGSNHQZQSA-CQSZACIVSA-N 435.458 0.539 30 10 ICEE CCOC(=O)CON=C(C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc[nH]n1 1149573350 BZSLRONLGORKNX-QFIPXVFZSA-N 443.504 0.789 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1158522295 BFLRWSMCADPEND-GFCCVEGCSA-N 426.495 0.069 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCc4ncc(Br)n4C3)C2)c(=O)nc1O 1256430096 XOOASWIMCNHOTO-JTQLQIEISA-N 434.254 0.361 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286787831 KCYLRLQBWGCXJN-OAHLLOKOSA-N 428.497 0.061 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1301578880 JRSPWFLXHMXYHP-UHFFFAOYSA-N 435.554 0.632 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1303488460 AWJVHOHTOXZUML-LJQANCHMSA-N 440.570 0.998 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1316137191 DCTJVBKQCAMIEG-MODMUFLJSA-N 443.552 0.914 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358948427 CDVVHHZLESYWDT-TXPKVOOTSA-N 439.538 0.019 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 1358967478 LBYWBQMXHPKHPR-QGZVFWFLSA-N 437.566 0.306 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 1459456781 LOYVEZANGNFVMZ-KRWDZBQOSA-N 429.521 0.475 30 10 ICEE COCC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1464215367 NBUOFWGGZRCMOI-KRWDZBQOSA-N 427.461 0.517 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1469730892 ZMHWRLSJARKNGG-KBPBESRZSA-N 425.486 0.218 30 10 ICEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 1473618388 HVMJLMXDGZBKAY-FQEVSTJZSA-N 430.530 0.950 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1 1475861655 CCBHPGVXFQIXTH-UHFFFAOYSA-N 448.593 0.754 30 10 ICEE C#CCN1CCC(NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 1476290038 UPPSFMRIEBPHAG-UHFFFAOYSA-N 426.477 0.399 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1507615797 BHIVRYQXFACMIW-KRWDZBQOSA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507637742 MTGXEDQMMFNZGG-HOTGVXAUSA-N 444.579 0.409 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507723520 LDAFXNISTOAJGS-CVEARBPZSA-N 439.486 0.869 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1521069647 QEUOXNIHVWBADR-IERDGZPVSA-N 441.467 0.835 30 10 ICEE COC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1538308482 HUSFIHIFWPPKFI-KSSFIOAISA-N 427.523 0.799 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1538539706 LECDRIFWQGLMLM-ZQIUZPCESA-N 443.572 0.688 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1539259798 HFGJDNUCJIQCBK-UHFFFAOYSA-N 425.474 0.216 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1539267304 YJNGJDOYMHOQTB-IBGZPJMESA-N 443.529 0.741 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539490040 RATOVMCVCNWTCH-UHFFFAOYSA-N 447.609 0.527 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1568701780 XAXSVVFAIXZBOZ-IBGZPJMESA-N 444.557 0.494 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1595796643 AWKBZGYFGBEGAK-CABCVRRESA-N 432.568 0.396 30 10 ICEE CCN1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1615828974 NQGHIBLAZLTFTN-CZIZESTLSA-N 438.492 0.858 30 10 ICEE CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1618930225 AISLJMHVISCBMO-GJZGRUSLSA-N 448.553 0.516 30 10 ICEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N[C@H](C#N)CO)c1=O 1624091037 OPXQVLOTNLIVDA-LLVKDONJSA-N 429.271 0.750 30 10 ICEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CCOCC1 1631534934 PPGYHEGNPLCPRL-IBGZPJMESA-N 434.562 0.850 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 1632944127 PYWDBASRGKWAQB-HNNXBMFYSA-N 425.474 0.045 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)CC1 1632960840 NCTXMQHWQUYNLY-UHFFFAOYSA-N 446.485 0.682 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CCc4cnccn4)CC3)C2=O)cc1 1643281101 PFAVTBASOLNPKE-HXUWFJFHSA-N 447.499 0.940 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1653807036 NXHGSGIIPGCFQP-CQSZACIVSA-N 441.531 0.031 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 1659204310 WKFDIRNXISXRRK-UHFFFAOYSA-N 438.510 0.885 30 10 ICEE C#CCC1(O)CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1686716318 UQEDKIJSABQRFL-UHFFFAOYSA-N 435.502 0.391 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1689892684 LDULXINGGSOJTE-HZPDHXFCSA-N 438.554 0.081 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690644315 DJJBVNDRIYVJOO-GOEBONIOSA-N 438.554 0.292 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1698492873 GRLYXNIXFRMYEE-DYVFJYSZSA-N 438.897 0.272 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1705534371 GULASPFAPGEAHX-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1705567202 UDHXBWBIFYUMRD-OAHLLOKOSA-N 431.522 0.325 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722358293 FVJXHMKUTLADSE-IKGGRYGDSA-N 437.566 0.716 30 10 ICEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722523380 QLERFAGSMZUASF-QGZVFWFLSA-N 432.525 0.256 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1740986518 ZLMDVMKRDJDXLV-IBGZPJMESA-N 439.538 0.111 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1741888440 QZIVWNNHNIAYCT-GDBMZVCRSA-N 446.533 0.877 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1746732832 BVHGFCRCQYQLFS-UWJYYQICSA-N 428.493 0.714 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748808738 MPMRYVKQVGOWAI-PKOBYXMFSA-N 446.529 0.996 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748825182 WISLCFHITWXUSN-HRCADAONSA-N 442.563 0.191 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749413774 YDVFWWZSVXPCSZ-RHSMWYFYSA-N 431.584 0.870 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749677128 OLNQDZYQVKLKOD-UHFFFAOYSA-N 445.568 0.887 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760174264 FKMAKCDGEUMKRM-UONOGXRCSA-N 435.472 0.513 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1760260437 SEWGDSKJBKNJES-GOSISDBHSA-N 442.545 0.436 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1760295940 WYSNBLJROVKGRZ-FXAWDEMLSA-N 447.565 0.693 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1)C1CC1 1760476961 LRQRBXCAWCVFMJ-INIZCTEOSA-N 441.554 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760555519 HFJHPAXMPDOMFF-ZWKOTPCHSA-N 439.582 0.541 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1770202084 MRBHJGGQWAQEFT-LDDOYCOJSA-N 427.502 0.879 30 10 ICEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1=O 1771126426 DMWJKLWINQOJKS-AEFFLSMTSA-N 437.504 0.623 30 10 ICEE Cn1c(N2CCN(C(=O)c3nc(-c4ccccc4)ccc3C#N)CC2)cc(=O)n(C)c1=O 1851789665 VMSSVLGXFRJMFL-UHFFFAOYSA-N 430.468 0.980 30 10 ICEE CS(=O)(=O)c1ccc(CCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855029277 PMXUXSMYNDWIHT-SFHVURJKSA-N 432.546 0.681 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255616164 NKLYCARCFZEUHL-UHFFFAOYSA-N 436.318 0.811 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631094 UBIBEUPOOCBQPI-HXUWFJFHSA-N 436.318 0.811 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256064005 XZAICWTYRAGYLV-QWHCGFSZSA-N 434.302 0.798 30 10 ICEE O=C(COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)N[C@@H](CO)C(=O)O 33577069 BSQKICGEPMFKJH-BTWRWUKRSA-N 427.365 0.972 30 10 ICEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 460799696 BMAHPBNPCLOGOB-UHFFFAOYSA-N 434.435 1.269 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 460800425 CEEYOEDGLGYGQN-INIZCTEOSA-N 440.570 0.636 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505337168 ZFRCXDWQPGSYNW-GOSISDBHSA-N 438.488 0.210 30 10 ICEE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1C#N 579721117 XZRCCZCNMBLIMI-LBPRGKRZSA-N 429.296 0.336 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CCN1CCOCC1 760378714 TVINMQBZCAPICX-UHFFFAOYSA-N 427.555 0.993 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 763437272 NQGOYDGKXMKMRF-MRXNPFEDSA-N 428.558 0.699 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 770650134 KTCTZZQYPQMETF-UHFFFAOYSA-N 441.984 0.414 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)C1=O 1133510549 CXCXBWICEGHICD-YZGUTLMUSA-N 435.477 0.749 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCCN3CCOCC3)C2)C1 1143974782 ZDBCPTZZYXZELY-JQHMZKTJSA-N 449.552 0.338 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](CN3CCOCC3)C2)s1 1169001606 FAXYCGBGHJSYIT-HNNXBMFYSA-N 429.564 0.315 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286381875 OWCHALSDBQDBSR-QGZVFWFLSA-N 447.565 0.789 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cc[nH]n1 1300286563 KPFQQMPTCNKJQZ-CQSZACIVSA-N 431.464 0.532 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1300630580 FEWJJKZSZBRTES-GOSISDBHSA-N 449.533 0.833 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(Cc3ccc(F)cc3)c2CC)CC1 1302924227 JMIDMKNDSVNFKB-UHFFFAOYSA-N 434.497 0.253 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1358968945 CMYVZAQQMDFZAL-CQSZACIVSA-N 429.506 0.500 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CC1 1359036169 OZMGATNYWFWFOR-INIZCTEOSA-N 436.582 0.098 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359044039 SGRLMYAUPMFOMT-IEBWSBKVSA-N 439.520 0.752 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 1473347919 QSCVSBBIROZXLW-UHFFFAOYSA-N 444.941 0.771 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1508040521 YHMWJSVQQUIMKZ-KRWDZBQOSA-N 433.534 0.966 30 10 ICEE CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1515507188 HFJLCBJKESFVQP-BBWFWOEESA-N 441.602 0.937 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539490462 VWBSKTLKFOGXPY-INIZCTEOSA-N 431.566 0.921 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1539516941 GKISTQCZZKOHJA-GJZGRUSLSA-N 445.636 0.919 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1548314584 FKSYSVFNSXHZJR-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1557385927 MOSDFLWBUTZWBM-MOPGFXCFSA-N 426.448 0.792 30 10 ICEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1558102072 CDWSCARUTGRRMP-UHFFFAOYSA-N 433.530 0.530 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)CC1 1560162074 XFKWNJAHAAOQEJ-RBUKOAKNSA-N 438.525 0.016 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588060050 YMNPOHDAFRLKNW-GOSISDBHSA-N 445.520 0.937 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnnn2C)CC1 1588899855 YNAJCOGQNZGGQY-UHFFFAOYSA-N 449.475 0.996 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1589216134 KPJKXMKARQEGSY-FXAWDEMLSA-N 447.565 0.808 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1595477786 ZPACFIDGUJRPSF-LSDHHAIUSA-N 428.559 0.443 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1596750711 CTOXHVQDROPZPY-HKUYNNGSSA-N 437.504 0.970 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1623498983 LNZWBZPVBLPADX-YKSBVNFPSA-N 438.528 0.929 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCC(S(C)(=O)=O)CC1 1634896824 ONRJWKKADHYNGW-IUDNXUCKSA-N 427.548 0.945 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 1636837679 IGPVLCXAZHEBSK-UHFFFAOYSA-N 427.548 0.578 30 10 ICEE N#C[C@]12CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)C[C@H]1CS(=O)(=O)C2 1639817639 UUNMIMXCCNJNAN-BLLLJJGKSA-N 431.923 0.405 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1639962069 LDMSLLICMQWSFH-IBGZPJMESA-N 444.513 0.730 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1644285029 FYNSEBCUSMABJP-HOTGVXAUSA-N 428.555 0.634 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2C(=O)NC(C)(C)C2=O)s1 1653790479 ZIRUECWNROZLLN-UHFFFAOYSA-N 428.536 0.592 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 1654309340 XLTXBIHFVOTQJR-UHFFFAOYSA-N 446.451 0.633 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1673397811 ARHQATQUDBKRCP-KBXCAEBGSA-N 438.531 0.895 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)C1CCOCC1 1674597482 VPCHKEZBCNICBH-LJQANCHMSA-N 433.530 0.986 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1690700658 VUNYBMCRRCQAQO-DLBZAZTESA-N 440.566 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1690724794 WPKYMKIHBOKTEL-UHFFFAOYSA-N 438.598 0.795 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691181619 WXFCAVQCGXNTSA-MGPWXQLLSA-N 442.524 0.607 30 10 ICEE CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1695044004 APZXNUYSQNJGKS-VKJFTORMSA-N 428.559 0.758 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1705716610 PPCJITWAKSLUJI-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705900450 DSZSYIVNMDVYBT-UHFFFAOYSA-N 425.472 0.842 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)C1 1712877172 CTLMFMSXRIKNIC-NRFANRHFSA-N 441.467 0.755 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1712883597 SVJGUYZYJJBHEO-MSOLQXFVSA-N 431.541 0.480 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCn2cc(CO)nn2)CC1 1722444727 MZFNBTNUAQGTOV-MRXNPFEDSA-N 428.541 0.932 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1722490785 DCQWYTJODRGTKZ-JJXSEGSLSA-N 440.570 0.584 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1740590094 FJANXRVKWXVPCR-SJORKVTESA-N 448.553 0.457 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1741636536 FHDYZVUCTRFOBH-UHFFFAOYSA-N 449.537 0.789 30 10 ICEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1747433481 WWDBZCIENXIMFR-UHFFFAOYSA-N 448.553 0.980 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750021063 NIYNPQCTPAXKBU-OSCRUYLVSA-N 443.508 0.413 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760259466 BZVSBDBMHJCBFC-OALUTQOASA-N 429.569 0.485 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1760315975 KWPSIPBNVGGBMC-BMFZPTHFSA-N 440.570 0.571 30 10 ICEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1760344974 XCFDZVNXAPQVRX-QGZVFWFLSA-N 428.541 0.974 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760450001 BHMMPKIPANNSIX-QLFBSQMISA-N 426.495 0.887 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1760697165 XGLRVRJVRVXLBB-BZUAXINKSA-N 442.542 0.012 30 10 ICEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1760844398 OFDQGTTUAIKDCU-OAHLLOKOSA-N 426.481 0.816 30 10 ICEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3=O)CC2)cc1 1855449227 XQNNGNQSUVAXAO-VQIMIIECSA-N 431.514 0.964 30 10 ICEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2CC(O)C2)n1 1871705247 WCQORECEBNRCRY-UHFFFAOYSA-N 440.552 0.888 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2317602410 FOGTWMYRAHOWNI-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 508917358 JGKLFFYBPIQKGM-INIZCTEOSA-N 448.553 0.222 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N(CC)CC(=O)N[C@H]3CCS(=O)(=O)C3)cc2C1=O 512624211 JCUPGGZPKUWKJR-AWEZNQCLSA-N 433.486 0.234 30 10 ICEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549322115 MQQVWHAQXIAJMQ-UHFFFAOYSA-N 447.584 0.753 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C[C@H]1CCCO1 611492427 MMLATLWJYUWCHR-CYBMUJFWSA-N 432.433 0.385 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCC[C@@H]3C(=O)OCC)cc2C1=O 735772363 TZZWHJBUWUUNDV-OAHLLOKOSA-N 435.458 0.471 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CCN1CCOCC1 758568257 ZRNSLAYFGWRDKZ-UHFFFAOYSA-N 436.541 0.264 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)CN1CCOCC1 773384956 SZBFZLTUBCUQMP-INIZCTEOSA-N 438.550 0.095 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 793982724 KFTRTLRLOUBDCL-FQEVSTJZSA-N 431.493 0.107 30 10 ICEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1134429215 SNMQHAITDYNLOC-QIIPPGSGSA-N 425.532 0.437 30 10 ICEE C=CCOC[C@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 1155780189 ZBIYSRBCIHGQMD-KRWDZBQOSA-N 426.429 0.690 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CCCS2(=O)=O)c1 1278855652 OBTMBZCXCQSUSO-UHFFFAOYSA-N 448.526 0.899 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1286430898 KTEIKDLKAVLNBA-FHWLQOOXSA-N 449.577 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1286820577 NPBPVQVOTHLNQE-CZUORRHYSA-N 431.515 0.223 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286822900 IXBBJUHWNVPXBM-HXUWFJFHSA-N 447.565 0.457 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCNC3=O)nnc12 1306897534 QRGPCSBOBZTWPB-UHFFFAOYSA-N 427.490 0.464 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1314136438 CWIRMVMDNHNENV-KXBFYZLASA-N 439.538 0.484 30 10 ICEE CO[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315708445 CJRHIQIAKKSQJU-DUPDJQDOSA-N 445.524 0.804 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358964149 URFHOZJYPRPGJV-NVXWUHKLSA-N 433.538 0.170 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1359298800 MLTABFCNVPMIND-AWEZNQCLSA-N 443.508 0.803 30 10 ICEE C#CCN(c1nnc(CC)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507633051 CIDHVOJRQNPWAN-KRWDZBQOSA-N 445.545 0.906 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1508409665 CCFKKXODECQOEP-OLZOCXBDSA-N 432.572 0.309 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539132010 BCPWUVUGXZWAGX-OAHLLOKOSA-N 425.497 0.346 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1539260613 ROEDAVNDYOJHSS-UHFFFAOYSA-N 446.533 0.750 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 1539452655 XFLRVUGQGZLLNR-OALUTQOASA-N 448.593 0.723 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 1539454074 WBRJUGUIVDBRBD-UHFFFAOYSA-N 436.969 0.827 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 1546286391 CNGZFHYYQXIXCP-INIZCTEOSA-N 441.941 0.410 30 10 ICEE COCCNC(=O)[C@H]1CN(S(C)(=O)=O)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368034 KDIMOTCRNMLOQW-OAHLLOKOSA-N 434.440 0.790 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588045692 OTXRFMJIZSYEHZ-RZQQEMMASA-N 431.518 0.507 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588053505 FHDDYMLZKSOCLW-IRXDYDNUSA-N 434.566 0.342 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOCC1 1595796981 CWKZOZVDFPGBJW-UHFFFAOYSA-N 447.565 0.890 30 10 ICEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1619782766 IDXZRMAYTWCZFY-CABCVRRESA-N 426.543 0.824 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1619961629 YEDNDRLFRHJAGN-UHFFFAOYSA-N 449.519 0.973 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1620352248 NWBIAEQXESSDMM-SJLPKXTDSA-N 426.477 0.846 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)CC1 1627015735 ZKSWTUMLROWYRQ-UHFFFAOYSA-N 425.489 0.991 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1689986699 VMVRTZFKEXBRER-MRXNPFEDSA-N 426.506 0.649 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689988315 MQTABSLCGBLUPG-HZPDHXFCSA-N 444.517 0.308 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn(C2COC2)nn1 1690056220 KFROEJIDCSJVAX-LPHOPBHVSA-N 425.493 0.676 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690666036 WZQBSNNSIXWJJD-UHFFFAOYSA-N 440.895 0.952 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690668609 BREJLIGDTXZWFJ-QGZVFWFLSA-N 425.541 0.254 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1705583193 SAMYIHFVHISHMH-LJQANCHMSA-N 439.541 0.991 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)[C@H](C)CC)CC1 1705633059 IJZXWGJCPFXQJQ-IAGOWNOFSA-N 425.603 0.374 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1722382606 BAHWFZOGUGDFOD-KRWDZBQOSA-N 435.550 0.501 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1740640303 KHTKLUHWLMKXLR-ZWKOTPCHSA-N 434.566 0.168 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748808559 LCTPXDYXTUZVQB-MOPGFXCFSA-N 441.513 0.859 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748820140 ZPYKCIULZKZMSE-CQGGRAHPSA-N 447.586 0.802 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCCC)CC1 1748987385 WFORQBFIZIODPL-UHFFFAOYSA-N 434.504 0.875 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749677761 JXJGCBMONRSZRX-UHFFFAOYSA-N 446.556 0.333 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750021062 NIYNPQCTPAXKBU-MXLIYFDZSA-N 443.508 0.413 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760530525 RKYUAWJOLUKUKE-ROWPZFDLSA-N 435.525 0.689 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCO 1761498727 INRJPAOZXOPRLI-ZBFHGGJFSA-N 425.559 0.227 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC(N)=O 1772660247 ZSBPORBGZAAGND-CYBMUJFWSA-N 435.506 0.975 30 10 ICEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C1=O)CC2 1856549151 WKPVQKWGKCHZSH-SJLPKXTDSA-N 434.562 0.944 30 10 ICEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870521899 SEIQZDMBFZZDCQ-UHFFFAOYSA-N 441.532 0.893 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1C[C@H]2CCO[C@]2(C#N)C1)NC(=O)OCc1ccccc1 2286040199 JHCBYFIYBUYKFO-GPMSIDNRSA-N 437.474 0.399 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)CC1 79049003 HKWLBOKCERTFSP-UHFFFAOYSA-N 429.540 0.865 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc(COC)no4)CC3)cc2C1=O 444435812 KYEHOQKYQQEZHD-UHFFFAOYSA-N 425.445 0.956 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 477588285 FTPUCVIPBSAMIY-LJQANCHMSA-N 440.591 0.698 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 596940190 HRCJLLNYWVORCD-UHFFFAOYSA-N 437.548 0.624 30 10 ICEE COC(=O)CN(CC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 609992240 INOVJWLJRMHCGT-UHFFFAOYSA-N 446.279 0.328 30 10 ICEE C#CCN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 731213776 RTBDAJZNNPHKKK-HZPDHXFCSA-N 444.600 0.386 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 810645833 HXKQOVXDCMDEGS-LLVKDONJSA-N 439.342 0.921 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)CS(C)(=O)=O 1157836995 SRTIGKPNRCZDEP-NVXWUHKLSA-N 437.518 0.914 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 1227630659 BWJPUTSIAPPXCL-GFCCVEGCSA-N 430.328 0.700 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1286772877 FTYHEZJAHGAQPT-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286783321 JWIOVSYOAUXTIV-HNNXBMFYSA-N 449.533 0.888 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)C1 1286805377 SARHUYFTQHLMCF-PGRDOPGGSA-N 449.552 0.959 30 10 ICEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286835736 BBOLNKVHJBFPLE-MRXNPFEDSA-N 434.566 0.976 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1289437373 PHLVZOVXAQBXHC-MAUKXSAKSA-N 425.532 0.727 30 10 ICEE CO[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1299816892 FNMYNRORRHUDED-LIRRHRJNSA-N 432.506 0.804 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1300806587 ZJSFEEMTNLICMP-CSODHUTKSA-N 449.577 0.667 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300988540 FPORIBIQEMTHPB-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1301897903 ADNIXUVOSGGJDT-RBUKOAKNSA-N 426.477 0.573 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 1302923909 DZCFURSOOFFIIE-UHFFFAOYSA-N 438.307 0.618 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1314541287 ALOHNHNYXIVLEH-HZPDHXFCSA-N 426.543 0.920 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CC1 1359038243 ORRCVDWDFMXAFT-UHFFFAOYSA-N 442.612 0.182 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359055164 USLYSKMXMYGNHY-UHFFFAOYSA-N 440.577 0.846 30 10 ICEE C#CCSCCn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359055347 BGYDCGUOHDMEGW-UHFFFAOYSA-N 444.565 0.379 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@@H]2C)C1 1359321535 HRARGKALXYVLBL-RCCFBDPRSA-N 439.582 0.682 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)c1 1441740852 WBADNBGKJFPDHE-QOBDKFOYSA-N 428.536 0.910 30 10 ICEE C#CC1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 1461131804 FMOKWPCQTVNYKH-UHFFFAOYSA-N 447.536 0.819 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]2CCN(O)C2=O)cc1 1468374004 HCBNDPLNWKISPG-LSDHHAIUSA-N 431.536 0.592 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1539015660 QLQIUFHVZCZXBN-HRCADAONSA-N 445.536 0.994 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1S(C)(=O)=O 1539650436 QZKGRHVRSFOYFJ-HUUCEWRRSA-N 448.615 0.715 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540908121 CEDZEXXKBHDJLF-SJORKVTESA-N 427.571 0.572 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCc3cnccn3)CC2)cc1 1558056036 HHVGWURDALOQSA-UHFFFAOYSA-N 428.518 0.669 30 10 ICEE CNC(=O)NC[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1558056360 MFVVIDPJPWBSFQ-OAHLLOKOSA-N 436.310 0.913 30 10 ICEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCCn1cc(C#N)c(O)nc1=O 1585295147 BUPKIXVPRDISKR-UHFFFAOYSA-N 435.387 0.196 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1589215752 DILJRXHHPSPFNA-QFBILLFUSA-N 437.566 0.908 30 10 ICEE N#Cc1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c2sccc12 1612067328 RUDFIGTVHRYXSV-ZDUSSCGKSA-N 426.545 0.807 30 10 ICEE C=CCN1CC[C@H](N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O 1616197706 BOCQYDBEBOZMJK-SFHVURJKSA-N 435.550 0.011 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1cccc(Br)c1 1631858242 KGZMAHKBHFQLTC-GFCCVEGCSA-N 425.264 0.999 30 10 ICEE CC(C)(C)OC(=O)NC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCOCC1 1636971030 QTDKPFDFBXIAOI-KSSFIOAISA-N 442.538 0.640 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCN(CCC#N)CC2)cc1C 1642919008 FJRMZGRLQNADAD-GOSISDBHSA-N 435.550 0.274 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1644636612 HPNPRYRLRWDHFR-KXBFYZLASA-N 426.539 0.326 30 10 ICEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1648155707 NWPXHVCWIZWBBI-RYGJVYDSSA-N 430.486 0.159 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1649010828 ASUZIPRXOJMOPQ-UHFFFAOYSA-N 429.520 0.670 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cnn(C)c1I 1670201234 YMLGCCRSLGETAT-UHFFFAOYSA-N 439.275 0.990 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1696331762 JJJYHUFBSBIJRJ-KKSFZXQISA-N 427.509 0.948 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705559527 BYQMQALDWAGFQL-FXUDXRNXSA-N 443.595 0.732 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1705562999 ORUSYRVGCWWCSY-HNNXBMFYSA-N 446.924 0.912 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1705909470 XYMLSMNGOVPXBO-VQIMIIECSA-N 448.568 0.970 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1705909504 ZGTXSESXYXYVOG-SUMWQHHRSA-N 433.431 1.000 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705932113 LUWLRBXUXCEHID-UHFFFAOYSA-N 449.581 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705938216 QKFPIWOZNKRFJO-KRWDZBQOSA-N 447.565 0.178 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1711419592 HXLKRYFXHLUSLL-UHFFFAOYSA-N 433.538 0.134 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722281263 IFLFTHKDSNHJDE-SJORKVTESA-N 449.519 0.874 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722437261 BOMKHIWKYUBMNB-XDOYNYLZSA-N 446.515 0.930 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722458446 JUXBRZNYXCZQPG-CYBMUJFWSA-N 437.547 0.996 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C 1730749962 FXVNTAYAYDZPDT-KRWDZBQOSA-N 425.493 0.842 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1740685329 MAJGQSNWUDBVLU-INIZCTEOSA-N 426.539 0.545 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1740964741 HOALCVODXZBUQL-ORYQWCPZSA-N 435.525 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1740992848 UTQJKZTVDXLHCU-HZPDHXFCSA-N 445.611 0.311 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749755866 NDYKZLURQCVLQB-HZPDHXFCSA-N 443.595 0.441 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCOCC3)CC2)c1C#N 1751828033 QDBNZXYFTPMHJT-UHFFFAOYSA-N 427.557 0.939 30 10 ICEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760135627 CMKKWNXAEBAYHC-UHFFFAOYSA-N 449.519 0.610 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760137129 OWVLHBGVXSAABX-VFNWGFHPSA-N 427.509 0.847 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)ccc2n(C)c1=O 1890173771 IORIJVAMPZNELU-AWEZNQCLSA-N 441.469 0.346 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2303951044 QNDKTILVUOZLAP-BTTYYORXSA-N 426.319 0.785 30 10 ICEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 505141357 HFJQEKLQVNSVNR-SJORKVTESA-N 431.514 0.964 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1ccc(F)cc1 549935531 DSMZMFBPARDKBT-UHFFFAOYSA-N 441.488 0.520 30 10 ICEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586860446 GJRKUYXVWPQJTD-INIZCTEOSA-N 440.497 0.213 30 10 ICEE CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 619851382 RQLTUEDQDVOJFA-SFHVURJKSA-N 445.549 0.924 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671039 BRBCKZSWUASZCE-INIZCTEOSA-N 437.525 0.766 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cn1 734601867 NDMJXXLIRPSFIK-UHFFFAOYSA-N 444.469 0.447 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749861371 ATEJDDBQGJLMNG-HNNXBMFYSA-N 429.546 0.580 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1286376038 DIKVCKYTLYIDQY-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286389670 OJHSKSLLGAIBMZ-IKGGRYGDSA-N 434.566 0.196 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1286474381 IMAAEUXPSUXNQR-UHFFFAOYSA-N 434.504 0.862 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(C)(=O)=O 1358880246 HYFOXNSIEXUYBQ-AWEZNQCLSA-N 429.510 0.318 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358962228 MKOTYYRTMSDFSG-UONOGXRCSA-N 449.562 0.259 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1358979628 SJVUQAWAPSJQGX-GOSISDBHSA-N 431.493 0.871 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1359009899 BJJOHFIURLSOSB-JKSUJKDBSA-N 425.555 0.886 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359302762 SJZILYOTSZZGJK-OAHLLOKOSA-N 430.538 0.492 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cnnn1C 1360237818 BQECFGCTUGTKKT-UHFFFAOYSA-N 434.508 0.791 30 10 ICEE Cn1[nH]c([C@H]2CCCN2CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc1=N 1460005515 VVCSUHQSGMTCGR-QZTJIDSGSA-N 426.500 0.913 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637182 IILSPCVWOROXGG-RCCFBDPRSA-N 437.566 0.477 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507651463 ASOPVDJTYWBQQK-SFTDATJTSA-N 432.528 0.917 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1508095640 YYLQANQXJMDRKI-HNNXBMFYSA-N 428.493 0.870 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1508374655 PBMNHQCAFVTOIE-DENIHFKCSA-N 440.504 0.964 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1517021829 HRKNWKSOMHKPSV-UHFFFAOYSA-N 431.522 0.410 30 10 ICEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539120241 SXSRHGCBRLUQDO-ZWKOTPCHSA-N 437.566 0.826 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1539264947 ADXKCWRXTXSQDT-OAHLLOKOSA-N 427.477 0.729 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 1539431361 RFDYCBYDWIJXFS-ZDUSSCGKSA-N 438.583 0.046 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1539436464 TUVVPLCPIRJYPT-HSZRJFAPSA-N 440.548 0.784 30 10 ICEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539599849 GMLRVJQKZQAYQU-AWEZNQCLSA-N 446.309 0.320 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540868306 ZUXNTPNRSVDQCJ-KRWDZBQOSA-N 438.492 0.409 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1540875667 UIBHMUCFZBBRPV-UHFFFAOYSA-N 435.506 0.403 30 10 ICEE CC(C)Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541455318 UIBFCIBQCZIUMN-CILBIJLJSA-N 427.509 0.719 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2=O)cc1 1556171768 DJJSDHUHCICDKC-IRXDYDNUSA-N 425.420 0.495 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 1558075001 MMLKDFOAMNDJLW-UHFFFAOYSA-N 443.316 0.800 30 10 ICEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1558141089 ZZABBYBQQLOJCJ-CQSZACIVSA-N 436.914 0.605 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1587562523 QHGXPEHXTRLYDD-HUUCEWRRSA-N 428.522 0.975 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1587640167 PLOSNQJYCAAHHY-RHSMWYFYSA-N 433.538 0.410 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1588384724 ABOMVXXWQJAGHZ-OAHLLOKOSA-N 440.570 0.375 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595838320 OUYWYHGUXLRCCE-QLFBSQMISA-N 425.511 0.665 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 1631407011 SNBWWMYIFWKDTG-UHFFFAOYSA-N 431.449 0.579 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 1644281791 LPRJVHQAWPWQKH-SFHVURJKSA-N 434.518 0.399 30 10 ICEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 1663556032 PUMMCUCXNYTJJP-UHFFFAOYSA-N 441.535 0.354 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(CO)nn1 1690206520 SXRLOFVJZMYFSJ-HNAYVOBHSA-N 433.538 0.346 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNS(C)(=O)=O)CC1 1690397019 SRUSXUOZZKEWIM-CYBMUJFWSA-N 434.588 0.230 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1690660216 BPCHZWHZKFFNPU-ZFWWWQNUSA-N 438.510 0.361 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC1CC1 1710734493 FADMKXAFJJFAMZ-HNNXBMFYSA-N 439.524 0.718 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1722738406 ITGLAQPVZOXGNS-HUUCEWRRSA-N 431.584 0.755 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1740685542 IDASUIQJNKKECC-MRXNPFEDSA-N 447.565 0.632 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1740689158 QFDOXAQCVHSFFQ-UHFFFAOYSA-N 437.548 0.830 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740710550 ZBEPKOVPEFCCLQ-MRXNPFEDSA-N 434.566 0.610 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1740960092 KYKZCMGLPCSMRO-KRWDZBQOSA-N 428.518 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749729835 UBQPQHTYHJMMKO-UHFFFAOYSA-N 447.565 0.151 30 10 ICEE CCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1767699691 IPEYAPIJJSVGLL-UHHPSXQGSA-N 445.524 0.948 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1770051903 PZNNZULTIFFTHD-OAGGEKHMSA-N 427.527 0.556 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCCC2)C1 1771360673 DVZMYHFKPCWSTD-INIZCTEOSA-N 438.554 0.656 30 10 ICEE C=CCN1C[C@@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)CC1=O 1850202963 DVLCLNJAMFAUTM-INIZCTEOSA-N 438.463 0.931 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)CC1=O 1854494418 HXVYLUSHYPHFQS-IAGOWNOFSA-N 437.562 0.582 30 10 ICEE Cc1ccc(OCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1C 1856919623 SIVUSWVKMNTLSW-QGZVFWFLSA-N 434.518 0.281 30 10 ICEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267881561 INAOJUWTUAQKEJ-CYBMUJFWSA-N 448.329 0.876 30 10 ICEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073179 HGMWQRIRGBCICK-ZFWWWQNUSA-N 444.297 0.903 30 10 ICEE C#CCCN(CCOC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270521468 JCEIZMNXZXFMNK-KRWDZBQOSA-N 426.491 0.756 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)n1C 2315521143 AIHFHRZCBZJXIP-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cc1ccccc1C(=O)NCC(=O)NCC#CCNC(=O)CNC(=O)c1ccccc1C 680369310 GKJDZPQAQHLDJW-UHFFFAOYSA-N 434.496 0.699 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 732152906 HCIIGIZPZVNBFC-OMEIHDDLSA-N 426.429 0.453 30 10 ICEE CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 744494456 FMPMHFLNCFNEHJ-AWEZNQCLSA-N 437.474 0.847 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 758078072 YBAAHTUFFSYRAR-UHFFFAOYSA-N 429.461 0.603 30 10 ICEE N#CCNC(=O)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1227976698 UOYHNHLPPVZWNP-CYBMUJFWSA-N 441.229 0.113 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1286391943 KBARJXXUIBSNHE-INIZCTEOSA-N 437.566 0.578 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1286408844 FVDJXDNFJZMGTC-KRWDZBQOSA-N 426.502 0.655 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286503389 AKVLHDYHFHOZRG-CABCVRRESA-N 425.580 0.999 30 10 ICEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1297981868 GUFDACJCNZHLBE-UHFFFAOYSA-N 445.549 0.767 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300501652 MREPRVKLHBYOMN-KRWDZBQOSA-N 449.577 0.722 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1300695680 FXEUSOGXINUGPJ-XUTLUUPISA-N 434.504 0.565 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301474667 FIQHNPZAKBGOLW-OAQYLSRUSA-N 432.525 0.591 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)C1 1302978922 LWRKPMHNQDAUIK-RLFYNMQTSA-N 427.502 0.818 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1359292587 SUOJZLMUOQWXKN-MRXNPFEDSA-N 442.524 0.385 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632614 OHFRSIKAGKLUKQ-KZNAEPCWSA-N 437.566 0.129 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507637676 LZZFZIAKMHFYIM-KUNJGFBQSA-N 428.580 0.743 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507954813 PZVXIJYJAULUIS-QZTJIDSGSA-N 449.581 0.754 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1517624443 DPDRDOMJCHZDJK-CZUORRHYSA-N 434.478 0.069 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539704661 GKPSVFXBCPJTAG-IRXDYDNUSA-N 440.570 0.492 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1540869840 YNUGOAAHXRPDDJ-HNNXBMFYSA-N 437.504 0.967 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1541677561 CZCYAJQZCYVINO-ZDUSSCGKSA-N 435.510 0.399 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC(=O)N1C 1544723376 LWGBHXXIUJVLPF-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1587639252 KSWIUDCCRIAGGO-YESZJQIVSA-N 447.565 0.528 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1587975298 WQBGUKUGJAWOME-UHFFFAOYSA-N 429.506 0.153 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 1595831769 VTMRHHRTVNKACJ-GJYPPUQNSA-N 428.555 0.738 30 10 ICEE N#C[C@]12CN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1598568693 ZCICDNNUTODQCY-SUMWQHHRSA-N 429.495 0.281 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454463 IBSZTQBXGPUDSH-UHFFFAOYSA-N 439.538 0.560 30 10 ICEE C#CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454474 IGEVXEIELLOSQO-CMDGGOBGSA-N 430.505 0.959 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1649042845 USEWIJJTQFPMII-LJQANCHMSA-N 434.474 0.426 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OCc3ccccn3)cc2)CC1 1650846037 HOCIBPWOYGAQKV-UHFFFAOYSA-N 428.514 0.815 30 10 ICEE C#CCN1CCC[C@H](NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1686716209 ROTYOKOSUFMZSZ-HNNXBMFYSA-N 434.518 0.228 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690668722 GOKCGDCTKHFTSD-INIZCTEOSA-N 438.492 0.423 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690668977 PCLVMNIAEURHPQ-UHFFFAOYSA-N 426.525 0.161 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705539973 JCTPERYYWFIAEO-ROUUACIJSA-N 446.552 0.589 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705902502 GEEASPSLZVCDBP-MRXNPFEDSA-N 440.570 0.240 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705922156 HJANZDBDZNDDIM-NVXWUHKLSA-N 435.554 0.741 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1740554207 XJHHTFGSGAUBDX-BBWFWOEESA-N 447.565 0.528 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1740610335 XICXQGWXLBSXDQ-INIZCTEOSA-N 426.539 0.462 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740615781 LDEKZWCEKVEHGW-GFCCVEGCSA-N 435.472 0.881 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1740717067 IIOCUMLCXBLTMC-MRXNPFEDSA-N 439.607 0.899 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1747942165 HQIWKMQKDZKTNI-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1748672058 PWYMVYFFCWGIII-FGTMMUONSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748812703 ZDXDIFWXANHJPA-FUHWJXTLSA-N 447.565 0.026 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1749668671 CHAJSGTUEZSUPU-CRAIPNDOSA-N 429.477 0.944 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1769976770 BZPOUGIUYDWFLD-QGZVFWFLSA-N 433.557 0.906 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#CCN3CCOCC3)C2)cc1 1850019689 FWPKUYVEZKLWBZ-SFHVURJKSA-N 435.546 0.548 30 10 ICEE C[C@@H]1CN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853923517 HILAYAUJAFWZEG-APWZRJJASA-N 432.546 0.974 30 10 ICEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870535408 SLENXASKSOHMHO-UHFFFAOYSA-N 447.580 0.568 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 105265529 ABAHXMGFTSXXHD-UHFFFAOYSA-N 444.941 0.582 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 465130316 OQJHWOSPKWJXSZ-HNNXBMFYSA-N 425.493 0.982 30 10 ICEE Cc1ccn(C[C@](C)(O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c1 468267783 IXHKAOVCMYDGKY-NRFANRHFSA-N 444.513 0.313 30 10 ICEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C)c1=O 478836367 CEUYCRLULMQKAP-JTQLQIEISA-N 437.319 0.442 30 10 ICEE Cc1ncc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1C#N 489003147 CDMNCTLPFYANOB-QGZVFWFLSA-N 442.563 0.162 30 10 ICEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508893282 GIZQHZQRCQQZBO-IBGZPJMESA-N 431.585 0.931 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(S(=O)(=O)C4CC4)CC3)CC2)o1 549077125 BNUZSSLWUKPJJO-UHFFFAOYSA-N 436.538 0.003 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 554198069 SPEWJYJNVOHXKH-VQTJNVASSA-N 445.479 0.697 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 564047244 JRVOWHCOIQDJPK-UHFFFAOYSA-N 428.308 0.948 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 575956967 KWLQVUQDISPLOZ-INIZCTEOSA-N 440.570 0.492 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669806053 UKRBIBKHCFINOH-YQQAZPJKSA-N 439.586 0.063 30 10 ICEE CC(=O)N[C@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)N[C@@H](C=O)CCCNC(=N)N 725439049 JEQVYCMCKPVWJE-ZACQAIPSSA-N 426.562 0.015 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCN1C1CC1 741095546 HKZPWRPIJFFQTO-HNNXBMFYSA-N 435.481 0.404 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763434504 IVJVWADSFDJZSC-GDBMZVCRSA-N 430.530 0.081 30 10 ICEE C#CCN(C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 774154209 GJSJSXQQHTXURS-CQSZACIVSA-N 425.463 0.986 30 10 ICEE Cn1cc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 1083930905 IRCKNHXNBXSJJI-UHFFFAOYSA-N 449.522 0.753 30 10 ICEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CC1 1171491019 RQBJMXYXEBJEPA-UHFFFAOYSA-N 435.546 0.882 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1 1252076259 BGVNWMWVOMNJEE-UHFFFAOYSA-N 426.449 0.958 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286389030 DPSIYDSIOINXNN-HZPDHXFCSA-N 444.517 0.308 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286783999 SRXGZULDILYRIG-JOCHJYFZSA-N 440.504 0.981 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCCOCC1 1303095867 KINCPZNSNWQZIO-HNENSFHCSA-N 429.481 0.154 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1313995847 HDHRQUBLTUWOOG-QFIPXVFZSA-N 438.536 0.735 30 10 ICEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358915180 VDQDGXFUDNABJO-UHFFFAOYSA-N 435.532 0.995 30 10 ICEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358920534 AWYNQXVAOYEKKX-MRXNPFEDSA-N 432.525 0.343 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358955514 NJWTZENHYQEHGD-KRWDZBQOSA-N 447.565 0.638 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1471728139 HLYXDDROCMLCTH-GOEBONIOSA-N 433.490 0.161 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1507844145 CUKHSVSILBMAHZ-INIZCTEOSA-N 440.526 0.828 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1508097666 JKRDVVKVRQUCRB-UXHICEINSA-N 434.497 0.263 30 10 ICEE Cc1nsc(N2CCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1C#N 1527235123 SXUJGVVODBVFDG-MSOLQXFVSA-N 426.502 0.965 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539201143 XEIYHMZKGFMMHX-SJORKVTESA-N 449.577 0.956 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1539481233 IYSHIEGCTRFZMR-XMSQKQJNSA-N 430.553 0.205 30 10 ICEE CCc1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546515882 IYWCKYLJOMVLKT-HNENSFHCSA-N 427.509 0.816 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1555610283 XTUKMJPJNMVFBG-UHFFFAOYSA-N 438.492 0.671 30 10 ICEE C#CCN(CC(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)CC)C(=O)OC(C)(C)C 1565583876 BROYEENGFIMYNK-IEBWSBKVSA-N 438.569 0.836 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1593746550 IDQIMWDNOBCOCE-IRXDYDNUSA-N 437.566 0.974 30 10 ICEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1619042545 ADFSQJWHHCNAFG-UHFFFAOYSA-N 446.533 0.989 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1636546226 MCRXZCMRODFPRM-HZPDHXFCSA-N 445.563 0.982 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1636857031 REIXUDOBDFWHDO-NMDWWQQVSA-N 442.559 0.840 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1644285084 HGTHMWQUQGZUTM-IFMALSPDSA-N 446.573 0.137 30 10 ICEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 1654149234 ZPFBUNRNAQYHIG-YWZLYKJASA-N 430.530 0.918 30 10 ICEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)c1 1687347290 YPUDQBQCEBWASU-QFIPXVFZSA-N 441.488 0.546 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(C1)OCCO2 1689966012 IOLUTRJOKMWULR-HZPDHXFCSA-N 439.538 0.224 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690655468 WGNGDYNWEGHZHZ-UHFFFAOYSA-N 443.552 0.655 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1690724005 GCUGIYRBJFMDBR-CQSZACIVSA-N 435.572 0.058 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565764 VXZSBMFYNQDIMV-MSOLQXFVSA-N 446.577 0.631 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNC(C)=O)CC1 1705638830 YHTGYLSCGVPLQI-UHFFFAOYSA-N 434.504 0.875 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722381072 HLBKTUZNEPOEHC-PKOBYXMFSA-N 433.516 0.970 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722429441 MFTCOWRWVXKQHT-KRWDZBQOSA-N 434.566 0.094 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(=O)NC)CC1 1722436055 VJXDUGTXMXDKTP-UHFFFAOYSA-N 448.535 0.448 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722690157 GLSPHUBVPNIWKB-LBPRGKRZSA-N 439.398 0.995 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1740627156 YRTUFAANQSEGRN-SJORKVTESA-N 428.518 0.169 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C2COC2)nn1 1740724372 ATESLMXGWFBYQV-SCLBCKFNSA-N 434.526 0.092 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1748817520 LRNSYGATAKEQTC-MSOLQXFVSA-N 439.582 0.377 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749210224 DSTAQBDGTKUDIO-UHFFFAOYSA-N 442.524 0.694 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1760188803 MXDSYVGPWBNJJH-INIZCTEOSA-N 428.522 0.661 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760190436 QRPGEKCERIHIFD-QZTJIDSGSA-N 433.534 0.552 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760192641 LIGKKZFOMDUWMW-QGZVFWFLSA-N 425.555 0.164 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C)CC1 1760525896 VSTFAMNVFHSUQA-UHFFFAOYSA-N 433.520 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1760555218 AGIKWAGHRVVCFM-AWEZNQCLSA-N 432.568 0.396 30 10 ICEE CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C1CN(c2nccnc2C#N)C1 1849521709 MSYMYLFMIGYZQQ-GOSISDBHSA-N 444.492 0.988 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)C3CC=CC3)C(=O)C2)C1 1854354138 FXNLUXDHJSUOLH-SFHVURJKSA-N 428.514 0.958 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(NC(=O)OC(C)(C)C)C2)n1 2247903698 IUHKQQXYQPWPBY-UHFFFAOYSA-N 442.347 0.617 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268705936 HYIPCTFMZHEZNM-BPUTZDHNSA-N 449.313 0.660 30 10 ICEE CC1(C)COCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 481417890 SWSJQYMTMCOHIA-UHFFFAOYSA-N 435.550 0.685 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481983703 SBILUDALBRPKIX-AWEZNQCLSA-N 426.523 0.827 30 10 ICEE COc1cc2c(cc1S(=O)(=O)N1CCN(c3ncccc3C#N)CC1)OCC(=O)N2 485432202 BWGSZQUOJJRNOK-UHFFFAOYSA-N 429.458 0.804 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 508886494 BDFNIRLWLYXKIE-DLBZAZTESA-N 426.587 0.965 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)O)cc1 546904446 ZZSQREIPZQUVKQ-OXJNMPFZSA-N 443.529 0.638 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 548932989 BNVZXQIZEHHWBO-UHFFFAOYSA-N 427.593 0.995 30 10 ICEE Cc1c(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 564285228 NANBNGIICOWIKH-UHFFFAOYSA-N 430.534 0.565 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4nn(C)cc4C#N)CC3)C2=O)n(C)n1 611557470 JXQSRQFFKUNUJS-INIZCTEOSA-N 425.497 0.679 30 10 ICEE COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 730565092 QFISIOFRFVIAKN-UHFFFAOYSA-N 440.525 0.294 30 10 ICEE N#C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCN1C1CC1 736405679 LOGOPUXOEXOMRE-KRWDZBQOSA-N 425.555 0.341 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134429101 OHFQHJJTVRMFLP-ABSDTBQOSA-N 433.486 0.421 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C(F)(F)F 1178060300 SIAFPIKXZWZCLY-GHMZBOCLSA-N 431.371 0.735 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1286430899 KTEIKDLKAVLNBA-OTWHNJEPSA-N 449.577 0.747 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)CC1 1286481915 YSIKRFUMEYCIRF-PGRDOPGGSA-N 443.573 0.843 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1286715414 YXKOXTDAOWNTOZ-CWVYHPPDSA-N 448.549 0.318 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1293242052 HREKJNJFLIILQD-INIZCTEOSA-N 432.506 0.488 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300319627 CQIXRHKETJQRMK-FOIQADDNSA-N 429.502 0.736 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300490648 ANLPFXHOGDWABN-HZPDHXFCSA-N 435.550 0.551 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(O)cc2)C1 1302483275 GOIQBEOVDIJRLQ-DLBZAZTESA-N 448.505 0.094 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)NCC#CCO)CC2)cc1OC 1313190827 HTAQPCQIUDNWOZ-UHFFFAOYSA-N 425.507 0.399 30 10 ICEE CN(C)CC#CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1471630147 LJTGBNLBHFGYLE-ZACQAIPSSA-N 435.525 0.775 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1479127953 BRIADXWHCSWPAK-UHFFFAOYSA-N 445.549 0.583 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1516029402 YIALDFMQHOPZDX-SFHVURJKSA-N 445.549 0.861 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 1545611992 CQHINEFGYAHNQV-UHFFFAOYSA-N 429.495 0.809 30 10 ICEE CCOCc1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1548097513 NMXBFXBOCSZKEE-KXMXNUBZSA-N 443.508 0.588 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)Cc2cccc(F)c2)cn1 1554333080 CRVUFQBJZZICNG-GOSISDBHSA-N 438.467 0.905 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1588074101 IXABNGJWUZJDSB-QFIPXVFZSA-N 442.589 0.795 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 1588836109 FQNBWGJAGKOXDL-OAHLLOKOSA-N 446.524 0.412 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589070861 YMVGFNPKEQRIPN-RDTXWAMCSA-N 425.580 0.509 30 10 ICEE CN1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1629068653 KNLSONTVGCAAKI-INIZCTEOSA-N 428.493 0.680 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 1634411770 RDQDYWYZESOPRL-CVEARBPZSA-N 443.570 0.617 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 1650845984 DNPNIWHCZWEXJU-UHFFFAOYSA-N 428.514 0.572 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1 1677141159 TYJDELMZCGJOQT-KRWDZBQOSA-N 427.958 0.738 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1690190007 IYAJVEUSQPCBER-IIDMSEBBSA-N 443.595 0.705 30 10 ICEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690349255 RNAZWRTZSKICGE-UHFFFAOYSA-N 433.944 0.901 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1705599063 UYFVBWOKBKMTGX-FHWLQOOXSA-N 449.577 0.889 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1705612801 PFNSHVLJHJWBNE-KRWDZBQOSA-N 436.538 0.978 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705902103 GRHMYMGDKOFTIP-HNNXBMFYSA-N 443.895 0.048 30 10 ICEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1706759674 UDXFJNWLHJVIMK-SZNDQCEHSA-N 425.493 0.907 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722433064 KILCBKDQIDRLHG-HXUWFJFHSA-N 449.964 0.903 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1722691174 OTFIKPFQKPVYRL-LLVKDONJSA-N 447.359 0.679 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722694673 DKQHZIXYHOKIMN-UHFFFAOYSA-N 429.506 0.201 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722706646 WIXSOZXYGOZBET-MAUKXSAKSA-N 440.504 0.883 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1=O 1729592481 JOYINKKDQIAQBA-FQEVSTJZSA-N 443.533 0.377 30 10 ICEE C=CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1741004564 FKDYHBWCWYDHGX-DNVCBOLYSA-N 425.555 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1748817522 LRNSYGATAKEQTC-ROUUACIJSA-N 439.582 0.377 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1748831020 DJXACMXVPRLQSY-UHFFFAOYSA-N 428.518 0.356 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1749668751 DPKZARIDRSFJPI-INIZCTEOSA-N 438.598 0.793 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760143922 XJCYQBUHBWQGEW-UHFFFAOYSA-N 436.520 0.748 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760182718 LLBINPMBXPVDDW-OAHLLOKOSA-N 449.537 0.367 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1760555136 YAOXPXAXJVVUNZ-OAHLLOKOSA-N 442.567 0.114 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1763116015 ALENCOWCHGVXNG-ORQRPPJRSA-N 429.481 0.371 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1769131717 KZXUYGKTUUJHHD-LVHCJKAXSA-N 438.492 0.685 30 10 ICEE CCN(CC)CC#CCNC(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 1850995880 OLACVRMVWLEOKL-INIZCTEOSA-N 427.567 0.730 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(N3CCNC(=O)C3)C2)[C@H]1c1ccc(C#N)cc1 1892006108 MWWHYSJEOMQZIR-RTWAWAEBSA-N 441.557 0.594 30 10 ICEE C=C(CN(C)C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248442837 XRPXZTUKCWSBBY-SOUVJXGZSA-N 426.319 0.974 30 10 ICEE C=CCn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C(/C#N)C(=O)NCCN1CCOCC1 96793329 FXIFLDRPGYIAPP-KQPZIIFQSA-N 444.582 0.417 30 10 ICEE CC(=O)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H](COC(=O)c1ccccc1)OS(C)(=O)=O 255963090 ASSGEEKBKJCWQS-RNGZQALNSA-N 444.458 0.996 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 445668711 PRFRHFKDDOEEOY-UHFFFAOYSA-N 443.529 0.942 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474355605 PJRAEAAVVQJYLR-NVXWUHKLSA-N 442.541 0.446 30 10 ICEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 611371710 FPWIBWFQPVGMCY-XMSQKQJNSA-N 437.548 0.808 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 669810809 NGURMZRHOAWJCR-NWDGAFQWSA-N 425.433 0.565 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 917768823 TVNBTGUVPKAEPK-INIZCTEOSA-N 441.557 0.846 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1S(C)(=O)=O 1171954179 DJNCLPUNEHSRFZ-VQIMIIECSA-N 437.541 0.500 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)Nc2nnc(CC(C)C)s2)CC1 1175514632 BQKMVWLKIJXHFP-UHFFFAOYSA-N 442.567 0.067 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2ncc(Br)n2C1 1180637633 DEJGZBXLNUZPLY-SNVBAGLBSA-N 438.307 0.815 30 10 ICEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)C1CCCC1 1252479565 PFSGWDNHBAJGDT-SFHVURJKSA-N 449.581 0.740 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286388960 DCPFMHSSGHKDGK-IAGOWNOFSA-N 432.550 0.621 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1300392811 KQILDXHBZGFLCC-IBGZPJMESA-N 442.497 0.484 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)C)n1 1300676001 JTCDMMFCWJKIQL-UHFFFAOYSA-N 442.524 0.085 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300734109 RACMESKTLYQATF-AWEZNQCLSA-N 434.547 0.915 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1301967568 DYTWDJUNUOCXJR-CABCVRRESA-N 428.584 0.756 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1303638785 BWRNKKMLOOXSNF-SJORKVTESA-N 439.586 0.835 30 10 ICEE Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304848673 VVTZKCWMKSGIMP-FTHOYRMOSA-N 429.525 0.662 30 10 ICEE CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1305095423 QPEGKUHHAVGWSV-KIJUOZEOSA-N 448.549 0.943 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358955081 DJYGMXIMZPPMIE-WMZOPIPTSA-N 448.593 0.624 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](Cn3ccnn3)C2)CC1 1460469952 UQHFYMMGKHCYOY-PMACEKPBSA-N 427.484 0.527 30 10 ICEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)C2)c1 1470618399 MFBTXXJJDFUBDV-UHFFFAOYSA-N 441.513 0.979 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1507518447 VGSWEUGNMFEXHP-LSDHHAIUSA-N 432.550 0.949 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507637954 NQFYEONQERSOKZ-QZTJIDSGSA-N 445.545 0.812 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1539226004 SBHIYCHRSOMZIE-SFHVURJKSA-N 440.533 0.572 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539744544 PKIVHDHQTJOKIU-INIZCTEOSA-N 440.570 0.730 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1541116834 VXDXQPLKEPPGGV-HUUCEWRRSA-N 437.526 0.876 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1587990264 UTISBXSNQGVUOG-KBPBESRZSA-N 431.609 0.529 30 10 ICEE O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)C#Cc4cccs4)CC3)cc2N1 1627845521 UTNOEGGLHKZRMA-UHFFFAOYSA-N 431.495 0.964 30 10 ICEE CS(=O)(=O)N1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628327449 BOALAMNUBMBLKY-AWEZNQCLSA-N 427.324 0.907 30 10 ICEE C[C@H](CC(=O)NCC[S@](=O)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1632730706 ASMIWYRJLIFVBZ-SKVICXGVSA-N 425.454 0.931 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(S)nnc2-c2ccc(C)cc2)CC1 1632960920 QZPZVFZPGMWPJT-UHFFFAOYSA-N 434.547 0.154 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1637390411 ULZFSHZYUMPXJY-INIZCTEOSA-N 437.518 0.902 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1cc[nH]n1 1641119351 BDHSLSPETXMTAS-CYBMUJFWSA-N 429.433 0.624 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)OC)ccc1F 1644124034 VSCRAWFKXBKTLI-CQSZACIVSA-N 430.454 0.715 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1644914187 KFDJUZWIMQWGNH-GOOCMWNKSA-N 439.559 0.977 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 1683598367 CDLQKZNMTFIXMQ-UHFFFAOYSA-N 445.339 0.753 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 1690124345 JMPXDTPKXKMEML-SFHVURJKSA-N 434.610 0.810 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC)C2)CC1 1690144006 JBVQDDQULOADHI-FUHWJXTLSA-N 427.553 0.537 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1690622481 QECPZKXQDDUQOS-HNNXBMFYSA-N 441.554 0.101 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705903155 NDJRZPPFCQEGFA-KRWDZBQOSA-N 428.493 0.976 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705909333 UCVQMRAQMDMWFE-QGZVFWFLSA-N 432.525 0.507 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712543293 LWDUMWNJSBLYCG-LZQZEXGQSA-N 441.554 0.682 30 10 ICEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729824716 BFRIAZHFCHJQIC-HOTGVXAUSA-N 439.524 0.926 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1731010694 RFAFUVIAGOFGLC-UHFFFAOYSA-N 448.549 0.687 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740951393 XIPGDMQLEZVCHT-STQMWFEESA-N 430.431 0.972 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)c1 1748691952 AIKYEZLFQSXVDL-KRWDZBQOSA-N 447.503 0.955 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748802254 OGRQSGVVDJAZGM-HUUCEWRRSA-N 425.580 0.892 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1748843458 FIAQSTWIVITQRN-HNNXBMFYSA-N 446.558 0.650 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1748961259 ZHAMDCREWZYGNB-KRWDZBQOSA-N 428.468 0.884 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1748965055 PDIXTBRKZOXTEB-KRWDZBQOSA-N 439.582 0.377 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749039030 OKJLCPJMUXXXGV-RBSFLKMASA-N 448.636 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749730523 HKQBCCIPOWZLJV-OAHLLOKOSA-N 431.522 0.537 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1760097200 BKDXJJXVRURQRZ-LSDHHAIUSA-N 434.570 0.907 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1760199520 XVBWSQAFEFNFJE-UHFFFAOYSA-N 431.518 0.927 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760440329 HINHHNXWHHVFGQ-AWEZNQCLSA-N 431.584 0.664 30 10 ICEE C[C@H](C#CC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1902015235 XCBWNSMVLCDUOT-HGTKMLMNSA-N 427.498 0.360 30 10 ICEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066560 DQNVKQDVCMYCBY-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE C#CCO[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286018477 REDLMXKPFHSNKN-ROUUACIJSA-N 438.502 0.898 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCN1CCOCC1 521767196 HKPROISEXJUKNM-UHFFFAOYSA-N 426.542 0.108 30 10 ICEE Cc1nn(-c2ccccc2)c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C#N 611345973 AEZVOWGFONBHJL-UHFFFAOYSA-N 430.534 0.747 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777450692 WVGYYUBMLWMUQD-CQSZACIVSA-N 428.511 0.785 30 10 ICEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnn(C)n2)C1=O 782883864 LRDOVAUDSFUSEZ-OAHLLOKOSA-N 448.528 0.939 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@@H](C)C1 784907010 LWOGFOKBNQMJQR-HOEZRSETSA-N 449.533 0.517 30 10 ICEE C#CC[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1161364630 FRCGLYFTZXDNMB-GOSISDBHSA-N 432.502 0.750 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1286466567 ZSAPGWSRLMYXRV-LAUBAEHRSA-N 448.593 0.523 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1286534758 CPZNSPAWTCQAJZ-SDDRHHMPSA-N 438.348 0.647 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1286789170 ARFHSGDAXQIGHO-UHFFFAOYSA-N 431.541 0.004 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1300534906 FPPKZMAWIWBUQK-QGZVFWFLSA-N 437.591 0.971 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300988478 DCWAUBNVKJBRPA-SFHVURJKSA-N 434.541 0.949 30 10 ICEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1301805334 GPWQXZISIDOISE-UHFFFAOYSA-N 426.525 0.871 30 10 ICEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1319282949 CKDZPDYPXQHIGN-AOMYARPXSA-N 432.481 0.728 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358965424 VAZFLSUVFYMWEI-MSOLQXFVSA-N 431.518 0.306 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1359028463 SXNAPWACMYTVFN-UHFFFAOYSA-N 431.541 0.650 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1443254816 KVJJNBYUJRCDKH-STQMWFEESA-N 437.946 0.784 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]12 1453567930 JNSLHHYFLXSXLU-BBWFWOEESA-N 426.535 0.907 30 10 ICEE C=CCC1(O)CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1455688767 QQTQJFXHKHIDNQ-UHFFFAOYSA-N 435.502 0.919 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1507689991 OHXJWIMREFGFHE-KRWDZBQOSA-N 446.533 0.218 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1508072309 PFHFERIBLGCQLP-UHFFFAOYSA-N 440.508 0.676 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1508144096 ASBVFJVEYMMBOB-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCc1ccco1 1539538049 AZQIDLCSNCHFLT-IFXJQAMLSA-N 434.522 0.790 30 10 ICEE CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541700518 CRBJQUGLPBKWKQ-MRXNPFEDSA-N 437.508 0.347 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1557439753 NBMULZGHZRAQSY-CQSZACIVSA-N 434.880 0.854 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588672948 IZCRXWMFSXQRBV-GOSISDBHSA-N 449.581 0.507 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1588801110 VJSZQIHUBAZWNU-UHFFFAOYSA-N 439.545 0.919 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2(O)CCOCC2)CC1 1588930425 VTFMIBUVKGQPFH-GOSISDBHSA-N 431.537 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1595759597 GMGWXJAMTIHINS-KBPBESRZSA-N 449.599 0.493 30 10 ICEE CN1CCn2ncc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2S1(=O)=O 1624669209 FBVYVSRSJXHRKF-UHFFFAOYSA-N 428.518 0.737 30 10 ICEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)C2)nc1 1637928015 FULMSFHJZZDDDG-PBHICJAKSA-N 425.420 0.746 30 10 ICEE C#C[C@H](CCC)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1654542524 CFUXJMNCVUYPPA-OAHLLOKOSA-N 427.548 0.653 30 10 ICEE Cc1csc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1671133744 DELVFHSEYKAHKN-LBPRGKRZSA-N 432.549 0.595 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)CC1 1676522924 DFKQDQDJSOBQEO-UHFFFAOYSA-N 448.545 0.923 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1690032660 GUGKHDFFTXUMOT-YWZLYKJASA-N 432.550 0.362 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1690661339 ZOYVHXKIOKOQOV-HOCLYGCPSA-N 440.570 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705902925 MLCZOFACVZEORR-QGZVFWFLSA-N 433.557 0.469 30 10 ICEE COC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711468756 MOAWVYMDCMXNDH-NXVVXOECSA-N 431.497 0.990 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722359986 BWCDNKRVKIAYIL-MSOLQXFVSA-N 448.549 0.501 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722365081 CNPUWHPINIIXES-IAGOWNOFSA-N 432.550 0.807 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722697705 QEJQYRZHPQOFAX-UHFFFAOYSA-N 440.552 0.597 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1729687709 ACIQTBGPKCSARD-GCJKJVERSA-N 440.504 0.841 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740619098 MKKQNEPKMWNMHU-QGZVFWFLSA-N 426.502 0.580 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1740635628 XJISJTRLECKKHY-UHFFFAOYSA-N 429.502 0.681 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1740639879 GNCNDLBMWLRAMC-KURKYZTESA-N 435.550 0.356 30 10 ICEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1741116181 KFCAUNDEAIKPKG-GOSISDBHSA-N 439.524 0.707 30 10 ICEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748274677 ANYXDMVTFZNSKX-UHFFFAOYSA-N 431.504 0.993 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C2CC2)CC1 1748790261 HPOIVGYGZOHDIT-GOSISDBHSA-N 436.582 0.555 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748817700 OQZZTJASZWBSLG-GDBMZVCRSA-N 438.941 0.959 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1749650488 YZDFWFKIBOIPBI-UHFFFAOYSA-N 432.554 0.810 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749680224 HLZCAADFZLLJJJ-IBGZPJMESA-N 442.520 0.809 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1760243919 UJSCUIKLFLOKMX-LJQANCHMSA-N 432.569 0.957 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760555585 IKSARKXEWBIQDK-CVEARBPZSA-N 438.554 0.329 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760558345 MQBALOIPWKIMOS-DNVCBOLYSA-N 441.554 0.198 30 10 ICEE CS(=O)(=O)N1C[C@H](C(=O)NCC#CCN2CCOCC2)Oc2ccc(Cl)cc21 1851287239 MDGJXODRDXSZGO-QGZVFWFLSA-N 427.910 0.319 30 10 ICEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2ncc(Cl)cn2)C1=O 1854336106 BRWHMPHBPHYRPB-HNNXBMFYSA-N 426.868 0.743 30 10 ICEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(CCO)CC1 1870492271 OPWQIPLFNMZQPL-UHFFFAOYSA-N 432.565 0.972 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2247880960 OMUVSDPKXUEZQP-UHFFFAOYSA-N 442.347 0.617 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H](S(C)(=O)=O)C1 2247931266 MHRNNBNIUBMAFM-KBPBESRZSA-N 442.343 0.770 30 10 ICEE Cn1ncc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255541503 CMWYJBNYWPKYMK-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267089142 AMVGLGVQQNZZHE-CQSZACIVSA-N 449.361 0.990 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1 2267461623 RXYNWEHGIJROHU-UHFFFAOYSA-N 448.289 0.801 30 10 ICEE Cn1c(=O)c2[nH]c(Sc3nc(N/N=C/c4ccc([N+](=O)[O-])cc4)n[nH]3)nc2n(C)c1=O 105375536 BJFAPQHCDLMZGO-REZTVBANSA-N 442.421 0.584 30 10 ICEE CSCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccccc1C#N 247489833 BCKVEYJAKFQMSW-KSVNGYGVSA-N 431.470 0.855 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)CC1 438534170 IEBOQRVYLWHMKX-MRXNPFEDSA-N 445.520 0.820 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447779933 OWMHUANXUVPXDJ-UHFFFAOYSA-N 437.525 0.771 30 10 ICEE CS(=O)(=O)CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 481537537 MCNFQOFNSPTWFY-UHFFFAOYSA-N 440.547 0.399 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)nc1 609920270 DRNQLGXGYFNTDL-UHFFFAOYSA-N 425.537 0.729 30 10 ICEE CC(=O)O[C@@H]1[C@@H]([C@@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@@H]21 616582290 ASSGEEKBKJCWQS-XSDHEKCYSA-N 444.458 0.996 30 10 ICEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1CC(=O)N(Cc2ccccc2C#N)C1=O 747830238 VOPNLEGRVRBHOY-PSBWJHGTSA-N 440.456 0.705 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cn1 772278146 LSFQTRIMWQQVEH-UHFFFAOYSA-N 441.557 0.657 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN2CCCN1CC2 773532570 OTFRNVYXCMOUHL-KRWDZBQOSA-N 433.578 0.792 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)n1 788652465 KNZRBHKZKWFDJP-UHFFFAOYSA-N 435.506 0.403 30 10 ICEE COc1cc(Br)c(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798813608 AQGQKAAKDAYGEJ-MRVPVSSYSA-N 444.267 0.996 30 10 ICEE C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 800670004 JAPSWPUKQNJXQU-UMVBOHGHSA-N 442.563 0.338 30 10 ICEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937457 DJLBKCCERZZNHD-IEBAWWKASA-N 446.501 0.924 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc(S(C)(=O)=O)n2)c1 813397678 LIGZEIHLAXXXET-QNGOZBTKSA-N 437.503 0.945 30 10 ICEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1157911526 YIASZZKAKXHHSM-UHFFFAOYSA-N 439.519 0.981 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1174677864 KPWFLFXZBQQBNU-DLBZAZTESA-N 437.518 0.698 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 1222199245 HQWLUEKRPRSBMJ-AZUAARDMSA-N 449.577 0.071 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286383661 YOLAKFFUMLEDHC-KSZLIROESA-N 449.577 0.956 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286786567 HFTKIICXTZFDCH-MRXNPFEDSA-N 443.556 0.018 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1288825106 AUZZUCZXNUGTRP-DEYYWGMASA-N 436.517 0.789 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1297322585 OLRBJWRYGFZUSC-KRWDZBQOSA-N 449.920 0.918 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCC2)CC1 1300722997 OPNQDQWWBPCSBZ-GOSISDBHSA-N 427.553 0.681 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)CC1 1300725902 LIJCCZQCALXJCU-KKSFZXQISA-N 449.577 0.307 30 10 ICEE CCN(CCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1)S(C)(=O)=O 1313798724 CIUZMYMPVPWBJX-UHFFFAOYSA-N 432.554 0.851 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCC2)C1 1316354355 GRISVBUYCFXRCL-YOEHRIQHSA-N 442.517 0.358 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCOCC2)CC1 1359040783 GIUNFPOIXIPHBR-QGZVFWFLSA-N 449.552 0.509 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1359240836 YELNVVIYQATUFT-CYBMUJFWSA-N 440.492 0.727 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1458347041 GVDATGCKOPVSHV-IRXDYDNUSA-N 446.547 0.888 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1O 1503880477 BJXKCSHXXSVCGZ-IAGOWNOFSA-N 426.477 0.655 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540033572 LUCJWSTVCUSYSM-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE C[C@H]1COCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1545121738 WJUKVSLQFMJELN-JGWKNBOWSA-N 429.481 0.152 30 10 ICEE COC(=O)c1ncoc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157771 HESAWKCIITXPDE-UHFFFAOYSA-N 432.458 0.799 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595569737 OBKCNTQGFKHRHF-UHFFFAOYSA-N 446.556 0.287 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1616825864 IKOTVOMCCFSHPZ-CYBMUJFWSA-N 432.506 0.784 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CCC(=O)N(C)C)CC2)s1 1632606516 URHYCVAVCUEXGM-UHFFFAOYSA-N 442.607 0.814 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)s1 1634744049 FTQYTIACBOJIFT-GFCCVEGCSA-N 444.560 0.950 30 10 ICEE C#CC1(F)CN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1636906641 GKXDSYGRMONNJC-UHFFFAOYSA-N 437.472 0.130 30 10 ICEE C[C@H](CC(=O)N1CCN(CC(F)(F)CO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640339151 IUGKKPQXQGDQQR-CYBMUJFWSA-N 430.477 0.276 30 10 ICEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1642349031 YVUIWTSNBMGPIV-FQEVSTJZSA-N 441.557 0.769 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1 1644282079 SPUMSRQQHHOJER-GOSISDBHSA-N 436.534 0.264 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690309571 DKHUIFDNVZMVJR-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1690715578 OIFVUJFMUBGWNQ-ZIAGYGMSSA-N 449.599 0.493 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1698492859 GRLYXNIXFRMYEE-CXAGYDPISA-N 438.897 0.272 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1705474158 DJHMJIAMSWXCMB-AWEZNQCLSA-N 432.506 0.323 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1705736933 GSVUCACZJBGVGD-DLBZAZTESA-N 443.570 0.676 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1705933834 SOYDIBSYLYCUNP-UHFFFAOYSA-N 435.531 0.652 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1722275694 FXWNWVPJQISMHT-BZUAXINKSA-N 434.570 0.749 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722431934 QODSACXFKIFSGZ-OKZBNKHCSA-N 436.582 0.625 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722432097 SEAUEFGWYDWLSZ-QGZVFWFLSA-N 437.548 0.810 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1722459276 HDJFURCHHJDJIR-JKSUJKDBSA-N 425.580 0.067 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C(C)C)CC1 1740700893 MGPPDBMQNJVLJM-QFIPXVFZSA-N 430.553 0.887 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1744757597 VLUQNUDDQGDURD-QGZVFWFLSA-N 445.549 0.861 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1748791470 SZJFJOANXRMAHB-LJCCNALRSA-N 437.566 0.622 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748844474 SOVOGRPCBOEAPH-FQEVSTJZSA-N 445.527 0.651 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1749493463 FYLMMUZRYCUOEJ-HNNXBMFYSA-N 440.501 0.846 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1760514947 PCOOBOYYTBJCFE-UHFFFAOYSA-N 441.492 0.613 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760555517 HFJHPAXMPDOMFF-QZTJIDSGSA-N 439.582 0.541 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763813112 GHCALVQALONYEQ-SFXXBHMCSA-N 445.524 0.659 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNC(C)=O 1766397006 VJFQGIYXWHEZMM-UHFFFAOYSA-N 429.529 0.581 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1769976769 BZPOUGIUYDWFLD-KRWDZBQOSA-N 433.557 0.906 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCCNC(=O)OC(C)(C)C 2247857700 XCUKGGSGKPBWDO-UHFFFAOYSA-N 425.295 0.691 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532367 HVOKWPIZLBBCTA-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 509012665 QWUXQFIXMQASBS-GJYPPUQNSA-N 441.554 0.571 30 10 ICEE CN1CCN(C(=O)CC2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 515716381 JBULSMSPQYPHSX-UHFFFAOYSA-N 447.561 0.239 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 540603637 QISNZUORJIQIRY-AWEZNQCLSA-N 446.489 0.421 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 558995909 RSIHXBXHMFSNQB-MRXNPFEDSA-N 431.497 0.999 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 603797094 AYPOHMVYGHUXRZ-UHFFFAOYSA-N 442.516 0.186 30 10 ICEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746150386 YHLUUQBURQEYGC-VHEBQXMUSA-N 449.508 0.441 30 10 ICEE CNC(=O)C[C@H]1S/C(=N/CCCN(C)c2ccccc2)N(CCc2nnnn2C)C1=O 771542788 KVHAVBXRYNUXBK-UMIVRTMYSA-N 444.565 0.715 30 10 ICEE C#CCN=c1nc(N2CCO[C@@]3(CCCOC3)C2)[nH]c(N2CCO[C@]3(CCCOC3)C2)n1 804767768 FUJXHWGCOSUNLK-SZPZYZBQSA-N 444.536 0.110 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 1168565594 DCCZVADQMBZZFK-KGLIPLIRSA-N 445.563 0.851 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286398147 WEILXXCBDHHGHT-KRWDZBQOSA-N 440.566 0.885 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1286818889 RLCYRKYCHIHIPK-UHFFFAOYSA-N 435.554 0.761 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1291241589 QJMCCPWYUFYQKD-KYMMKPHYSA-N 429.481 0.369 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1300989387 APQNGXUBCLZCJV-CVEARBPZSA-N 426.543 0.800 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1303824077 UNYIFHAGMASKPT-BFUOFWGJSA-N 435.554 0.639 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359299301 BKQCHNMUPUCMES-HZPDHXFCSA-N 431.541 0.664 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359302705 QXKSWZWYTDDOMJ-GOSISDBHSA-N 425.537 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359326662 GZPZQAZFVYECIX-OAHLLOKOSA-N 433.600 0.768 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1467765932 BMMDAPBGEQLUOY-HXUWFJFHSA-N 434.562 0.745 30 10 ICEE C#CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1506349922 CJCTYKPIJURSLJ-AGNRALNMSA-N 428.529 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507633373 RZEQDUXGYOSARQ-CVEARBPZSA-N 437.566 0.919 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1507671543 LVSQLANEGPCVJZ-LJQANCHMSA-N 448.593 0.560 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507723521 LDAFXNISTOAJGS-HOTGVXAUSA-N 439.486 0.869 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCOCCS(C)(=O)=O 1507761313 LTLWEGKMLDWIEP-WOJBJXKFSA-N 440.566 0.984 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508095745 SHOKSUJWSDPUQS-UHFFFAOYSA-N 429.525 0.834 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1 1525585896 HHFIZWSAEAUAGR-UHFFFAOYSA-N 439.519 0.576 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1556543452 AXIFAZWXFAWLPH-IEBWSBKVSA-N 430.553 0.420 30 10 ICEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588263136 QGVNRRQRZCNWKS-UHFFFAOYSA-N 425.493 0.139 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594013315 FFSQHNDGSNGBCL-STQMWFEESA-N 425.515 0.033 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1608362455 ZUTKGTAKVJOENU-HXUWFJFHSA-N 436.465 0.202 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1611192308 VHXVQZYENYMOIX-FUCXHRTASA-N 425.532 0.964 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1618691463 YAIXHMDZQWHAGJ-GOSISDBHSA-N 449.471 0.677 30 10 ICEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417497 GSFVVDZEFBCYBI-ZWKOTPCHSA-N 442.559 0.313 30 10 ICEE N#C[C@]12CN(C(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)C[C@H]1CS(=O)(=O)C2 1639815976 DVSIYVPOWWXQQP-HNAYVOBHSA-N 449.510 0.768 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(NS(C)(=O)=O)C1 1641632455 GRJBNBJOPYSFSL-AWEZNQCLSA-N 428.536 0.044 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 1643372671 WLGIJZOJQHNGRX-ZDUSSCGKSA-N 430.324 0.828 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689875621 XNQUTSRGWACXMR-YJBOKZPZSA-N 443.595 0.707 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1690005983 GMQLVYVVOKGFQK-OAQYLSRUSA-N 427.530 0.488 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1690723862 CEBKTBRYLZVSBT-INIZCTEOSA-N 441.554 0.068 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564298 APNQANIHAHAUDQ-KRWDZBQOSA-N 432.550 0.622 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1706848027 BNQWOKUSCXKTPX-HZSPNIEDSA-N 432.572 0.594 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1722385096 ZRPIEYMSBUFGNY-AWEZNQCLSA-N 449.562 0.146 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1722397452 QOWDPACMAOJYBH-QGZVFWFLSA-N 431.522 0.040 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703777 HRAYVGATAMNSJS-GASCZTMLSA-N 447.540 0.629 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1722738405 ITGLAQPVZOXGNS-GJZGRUSLSA-N 431.584 0.755 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1730946055 JMOLDISRSCLALA-MPGHIAIKSA-N 442.517 0.480 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO 1740656620 MBJZMYSYMZPODM-RBUKOAKNSA-N 433.578 0.490 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740986723 FSVDLGHHRZIKIB-UHFFFAOYSA-N 438.598 0.712 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1748801932 KGUHXDKNYJDQMS-SFHVURJKSA-N 445.545 0.584 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749731499 FUULPGFDTXCTNA-CABCVRRESA-N 436.538 0.031 30 10 ICEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1749751802 AHTWLXHADFWTNF-HNNXBMFYSA-N 434.522 0.876 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760180883 MMUZBEQGVLZUPT-JKSUJKDBSA-N 426.539 0.665 30 10 ICEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)C1 1856408848 VGEAORANSFQFIZ-MRXNPFEDSA-N 434.518 0.684 30 10 ICEE COCCN(CC(=O)N1CCN(CCCC#N)C2(CCCCC2)C1=O)S(C)(=O)=O 1856521116 GAAVVTLPEBFSCU-UHFFFAOYSA-N 428.555 0.572 30 10 ICEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C1=O)CC2 1856549148 WKPVQKWGKCHZSH-AEFFLSMTSA-N 434.562 0.944 30 10 ICEE CN(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)Cc1ccccc1 2247880545 HFQUDJLOKRGMGP-UHFFFAOYSA-N 435.359 0.525 30 10 ICEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255744557 KZNIAXUTNFHBLQ-UHFFFAOYSA-N 449.386 0.867 30 10 ICEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112443 GTNFLRUJXCHOQQ-WDEREUQCSA-N 445.251 0.786 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)n1 2267546741 AUQAGCQXKSLYMC-NSHDSACASA-N 445.251 0.645 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2267597009 NXQGHUJLSBQVLX-ZDUSSCGKSA-N 446.317 0.699 30 10 ICEE C#CCCN1CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286016232 MTVUEZAXUNUFQO-MSOLQXFVSA-N 437.518 0.471 30 10 ICEE CN(C)c1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443825 KMXPUOBEJUULIT-HOTGVXAUSA-N 435.488 0.761 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOCC)C1 508913515 OXBCLLJXDMCHBE-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 581382160 ZWDAPZMUKSFUJG-LJQANCHMSA-N 445.545 0.869 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727415460 QKKPVGITCVWONH-MRXNPFEDSA-N 431.514 0.728 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1F 747340984 QXPTVEJDJWFMJF-INIZCTEOSA-N 425.482 0.800 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2nnnn2C)C1=O 771542625 YFHVINJLXPHPHJ-OAHLLOKOSA-N 448.528 0.591 30 10 ICEE C[C@@H](NC(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)N(C)C 918894467 QMKXCDSBVNKSRQ-MRVPVSSYSA-N 434.396 0.906 30 10 ICEE C=CCOC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OC 1139176530 ZGSQZVZNOHXSMU-ZDUSSCGKSA-N 432.520 0.368 30 10 ICEE COC(=O)CCN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1152128859 PFWNQCYAYBOVSJ-ILXRZTDVSA-N 443.522 0.572 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301497472 XUCAWFYRYQOFRG-AEFFLSMTSA-N 426.525 0.584 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359044040 SGRLMYAUPMFOMT-MJGOQNOKSA-N 439.520 0.752 30 10 ICEE C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1467244044 DVMMNORKIYSKDJ-CYBMUJFWSA-N 431.474 0.580 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 1468894330 JTKXILIXELEXSV-OAHLLOKOSA-N 435.506 0.499 30 10 ICEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCC#CCN(C)C)cc2)CC1 1477756495 PSRHOQKBXMSVCQ-UHFFFAOYSA-N 429.565 0.636 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1507634657 OQTOMGAINAGSFJ-JKSUJKDBSA-N 442.607 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCS(C)(=O)=O)CC1 1507736144 FQUDTCQJGMRXGF-UHFFFAOYSA-N 430.534 0.741 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507952937 CBWKAZBKDBGNMO-HOTGVXAUSA-N 445.611 0.912 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCO[C@@H]1C 1539306843 LDWJCYYMQZNJOG-VGOFRKELSA-N 432.488 0.924 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1541033255 VRLQXMNKZHCDMQ-SFHVURJKSA-N 445.549 0.861 30 10 ICEE O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccc(C(=O)NO)cc1 1568181285 OOTDOMJBDFKRER-UHFFFAOYSA-N 439.515 0.747 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1593637166 ZHDXVUQFWBSLSC-HZMVEIRTSA-N 425.555 0.906 30 10 ICEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1594963633 VXXCSDBSJFHXHD-AWEZNQCLSA-N 449.624 0.181 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1595551837 WIMCSRIGBJYXOJ-CABCVRRESA-N 426.543 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1595789374 RLPUOHFNCZVYQP-ZDUSSCGKSA-N 426.543 0.181 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 1644281338 AJXDNGYTBZLKST-UHFFFAOYSA-N 433.939 0.359 30 10 ICEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)O1 1649588248 DIZMNLMKVDPQRZ-LUXYFRNMSA-N 426.543 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 1665528998 RNEYMPIYIZZHNP-UHFFFAOYSA-N 426.340 0.990 30 10 ICEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1nn(C)cc1I 1681080698 DTJWBVHHDMMBQK-UHFFFAOYSA-N 442.265 0.976 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689989738 IDVKDSANLQHBQU-IRXDYDNUSA-N 438.550 0.340 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCOCC2)CC1 1690113621 PDAWDUCBVVBZMK-HSZRJFAPSA-N 446.596 0.796 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCS(C)(=O)=O)CC1 1690148352 DIFOFVRSQYFQHS-UHFFFAOYSA-N 444.561 0.664 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691181614 WXFCAVQCGXNTSA-DNZUHHBVSA-N 442.524 0.607 30 10 ICEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1=O 1696874938 UBCMHUOGEJFONL-YJYMSZOUSA-N 429.506 0.477 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705532322 LQSFQODLNUHYAF-KRWDZBQOSA-N 436.582 0.240 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705581348 ZETJRUVCSWGICI-OKZBNKHCSA-N 438.511 0.648 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)CC1 1705634759 IEBJAUIHCXHWDF-JOCHJYFZSA-N 432.569 0.990 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCS2(=O)=O)CC1 1705641574 KYEAHBTVLZOJHB-UHFFFAOYSA-N 449.606 0.425 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705893571 AOCZNFQNXNAIBU-MSOLQXFVSA-N 445.568 0.363 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705905097 JQWURGSHHVRTGG-IEBWSBKVSA-N 425.537 0.723 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2(O)CCOCC2)CC1 1722428907 CPGVNHWBLFMQMO-UHFFFAOYSA-N 432.569 0.883 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2ccnc2C)CC1 1722565926 FUZSXGZJRVCNMS-QGZVFWFLSA-N 435.554 0.973 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722691937 CLFUENPMDVLAEB-BTYIYWSLSA-N 434.541 0.883 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CCO1 1729680788 HWCUSLQKWLHNFV-GOSISDBHSA-N 449.471 0.677 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740623694 ZJSJAMPZYDCNQC-XIRDDKMYSA-N 434.566 0.339 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1740671789 OPFAVUXYIUAZNS-KRWDZBQOSA-N 426.587 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC=C(C)C)CC1 1740696047 LANVCPLCZIIXEF-GOSISDBHSA-N 436.582 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1740994038 HNKNMKLKNDUQOQ-QGZVFWFLSA-N 449.581 0.832 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1748751211 DGOHOQWZXHDNCR-GOSISDBHSA-N 438.598 0.991 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1748784387 MCEZGOIJCUJXKI-UHFFFAOYSA-N 443.533 0.855 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 1749676243 JSTCZUJFXOWGQD-UHFFFAOYSA-N 425.537 0.867 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749678092 VUZSRNDSPZTAMI-UHFFFAOYSA-N 449.519 0.296 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(=O)NC)CC1 1760260718 CYLYZVMPUDNSFV-UHFFFAOYSA-N 443.577 0.797 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1772566347 AAMZCVMDBRHLBD-AWEZNQCLSA-N 428.497 0.781 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)C3CC=CC3)C(=O)C2)C1 1854354137 FXNLUXDHJSUOLH-GOSISDBHSA-N 428.514 0.958 30 10 ICEE CC1(C)OB(c2cccnc2N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2232319531 DGXABLLRPODUOL-NEPJUHHUSA-N 442.247 0.740 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)n1 2255844080 QEUJISIYUPJINK-UHFFFAOYSA-N 433.318 0.950 30 10 ICEE COc1cc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)ccc1O 101443440 LXFSSCMDIJZZIG-WFASDCNBSA-N 438.444 0.410 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CC2)CC1 433956987 GMGUIXJAPVHYTI-UHFFFAOYSA-N 433.534 0.439 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 463893872 BYPYKNWSSWDHQB-UHFFFAOYSA-N 427.465 0.506 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CC1 467408420 QUEJLSZCDIDURQ-INIZCTEOSA-N 441.525 0.850 30 10 ICEE CN(C)C(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 510311912 ZXTMBJWCQACOCS-UHFFFAOYSA-N 447.561 0.191 30 10 ICEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)CC2)c1C#N 518850385 CIXDLXZSZFOQNN-HIFRSBDPSA-N 426.568 0.873 30 10 ICEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1 548222011 FJHRMFUAWMOZRE-HNNXBMFYSA-N 436.490 0.790 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 549911324 VRIKFRBBTJRGOA-VQTJNVASSA-N 434.562 0.974 30 10 ICEE Cc1ccc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 557462533 DYZNTEAEGPOWNJ-UHFFFAOYSA-N 428.536 0.198 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749856914 PFADXHNJDQDSDW-HNNXBMFYSA-N 442.541 0.661 30 10 ICEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 783001259 LMNXZPNTQOKIQE-OAHLLOKOSA-N 448.528 0.857 30 10 ICEE COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794582391 VZWOCRFNXLUDKD-OAHLLOKOSA-N 438.509 0.703 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 800668606 VUBSLPXOCBSBQT-ZFWWWQNUSA-N 442.563 0.339 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1161126346 CUSUTTKQOWQCPJ-MRXNPFEDSA-N 437.518 0.964 30 10 ICEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1214205162 AKTJHOKZWDMDGB-MRXNPFEDSA-N 443.547 0.656 30 10 ICEE CC(C)OCCCNC(=O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1251788577 CEOXHPFHTJYMHZ-CZIZESTLSA-N 435.525 0.866 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286410056 WALRBRBNNIZJLC-HSZRJFAPSA-N 431.500 0.331 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286814025 HZOPVERYRRATQX-SJPCQFCGSA-N 437.566 0.712 30 10 ICEE CO[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1299816889 FNMYNRORRHUDED-AUUYWEPGSA-N 432.506 0.804 30 10 ICEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301074886 AGEBSBCPJACDJW-KRWDZBQOSA-N 442.499 0.978 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1301842454 COVVTTRRHBGFBO-AWEZNQCLSA-N 432.506 0.798 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC[C@H]2CCCN(CC#N)C2)C1 1306652964 WNZHWCZSRBAFGT-HZPDHXFCSA-N 428.555 0.762 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCOC1 1314702128 SZIOOGBJCZGJLH-WBVHZDCISA-N 439.476 0.942 30 10 ICEE CSC[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1349455369 AGVWJFINNRDKGW-VNHYZAJKSA-N 446.533 0.963 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1359298260 SRTVTRFBZHLVID-UHFFFAOYSA-N 434.504 0.943 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359336681 YOZFRWWFHCCIQO-RRFJBIMHSA-N 434.584 0.988 30 10 ICEE C=CCc1cc(CNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)cc(OC)c1OC 1442519224 KLHARJOSFPLXMA-GUDVDZBRSA-N 428.489 0.972 30 10 ICEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1521154545 DXQOKCQCXOCAMG-LJQANCHMSA-N 436.538 0.080 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539222841 XIOYEAHHTFUBKG-QRVBRYPASA-N 449.577 0.667 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539498303 RTTGOVBNQYJHMC-ZBFHGGJFSA-N 437.595 0.431 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC1 1539891158 ZSWLSBMGHLMQNA-HZPDHXFCSA-N 438.554 0.292 30 10 ICEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1546538749 HWBMRJYFYCRGKF-NRFANRHFSA-N 444.561 0.584 30 10 ICEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1548270852 SZAPOCYMGNIMAB-HUUCEWRRSA-N 425.497 0.642 30 10 ICEE CN(C[C@@H](O)CN1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1566235360 QMASIDAKGJJLOA-QGZVFWFLSA-N 437.338 0.908 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1588228630 IGCTXYMNZMIRQQ-SFHVURJKSA-N 427.530 0.873 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1618840537 SFCCUYWYVBKXAO-JKSUJKDBSA-N 429.506 0.081 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618848439 YHGSTRLEMLNQBF-MRXNPFEDSA-N 446.537 0.272 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1619964418 QSSCUABDRJSJQP-KRWDZBQOSA-N 441.536 0.736 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1648155918 RNNPETCNKPEKIS-GKDNMFGBSA-N 437.518 0.365 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCC2)CC1 1690135268 UBZHGEOICNBVPK-UHFFFAOYSA-N 429.569 0.866 30 10 ICEE C#CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1690186990 YHXOZNPGDLZPAO-PXNSSMCTSA-N 437.566 0.638 30 10 ICEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690320210 NKZQDVWYCCQZHE-UHFFFAOYSA-N 434.541 0.678 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1690715875 XBUOCRYZPHPXHO-UVPYHEFZSA-N 443.595 0.724 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1693871355 HWULAEQDEMHNSY-MGPUTAFESA-N 446.533 0.438 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1705494978 JAEYIDBKJMTBFU-PBHICJAKSA-N 446.533 0.216 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705534391 HEQFPZDYGCWBKN-ZACQAIPSSA-N 441.554 0.265 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705565618 IILNQABFXOLQDB-INIZCTEOSA-N 443.595 0.454 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1705621744 MZNSHJKHGNVCLZ-HZPDHXFCSA-N 449.533 0.814 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCN(C(C)=O)CC2)CC1 1705647882 ODNXFPAWIHFAPQ-UHFFFAOYSA-N 427.553 0.285 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705700395 SQXXVTZHCRPFFP-LHHMISFZSA-N 437.566 0.828 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705724936 ZYYZVGQCZRDZRQ-IRXDYDNUSA-N 433.557 0.469 30 10 ICEE COc1ccccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1711987123 DLHLGXVHTFVYCO-GDBMZVCRSA-N 434.522 0.868 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cnnn2C)c1 1722310583 XAGFWZMFYOWHRC-UHFFFAOYSA-N 428.460 0.968 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1722405300 AJAUQIAFFBIEGM-UHFFFAOYSA-N 428.522 0.832 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1722699306 FZEGBJWIZICNKU-OAHLLOKOSA-N 448.474 0.791 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1728815799 GNNVRSZUJGHGFN-VQIMIIECSA-N 439.538 0.484 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1729687711 ACIQTBGPKCSARD-XMSQKQJNSA-N 440.504 0.841 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnnn1CC1CC1)[C@H]1CCS(=O)(=O)C1 1740628686 ZOXFONWSPJGYKZ-INIZCTEOSA-N 446.581 0.938 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740813413 GDAXXYGILDIEKE-UHFFFAOYSA-N 449.943 0.424 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1740965733 RVVPNZDMBWNHGF-LJQANCHMSA-N 428.484 0.620 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1Cc1ccc(C#N)o1 1741941825 POXJEXJXOGSLOS-CQSZACIVSA-N 433.538 0.933 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748964846 LLCHGTXQUXDEFC-GOSISDBHSA-N 432.550 0.631 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1760110370 CSMXAGJPTBFGSL-MRXNPFEDSA-N 449.515 0.899 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1760126516 ATRFRJDGENOOPO-TWMKSMIVSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760184244 HUSBWQZDZNACDH-INIZCTEOSA-N 430.534 0.835 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnnn2C)CC1 1760272908 DOGWXAARPCJBCO-WMZOPIPTSA-N 442.524 0.145 30 10 ICEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1764213509 QCRZMWRPNQXHIR-SFHVURJKSA-N 437.504 0.780 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1770978509 JXYAPBNDILOKMI-HMFYCAOWSA-N 443.504 0.964 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCCO2)nnc1N1CCS(=O)CC1 1771564569 NDDAICQUYIPBSA-FWWJWKNHSA-N 434.522 0.615 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2=O)CC1=O 1854017994 IGMFTYKBSCAFAX-LBPRGKRZSA-N 427.429 0.359 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(F)cc3Cl)C(=O)C2)C1 1856850075 KIOODTGEGZXAGP-ZDUSSCGKSA-N 428.873 0.691 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593637 KSGFQZHZZBEOOB-SQNIBIBYSA-N 445.516 0.359 30 10 ICEE N#CCC(=O)N1CCC(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169871668 LJZGYHZAXGDSDB-UHFFFAOYSA-N 427.417 0.992 30 10 ICEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 478754297 NYKUDDBXYAYKCH-INIZCTEOSA-N 427.530 0.648 30 10 ICEE C=CCNC(=O)CN1CCN(Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CC1 485006787 BCBRNDLLXFTTCA-UHFFFAOYSA-N 427.431 0.962 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 492786283 XXOFJHANGWSHKR-FDYSRKEFSA-N 441.598 0.500 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(OC)ncn2)CC1 555248675 YSSAPDVIZMYPPK-CQSZACIVSA-N 436.542 0.590 30 10 ICEE C=C(C)CN1CCC(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 557769081 XPNYADUCTGIROX-UHFFFAOYSA-N 446.573 0.746 30 10 ICEE Cc1nc(S(=O)(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1C 608853640 PNQNAGJPDNVQCD-OAHLLOKOSA-N 448.530 0.419 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(c2ncccc2C#N)CC1 725768974 QCLSXLUMEUALPF-UHFFFAOYSA-N 442.501 0.891 30 10 ICEE CCCCOc1ccc(C=NOCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1OC 732066530 RFPPUOZONWZTSH-UHFFFAOYSA-N 428.511 0.572 30 10 ICEE CCN1CCN(c2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 737305279 GJMQMTXSOPHQNV-FMQUCBEESA-N 440.504 0.410 30 10 ICEE C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn3ccccc23)c1=O 758077087 ROYGHOITPASHTO-UHFFFAOYSA-N 426.461 0.727 30 10 ICEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 764262781 YPHIEFAXEPTHFY-WMLDXEAASA-N 433.534 0.901 30 10 ICEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771298784 XSQBFFZGZCQEDD-VFNWGFHPSA-N 449.529 0.972 30 10 ICEE NC(=O)C1CCN(Cc2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1142255947 SROZELBSRBEQBJ-XTQSDGFTSA-N 439.516 0.917 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1286296290 NXXPWIJYFYDPLD-CJNGLKHVSA-N 436.538 0.976 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1286395712 UDPKKVPKHBHSQV-FXAWDEMLSA-N 431.518 0.042 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1288775269 CNSIECODDLWOFA-CQSZACIVSA-N 445.549 0.923 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1288869541 IHDAKXOEQINTIH-GDBMZVCRSA-N 442.542 0.203 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1291232572 OWMQSTMIRCQDKA-DPHDRGAJSA-N 436.476 0.533 30 10 ICEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300347577 BLIFWDCQSGSKNC-OAHLLOKOSA-N 427.896 0.944 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504301 LMKIKCIKTDGBOX-HNNXBMFYSA-N 435.554 0.836 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(N)=O)nc2)CC1 1300683342 ZXMFREULDQOODW-UHFFFAOYSA-N 438.536 0.494 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C 1316206190 MCTSGAVIXLCKCX-MRXNPFEDSA-N 442.524 0.684 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2COCCO2)CC1 1359047011 NPJOXBBYZQYHKV-IBGZPJMESA-N 441.536 0.521 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509021675 MMTBCKAFDNDCAT-DNCJFXNASA-N 429.481 0.959 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539744779 WOGSYLJOFFVTEF-HUUCEWRRSA-N 431.497 0.295 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)C1 1540892320 JPCNINMYSQKFAG-CVEARBPZSA-N 446.533 0.504 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540902811 QZPKWSVPQHCJCN-RDJZCZTQSA-N 425.555 0.830 30 10 ICEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1584109044 UQQVQSSMEHSSNN-UHFFFAOYSA-N 449.510 0.370 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588054934 QFGILEFGJUDTFI-IRXDYDNUSA-N 444.561 0.918 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1588233998 YCGCBLCUVLEFBA-INIZCTEOSA-N 437.591 0.970 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589070719 WYLCRXRRDQQWOL-IAGOWNOFSA-N 439.607 0.851 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1595556700 ZIYIFSOLOHXSKP-GOSISDBHSA-N 426.521 0.701 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCc2cnccn2)CC1 1632843427 TVUVOVCYWZATKP-UHFFFAOYSA-N 442.545 0.682 30 10 ICEE COC(=O)C1([C@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CCC1 1636122717 JUUZFHGYTYLTQB-VFNWGFHPSA-N 449.529 0.922 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 1643372643 VJBJZVQYMPEVMN-LJQANCHMSA-N 428.555 0.635 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1644447948 YATYMLGYROANCL-UDITXYAMSA-N 438.484 0.933 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cn(C)c(=O)nc1O 1664193746 GNPGTCXXADWNRC-UHFFFAOYSA-N 426.495 0.509 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1689949264 WZBCEORMQCAYTA-HXUWFJFHSA-N 433.534 0.978 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1705516924 LHZXFCZADYFGTG-KXBFYZLASA-N 438.554 0.116 30 10 ICEE CCc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709093501 NIQUAZBRBZDUFR-YWMAMYRUSA-N 428.497 0.407 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722362397 UABOOFMBOKUKLD-INIZCTEOSA-N 426.506 0.567 30 10 ICEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722627868 PEJSRPNEQHYEQV-UHFFFAOYSA-N 446.552 0.646 30 10 ICEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1728754035 FRESXFOAXSEBBI-JCGIZDLHSA-N 427.527 0.218 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1730957479 XEZIGGWMBGTTJL-KSZLIROESA-N 434.541 0.842 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1740590092 FJANXRVKWXVPCR-IAGOWNOFSA-N 448.553 0.457 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740960044 JRUHYBIGTGMBBT-SFHVURJKSA-N 442.568 0.757 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1740963371 ITUXGESTACDQRC-UHFFFAOYSA-N 443.533 0.383 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1749665710 AHNNXXFGFAULEQ-ZDUSSCGKSA-N 438.492 0.714 30 10 ICEE C#CCN(c1nnc(C)n1CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760181669 ZMKMMQRZIPGEDI-MRXNPFEDSA-N 437.547 0.103 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528962 RTYIODLCCFWBST-XMSQKQJNSA-N 448.568 0.533 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1769896914 UAEKKTSBNXBYFA-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1772566348 AAMZCVMDBRHLBD-CQSZACIVSA-N 428.497 0.781 30 10 ICEE C=CCN1C[C@H](C(=O)N2C(=O)CN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1857264625 ICLSUQUSUGXBIX-HZPDHXFCSA-N 431.514 0.835 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)CCCNC(=O)c3cccnc3)CC2)CC1 1890442614 KKUHUUBTQHEZOD-UHFFFAOYSA-N 441.576 0.850 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255544389 YWLDLZWAQSKSPD-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE CSCCCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 247489861 BCKVEYJAKFQMSW-ULMVMLMRSA-N 431.470 0.855 30 10 ICEE CCCOc1ccccc1C=NNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 254301555 SSSPWAWBWMVYGZ-FVQSIRDASA-N 443.464 0.255 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)CC1 443689677 CYEVHESOVADNQE-UHFFFAOYSA-N 438.550 0.330 30 10 ICEE CC(C)n1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473275724 JEKZNMPRWQHGNA-UHFFFAOYSA-N 430.490 0.807 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 514523755 OAFMXSMPNVLGBV-PBHICJAKSA-N 445.516 0.882 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1nn(C)cc1C#N 580358027 SNBBFLCUUINXOJ-UHFFFAOYSA-N 432.506 0.879 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 605408950 WOEIKDXQEOHXCY-UHFFFAOYSA-N 444.536 0.409 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 616176455 CHNDZNVXKDJWLW-OAQYLSRUSA-N 445.589 0.755 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 679532594 ZUKFSHMQXTYACA-UHFFFAOYSA-N 441.506 0.364 30 10 ICEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707225 VVRTVEUJYWWFDZ-HNNXBMFYSA-N 448.549 0.140 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 747337949 YHINKIBAZAHTKL-QGZVFWFLSA-N 443.529 0.809 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 760849535 XYNSGFFEXFIVHL-CVEARBPZSA-N 441.550 0.541 30 10 ICEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cn1 771553862 ROJDISYNHWXUHS-ZDUSSCGKSA-N 430.494 0.457 30 10 ICEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 784544820 LZFWWFZUPQUNML-UHFFFAOYSA-N 443.547 0.064 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250129 JDOOESUSKNGXNU-UHFFFAOYSA-N 449.483 0.332 30 10 ICEE COC(=O)CNC(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1156432112 PBCBEOAJXWLAIA-GOSISDBHSA-N 430.461 0.798 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300484662 UOYFLMAWWCYFSO-GOSISDBHSA-N 440.529 0.968 30 10 ICEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1301304569 DPOWNENZHQLRHJ-UHFFFAOYSA-N 425.493 0.286 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C=C)CC1 1301568382 FXGQPEMSJODEIQ-CQSZACIVSA-N 431.584 0.892 30 10 ICEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1302124844 VRCPYIWWMYIRJM-KXBFYZLASA-N 436.488 0.883 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1316529416 DTWXFFYKUWBRKI-WBVHZDCISA-N 428.518 0.953 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1469763443 ZMZHSKMEESMFBK-XAUMDUMWSA-N 427.486 0.633 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCOC34CCOCC4)CC2)cc1 1479538359 KOUNCUAAUIUZTO-GOSISDBHSA-N 434.518 0.912 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507751147 KPLASNWQXZTTMB-IKGGRYGDSA-N 440.591 0.931 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539516712 AVJNTGFJYUNFLI-QGZVFWFLSA-N 446.577 0.419 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539517639 QFOYSLNKTBMKAJ-ZWKOTPCHSA-N 432.594 0.891 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626873 GTRLQVAEKOMFKF-ZWOKBUDYSA-N 445.568 0.421 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)CC1 1560162073 XFKWNJAHAAOQEJ-OALUTQOASA-N 438.525 0.016 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1588083902 LZVVCWPFSJVVDQ-GOSISDBHSA-N 448.593 0.606 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(I)ccc2O)CC1 1588199438 ORRVYBKEQGMBRY-UHFFFAOYSA-N 449.270 0.222 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1588732615 DXVLOZNOABOTLG-XMSQKQJNSA-N 430.553 0.900 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1595393116 INCAJRFFFAUFAB-IEBWSBKVSA-N 426.521 0.977 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595544764 LBOWGKRWPGJNLU-GOSISDBHSA-N 445.568 0.566 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1595602120 FJULZLJIRLHMDO-JOCHJYFZSA-N 441.536 0.954 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1618739449 QDIRNVRIFGXXDE-ZZEZOPTASA-N 438.492 0.829 30 10 ICEE C#CCN(C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1628819552 BQWKINKVVFQJNL-ZACQAIPSSA-N 427.567 0.728 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)CC1 1671166686 YSKIROSVWNKSBK-UHFFFAOYSA-N 432.506 0.557 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1689994444 YGLFGWUFEJRXEQ-QGZVFWFLSA-N 430.534 0.369 30 10 ICEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1690046700 FMKRNUOUQFYOEE-XMMPIXPASA-N 448.575 0.982 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCC(O)CC2)CC1 1690110716 XEJAPTHNWNTDHE-UHFFFAOYSA-N 445.612 0.799 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCOC2)CC1 1690138200 VHQGMXSNUXRRBD-KKSFZXQISA-N 435.525 0.119 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690156202 UAMSKFHYYMMDMN-ARFHVFGLSA-N 443.595 0.639 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2n[nH]c(C)n2)CC1 1690375626 PILDMUFGOKWJSY-OAHLLOKOSA-N 436.542 0.437 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690669349 BCPADSQLEFORGL-OAHLLOKOSA-N 432.529 0.115 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690669893 ROKLEMSOMNYNEO-QWHCGFSZSA-N 429.447 0.604 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1697925953 FDSPYQJULOLVFS-JOCHJYFZSA-N 442.520 0.899 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705736007 ICVLVCKRJVTBEG-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1705907358 JQWVHXKXRVOXSS-UHFFFAOYSA-N 426.521 0.661 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705908049 GJFMIEJLDXTDOU-MJGOQNOKSA-N 447.584 0.496 30 10 ICEE C#CCCCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722330035 IHLPUOBDRRUTAI-UHFFFAOYSA-N 434.504 0.825 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1722365521 FFRNXXHXLFZQGR-NVXWUHKLSA-N 435.550 0.468 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722697229 XTMKFTBZWKOEMA-MRXNPFEDSA-N 445.549 0.647 30 10 ICEE C[C@@H]1COCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726743570 MRJUXEUDWVYMIS-ZFDMEJTGSA-N 429.481 0.266 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1740610857 NFYJWFVHYHSFPU-QGZVFWFLSA-N 433.490 0.457 30 10 ICEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749383851 JOHNQCZBGRPTGH-KXBFYZLASA-N 425.555 0.961 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1760185698 BJBPUTPEGIFRLT-KRWDZBQOSA-N 435.554 0.277 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760356431 NFTPTWVODFWXSR-GOSISDBHSA-N 445.568 0.566 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1764187921 POLFWRACTRAVEC-INIZCTEOSA-N 429.481 0.835 30 10 ICEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1764650663 AVVZVRRHKYRIEM-AAEUAGOBSA-N 425.540 0.684 30 10 ICEE CCOCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766547629 UFFYSIMWMBSSCD-FBMGVBCBSA-N 431.497 0.513 30 10 ICEE O=C(CCOCCOCCOc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O 2060424381 ROUZDKMRJXPCOF-UHFFFAOYSA-N 446.412 0.525 30 10 ICEE CN1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2267519690 KANKTVWRKWKMIL-LLVKDONJSA-N 445.251 0.144 30 10 ICEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267573241 GSPOEIZVLXTWOF-ZDUSSCGKSA-N 448.329 0.876 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 509010278 IGJRDBIZQHOMQD-GJZGRUSLSA-N 437.526 0.872 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(N)=O)CC1 555268533 HQLWCIBHMAUZFM-INIZCTEOSA-N 440.570 0.669 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729668640 BIOWTKDAECLFBC-UHFFFAOYSA-N 439.541 0.869 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)[C@@H]1CCS(=O)(=O)C1 730212898 FFZHUAWYPZKKID-HZPDHXFCSA-N 441.575 0.708 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 740757270 ZXTKGAFVTWJOKH-UHFFFAOYSA-N 434.928 0.728 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 748699807 FIANWJPVRLEEIX-CYBMUJFWSA-N 430.935 0.997 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)OC)CCCN(Cc3ccccc3)C2)C1=O 755613746 NNTBFDZFMOBGQI-JOCHJYFZSA-N 442.472 0.287 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1 760981428 FHJPDXFXDOITLM-GJZGRUSLSA-N 426.495 0.996 30 10 ICEE Cc1cccc(CN2CCO[C@@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)C2)c1 1254326171 XOPXABIRWMOQGL-SFHVURJKSA-N 426.477 0.329 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1286467710 UAWPOAAEVKOUMW-IAGOWNOFSA-N 438.550 0.809 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1286547138 NJFQFGWXOUORGT-DLTWYDFYSA-N 440.570 0.536 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1288825381 DINZKIFYARLQDR-KDOFPFPSSA-N 443.549 0.177 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 1297649218 AWUHVSUYSZJLNZ-DZGCQCFKSA-N 449.620 0.979 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1300884676 LMPPXIFFJFCWME-VPWXQRGCSA-N 446.552 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1301500510 MYDHWDRROUXLHP-DNVCBOLYSA-N 425.555 0.878 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1358912958 CAZXXSGHYYAGAR-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1358955181 GIHGLBLYQWYDRB-INIZCTEOSA-N 446.533 0.495 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](COC)OC)CC1 1359046471 SQOUWDJIHRHMOT-LJQANCHMSA-N 426.521 0.891 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@@H]2C)CC1 1359046961 MDJUTKNOBBRSMX-GAJHUEQPSA-N 442.564 0.917 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nccnc2SCc2ccccc2)CC1 1471451127 NOVRCGDRHBFSNF-UHFFFAOYSA-N 431.543 0.994 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1504993008 BWIRFIZSTPUPHD-GGPKGHCWSA-N 447.584 0.899 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507635599 UERLAKPGBWKPPN-JYRCXFKTSA-N 435.575 0.659 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)c2ccccc2)CC1 1507719697 AHDZWEHGTCXRHG-SFHVURJKSA-N 445.593 0.780 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1513408047 GTGBKGGQGSJXBK-HZPDHXFCSA-N 438.554 0.893 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)COCCO2)CC1 1539488106 HHCHXKOTQFQSFX-JOCHJYFZSA-N 444.536 0.172 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1 1586661999 YRBGXDPOAPEEBW-UHFFFAOYSA-N 429.454 0.738 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1587989886 PYBBXOWNCXTXED-CVEARBPZSA-N 433.538 0.455 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1588138522 FAVBELOHHCEVEO-LJQANCHMSA-N 439.541 0.612 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1594784009 OCCLZTPCXNUDMF-XHSDSOJGSA-N 440.570 0.728 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1615143614 BPVDSQVCHOIFRI-IEZWGBDMSA-N 431.541 0.657 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)n[nH]2)c1C 1618476893 UTUKIAXNYYQGLA-QGZVFWFLSA-N 441.536 0.739 30 10 ICEE C=C[C@@](C)(O)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1623918438 AMBPFCMUUNGKEB-GOSISDBHSA-N 445.925 0.695 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)s1 1625085697 DURJFZOVWLJFIB-KUNJGFBQSA-N 442.588 0.821 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCc3ccccn3)cc2)CC1 1629781709 GIPYHBXKVYYDEF-UHFFFAOYSA-N 443.529 0.955 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1661771774 WVWVMKYTINGULR-KRWDZBQOSA-N 442.582 0.473 30 10 ICEE Cc1c(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)sc2ccc(C#N)cc12 1667532201 CYFLAWXQDQUNBS-UHFFFAOYSA-N 428.561 0.676 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)CC1 1690113945 YOBSQMXIOISZMD-FCHUYYIVSA-N 433.553 0.879 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1692778920 AEIUTRBALVTFNN-KBXCAEBGSA-N 443.549 0.441 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1696053148 GKGQXUUVSQYXCI-SJORKVTESA-N 430.506 0.264 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C(C)=O)CC1 1698254272 KCJFXHUXOQOLBV-FHWLQOOXSA-N 432.525 0.989 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705565224 HEGOJGHYCKEIGI-GKWFENNMSA-N 440.591 0.710 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1705566824 QRHFARPZIPRROS-QDNWOOLPSA-N 426.564 0.773 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705905387 TZHSLQZTBVYLLL-INIZCTEOSA-N 432.912 0.776 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCSC2(CCOCC2)C1 1722692010 DNLTWHVBRBDCRU-UHFFFAOYSA-N 434.566 0.919 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1722701610 XCMJMPDEOPIFOL-GOSISDBHSA-N 426.521 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722728111 OFLFBRXBDLYEGU-CRAIPNDOSA-N 444.579 0.398 30 10 ICEE C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1723968778 IBOGCAUQLGVKDH-JCGIZDLHSA-N 442.517 0.214 30 10 ICEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1729713236 FQWAQHIHELGVBH-UHFFFAOYSA-N 441.492 0.160 30 10 ICEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729917709 DTAVQFGYVXDSQX-SBRPPBIPSA-N 443.508 0.761 30 10 ICEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCOCC1 1730886836 WBDFHAJCMGFYHV-UHFFFAOYSA-N 440.504 0.965 30 10 ICEE CCN1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1746411497 GITRSXMMJIBRCH-GVDBMIGSSA-N 439.586 0.834 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749230164 UKFMIGKDFMBFDY-DLBZAZTESA-N 441.554 0.114 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749369103 UVRXYSCCMMMXBF-HUUCEWRRSA-N 430.506 0.335 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(F)F 1760116270 GNMOGKAAVSBZSF-ZIAGYGMSSA-N 435.497 0.741 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2cncn2)nc1)[C@H]1CCS(=O)(=O)C1 1760185764 CSDTWDDHCPJMPM-INIZCTEOSA-N 426.506 0.491 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256055741 CSQMNEWLZLGVRV-STQMWFEESA-N 434.302 0.486 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=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 428007633 XCYJYLMTALHUEO-WXGYIIEBSA-N 427.526 0.850 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 508913748 QGWDSVLOFIKIBE-RVKKMQEKSA-N 427.527 0.181 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1C[C@H]1CCCO1 543951158 SVXAOSQAPUSBHI-OAHLLOKOSA-N 445.928 0.926 30 10 ICEE N#Cc1cccnc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 585246285 QRVBESCTKCFXJF-UHFFFAOYSA-N 428.470 0.878 30 10 ICEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 737197542 FUKBXLMUGDKTLM-OAHLLOKOSA-N 435.506 0.594 30 10 ICEE C[C@H](C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)n1cnc(C#N)n1 798441194 MOUOEKHSAANXJD-CYBMUJFWSA-N 432.462 0.034 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 802142748 DQCDTTDUURWZBS-FZFLATATSA-N 425.445 0.940 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 1152967861 SMJIEMRRBMFDFT-HNNXBMFYSA-N 434.547 0.272 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)CC1 1194096252 DGRZUMBCHIYAJZ-UHFFFAOYSA-N 429.564 0.767 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 1221557872 JRKBAZYMOISFOT-MRXNPFEDSA-N 439.969 0.961 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286481104 RYSVXCSQPZEECT-OALUTQOASA-N 448.593 0.194 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1286940234 AVUALLSSVCNPFW-LJQANCHMSA-N 437.504 0.684 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286964391 AHYGATHZFQONAC-OYHNWAKOSA-N 436.520 0.854 30 10 ICEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1293126923 GDTNXROKHRDWLE-UHFFFAOYSA-N 431.566 0.926 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1300805452 DBKVYRVKROEWJN-RHSMWYFYSA-N 429.568 0.064 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1507616094 FTZLRBIMILAEAV-GOSISDBHSA-N 447.561 0.956 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1507631674 FWDYJLWBFDDZQO-HZPDHXFCSA-N 444.579 0.234 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)NC 1507761166 JZWXWPLTTSKKTC-RTBURBONSA-N 425.555 0.860 30 10 ICEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1508010188 NEVOKCNVLTTWON-AWEZNQCLSA-N 431.584 0.892 30 10 ICEE C#CCN(c1nnc(CC)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539219252 HOZZRZXFPWKFQF-LJQANCHMSA-N 436.626 0.885 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1540866878 DDKMQFWZVRWDIK-UHFFFAOYSA-N 441.492 0.480 30 10 ICEE COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555398415 OEYOWJSILHQHNZ-CPUCHLNUSA-N 435.506 0.933 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588050895 XEVQYESORYTSOF-OAHLLOKOSA-N 437.547 0.320 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1596212214 FHWMQPDMNLZAIK-KMMVWKSPSA-N 443.508 0.365 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1642908541 DNJOTKQOEMKWJK-VXGBXAGGSA-N 433.280 0.372 30 10 ICEE COC1(c2cnnn2C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1643946417 BNOZVKBOWCLGPX-UHFFFAOYSA-N 444.517 0.472 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1690019685 PCYMXLUOSKUDSB-LJQANCHMSA-N 445.589 0.898 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690203152 SAJCLQFWQYJISM-HSZRJFAPSA-N 446.515 0.934 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1690673977 KZPVQTIVSUXSLS-UHFFFAOYSA-N 436.520 0.877 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC)C1 1690699327 CQZBCUFQDYPMEB-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692534556 LRTCLCQHHUUNEO-HFUDNHEJSA-N 431.497 0.558 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705633203 LWFYRZDFGGMKBW-BZSNNMDCSA-N 438.598 0.705 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705894680 HGWBYUNSPSEGAE-CQSZACIVSA-N 447.521 0.241 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)CC1 1722560365 XVERVILHTDOHMT-INIZCTEOSA-N 439.586 0.209 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)OC)c1 1740563445 ZJNGZHKLRIJBJV-HUUCEWRRSA-N 448.549 0.979 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1740623233 QFSDBCJYBTVONB-INIZCTEOSA-N 429.550 0.846 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740692296 HYZYJXNIQRUICL-NRFANRHFSA-N 440.529 0.122 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1740787270 FYUSUZJMPVTIMW-HOTGVXAUSA-N 440.570 0.682 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740889097 YYWHFLSHYLUOJT-MRXNPFEDSA-N 432.525 0.302 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740958902 WQRROZDDEQOWGK-ROUUACIJSA-N 440.504 0.816 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)C1 1740982819 XHVNBTALBZISAN-MDZRGWNJSA-N 426.539 0.767 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1748809881 QBJKMRJULXWSGQ-AWEZNQCLSA-N 446.924 0.797 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748814984 MHSZCSWWCPRPIV-JKSUJKDBSA-N 431.522 0.061 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1748818435 ZPTCWVNISZOYRO-IRXDYDNUSA-N 435.550 0.325 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)CC1=O 1854494417 HXVYLUSHYPHFQS-DLBZAZTESA-N 437.562 0.582 30 10 ICEE CC(C)S(=O)(=O)N1CC[C@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)C1 1855021742 MNTVGKYJCAMTDL-IBGZPJMESA-N 432.546 0.974 30 10 ICEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855072891 PXXQJLOXMPAEKP-QGZVFWFLSA-N 433.534 0.209 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(F)c(Cl)c3)C(=O)C2)C1 1856835238 NAGILKYZHAWECX-ZDUSSCGKSA-N 428.873 0.691 30 10 ICEE Cn1nccc1[C@@H]1OCC[C@H]1CN=C(NCc1cc[nH]n1)N1CCN2CCOC[C@H]2C1 2080494529 CSUJMCAUDKGIDD-ILZDJORESA-N 428.541 0.383 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824113 BMYJSYUKYJHWLQ-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478754291 NVJADXPAKYPRNR-ZBFHGGJFSA-N 428.514 0.321 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 523767600 RUWVHFXPKAJPMV-IBGZPJMESA-N 429.521 0.426 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC2)CC1 555490758 CYFORBVJQROLCP-IBGZPJMESA-N 442.568 0.600 30 10 ICEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 588195242 WVQCCZYUOVCVSU-QGZVFWFLSA-N 448.483 0.994 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 603796866 CIRZPGLGLAKYKQ-UHFFFAOYSA-N 444.532 0.409 30 10 ICEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 737304792 BRXWDLYOFZJELR-JCFLCSRNSA-N 441.488 0.881 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cccnn2)C1=O 766416282 OKPIDOPBSDTJMQ-JQBIEYAESA-N 441.561 0.982 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 802341640 BKWJUJRRUJULNO-INIZCTEOSA-N 433.484 0.957 30 10 ICEE C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808994817 FPROHAOLVXMDJM-UHFFFAOYSA-N 431.536 0.267 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 810803892 XOTIMAWDZZKLTD-UHFFFAOYSA-N 430.895 0.919 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 813948123 DAQIKSBMZOHLSW-UHFFFAOYSA-N 429.458 0.884 30 10 ICEE CC#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1164671773 GHZDDEJQAASZRA-MRXNPFEDSA-N 448.545 0.417 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1)C1CC1 1286732227 NNWYFWVCCCNXOX-CYBMUJFWSA-N 426.543 0.325 30 10 ICEE CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1299321528 FSWXINOKQYTJEK-GFCCVEGCSA-N 425.540 0.415 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300491372 HLZCKCZSUZFEEY-NCOADZHNSA-N 435.550 0.407 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1300538390 PMUIWHGRNQDXDS-LJQANCHMSA-N 444.513 0.925 30 10 ICEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300982717 OTYZXTWJSYALRK-OAHLLOKOSA-N 428.468 0.824 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301223318 RJORAUXRMFTRFO-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301530923 ALBMKCAKAMWCAJ-QGZVFWFLSA-N 440.504 0.575 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1Br 1306455584 ZFPQZVSGOKKNFM-KBPBESRZSA-N 428.308 0.236 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1316186808 RZIJAMBKWMZYNY-CYBMUJFWSA-N 429.481 0.625 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1316539219 CNJKBUOELYIKNB-NVXWUHKLSA-N 432.506 0.748 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1359089323 GQXGMLOSJIHDAL-CVEARBPZSA-N 440.570 0.479 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CC=CCC2)C1 1505141517 PPDQWFORCWWYGQ-SFHVURJKSA-N 449.581 0.613 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1507660002 KJGCCETYXKOCAR-QGZVFWFLSA-N 434.566 0.754 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCOC)CC1 1507732786 KWEXKVWSLGNRNC-QFIPXVFZSA-N 446.552 0.267 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507753137 CHLBETBFXYANAP-UONOGXRCSA-N 443.537 0.128 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(N)=O)C1 1508136505 SXRSWBHHLMDAFS-HNNXBMFYSA-N 447.517 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508139450 GXIXHLWJPLRAFO-GOSISDBHSA-N 435.510 0.310 30 10 ICEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513310564 IPPYZEFFNIBGSW-KIJUOZEOSA-N 445.524 0.948 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1540864583 FMNCJQTWRXIOGQ-UHFFFAOYSA-N 448.549 0.612 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CC2)C1 1540897308 GNZZTJYLMLEMDH-UKRRQHHQSA-N 431.584 0.725 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)ccc1F 1558323928 BFBRLYFBLIBWKN-UHFFFAOYSA-N 426.514 0.526 30 10 ICEE O=C(NO)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1 1568181002 BWCUKDBGHKPUKU-UHFFFAOYSA-N 439.515 0.943 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cc[nH]n1 1587630203 HAZIPKQMVFVFFY-CTYIDZIISA-N 434.474 0.815 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588028788 AASLNFMJQWUOMW-OAHLLOKOSA-N 430.534 0.745 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588029197 FCHYFOLAARUDDY-OAHLLOKOSA-N 443.595 0.238 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1588059620 QZDOJQHRDVRREW-KRWDZBQOSA-N 442.607 0.928 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1588800266 BWLXZHWOCMWGHP-UHFFFAOYSA-N 430.534 0.035 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1588848987 UFEKTNZGFLABPG-IBGZPJMESA-N 443.577 0.301 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(Br)c2)CC1 1673476684 YIPMXLOACOMGFY-UHFFFAOYSA-N 429.340 0.786 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690128343 AYTQTSCOJAEHAK-LJQANCHMSA-N 428.562 0.986 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690655304 OELURNVAJCCFGA-KBPBESRZSA-N 426.543 0.074 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690673120 OSTYOTWTZJNART-SFHVURJKSA-N 439.520 0.394 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1705573614 KLFGGWPSJRKIAL-CABCVRRESA-N 446.499 0.845 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)nc2)CC1 1705632970 GEODLCRXLADIMB-AWEZNQCLSA-N 437.957 0.740 30 10 ICEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705818712 SSKBPIJVALMXKX-MRXNPFEDSA-N 429.525 0.466 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1708518931 SKPVTGPOVFNHKS-HFUDNHEJSA-N 430.513 0.779 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722700400 HWNRGARUELRIJM-UHFFFAOYSA-N 446.581 0.146 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740958580 RAQPZMWAIFMHNO-QGZVFWFLSA-N 443.552 0.760 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1740993113 YOZUTTHVMMDNBN-OAHLLOKOSA-N 426.543 0.234 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNS(C)(=O)=O 1744698359 SCFKVWKPVVDSTH-CQSZACIVSA-N 433.542 0.157 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1748671629 LZOKSYMWAFSHFH-PBHICJAKSA-N 434.522 0.521 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760174111 DPYJHHFTVSGTAP-HOTGVXAUSA-N 433.509 0.733 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1760184156 WBVAIYZCCZFVHH-KRWDZBQOSA-N 430.534 0.681 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1760357460 JNURMEHCPDAVOO-DLBZAZTESA-N 425.555 0.294 30 10 ICEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1770960333 HXFRDHLZNJKPGE-QGZVFWFLSA-N 435.506 0.625 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1771112750 WVASUFVHZXDKAY-KBPBESRZSA-N 433.481 0.971 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1771343781 LBIIGJOMRNZSEP-CABCVRRESA-N 430.490 0.356 30 10 ICEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1772516211 ZFGBQFMPHNTURU-UHFFFAOYSA-N 426.502 0.741 30 10 ICEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CCCNC3=O)cc1 1851741724 VUKQDOSYFRKFEE-SFHVURJKSA-N 439.472 0.825 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)[C@H](C)C2=O)CC1=O 1856325312 AYYDEMYJVGQQTM-SJLPKXTDSA-N 433.530 0.653 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)CC1 1889805614 MNNGRISGNBFDBE-FQEVSTJZSA-N 440.610 0.059 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 440391482 ZAWPCJGOWFVOAN-HNNXBMFYSA-N 440.525 0.825 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 490034757 OHTSQDXJUCRHTI-INIZCTEOSA-N 428.536 0.408 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCCN3CCOCC3)CC2)cc1 502784375 MWNPEFCASVXUEY-UHFFFAOYSA-N 435.550 0.687 30 10 ICEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508912961 NOLPXODWGWFSCV-UHFFFAOYSA-N 443.533 0.985 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@@H]1CCCO1 514305586 AFYNAWFGFNOLNH-INIZCTEOSA-N 431.514 0.646 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619710087 CHEKIDHGMMTZLV-LSDHHAIUSA-N 436.538 0.973 30 10 ICEE CCOC(=O)c1ccc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)nc1 732465531 HIZNEBLXGUTXML-HNENSFHCSA-N 442.476 0.616 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CCOC2)C1=O 751688777 KJRNMXKJECPEFG-JKSUJKDBSA-N 433.534 0.574 30 10 ICEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC1)C2 756125319 XXSANEGCPIHGBP-IRXDYDNUSA-N 445.589 0.885 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(Br)cnn2C)c1=O 782793044 MUHPVMYHSMPZPE-UHFFFAOYSA-N 434.319 0.068 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CC1 1226792605 HURZHNHARGSQFC-LJQANCHMSA-N 438.550 0.956 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286774613 YNQUXHJSXKFTBQ-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccn2)CC1 1286790958 QSGHDVNOGWSVRM-UHFFFAOYSA-N 436.524 0.559 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300502719 WHVMASNNUVNEBL-CVEARBPZSA-N 437.591 0.923 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCOCC2(C)C)CC1 1300683422 NVSBOJIWFWEETF-LJQANCHMSA-N 434.585 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301475477 SFCHFKSSAXSBFM-GFCCVEGCSA-N 445.446 0.223 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1301589314 QJVNANITRDGWRL-OAHLLOKOSA-N 444.579 0.540 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1359038279 PYIBUXVZDWTTBM-UHFFFAOYSA-N 442.589 0.854 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1507746274 OAXRWJVVGBYFDL-HNNXBMFYSA-N 442.611 0.703 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507751167 LGJZFSGRDKUDDC-SFHVURJKSA-N 448.593 0.129 30 10 ICEE CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516497530 UKSFXNGEYZEZDU-OGRBPBGQSA-N 429.481 0.056 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1539053187 MGIKUWNGAIUOCB-HNNXBMFYSA-N 426.543 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1539219968 GFUPZIVMZPVPBB-IRXDYDNUSA-N 439.607 0.458 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnnn1CC1CC1 1539272753 APNYMDKWGXKHQU-UHFFFAOYSA-N 435.517 0.787 30 10 ICEE C#C[C@@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)C1 1557241669 YBWBETLEZZJIBP-GOSISDBHSA-N 449.511 0.926 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 1561869533 VJOLXKJZOVDBFJ-UHFFFAOYSA-N 429.417 0.618 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 1563793702 HRBDHZRHWWWIEE-QGZVFWFLSA-N 435.550 0.379 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)CC1 1588732951 IZHIGFWIJVGTLQ-QGZVFWFLSA-N 425.493 0.486 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594812029 BOMPSJBFGYANCL-SJORKVTESA-N 441.554 0.114 30 10 ICEE CC(C)Cc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606690113 WIIJEVDYYXIDFM-LFWLKJPASA-N 441.536 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 1636479796 GZECSUWKCGSSDQ-GQCTYLIASA-N 449.270 0.509 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)s1 1644140639 VZTDWMVHAZDUJE-AWEZNQCLSA-N 428.532 0.793 30 10 ICEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 1646157299 LXJLGFBGXTXCBR-UHFFFAOYSA-N 438.502 0.325 30 10 ICEE N#C[C@]12CN(C(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1648155236 BMQCIJGEVFHKAO-VBKZILBWSA-N 443.460 0.556 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681300117 DNMFFKYVFNAMHD-IRXDYDNUSA-N 435.506 0.013 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1690046493 CETPJWMLOPGMPC-SFHVURJKSA-N 433.578 0.754 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1690104163 OJWAXESZAGOCFT-IBGZPJMESA-N 441.536 0.954 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1690206204 JQTFKPXSGXCYST-FRQCXROJSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C)C1 1690671066 OJSTXSIWVYUXIR-MRXNPFEDSA-N 426.525 0.979 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1705636971 DWYSUZBZVWDKJI-UHFFFAOYSA-N 434.504 0.862 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1722316921 OBSKUMNOKKGQTP-MRXNPFEDSA-N 440.570 0.375 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362924 XBDRAGRIJZHUOC-QZTJIDSGSA-N 431.566 0.646 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1729739872 VJUWRIYQIQKQFK-KRWDZBQOSA-N 441.521 0.799 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748812370 ULKWUHCJRZCSIN-IBGZPJMESA-N 444.561 0.689 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748993844 OJZAELSVJIWOBY-HXUWFJFHSA-N 437.548 0.514 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC 1749158741 LKLNNOOHQSPZSO-OAHLLOKOSA-N 428.559 0.540 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1752388108 MVYMKKOUMKOGIP-OAHLLOKOSA-N 434.522 0.893 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760194286 FKIFZFLMJZGXTI-MRXNPFEDSA-N 438.517 0.590 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1760248711 CUDDFWYHESZOGC-SIKLNZKXSA-N 427.505 0.943 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1760406823 MSXDYFNZVYYVTF-KBPBESRZSA-N 425.559 0.704 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCC2)C1 1770348231 HYBDSYVNHSJPKN-INIZCTEOSA-N 438.554 0.656 30 10 ICEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOCC1 1869933194 BFFSUQRWXFPRCL-OAHLLOKOSA-N 426.564 0.295 30 10 ICEE Cn1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2255623924 AQTWMHDIBFSDRZ-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2315532650 IYDRWHZWGATPCD-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 440371678 CEACWTLPMQYTOI-UHFFFAOYSA-N 440.525 0.825 30 10 ICEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)cc2C1=O 445533301 NFZHSLBDURYFGA-UHFFFAOYSA-N 430.442 0.318 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 464959251 KGJCUYTVCQPMKH-QGZVFWFLSA-N 440.552 0.513 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)c1=O 487526123 WSTLZVKKPMZXBT-GOSISDBHSA-N 435.488 0.285 30 10 ICEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508470260 BZRUQQTXDXNGLP-UHFFFAOYSA-N 436.524 0.707 30 10 ICEE CN(C)C(=O)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 540554048 OACCDHIDTDORTI-NRFANRHFSA-N 444.555 0.630 30 10 ICEE C#CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 729331361 NJMALJIAPSCZMC-IRXDYDNUSA-N 435.502 0.196 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 771126097 SEACYESQDXZESR-VBUUPXLYSA-N 437.522 0.604 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cc1 789633853 QTGBQHVPIHERSA-GLXUHCQUSA-N 436.412 0.477 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)(S(C)(=O)=O)CC1 796382537 BMAUUCBLTJFLGN-MRXNPFEDSA-N 440.566 0.999 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 814380049 RGZDZTDEHHKCEM-OAHLLOKOSA-N 448.588 0.432 30 10 ICEE COC(=O)[C@H](CC1CCOCC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1176173531 UNGOCMODSQCWMW-INIZCTEOSA-N 437.518 0.980 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286601270 JTPXQRFSPRNIAX-UHFFFAOYSA-N 445.524 0.627 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1286794137 XUWPNIIKBWPKOG-LPHOPBHVSA-N 434.541 0.751 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1297288195 RUYDCIXSAFYAIA-UHFFFAOYSA-N 447.503 0.950 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1300479815 SKWNQYFLDSRAFN-KRWDZBQOSA-N 430.534 0.681 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1300666400 YGBYKDFEUXCDQI-AEFFLSMTSA-N 426.525 0.718 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1301458601 YKKOZUSWKDETHD-INIZCTEOSA-N 426.543 0.244 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 1302924150 IQQGIRLCXAGLMG-UHFFFAOYSA-N 430.324 0.992 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCCCO)CC2)c1C#N 1304730772 IVXYKTPFBXGKLK-UHFFFAOYSA-N 443.556 0.819 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305514676 PGAOGTTVTULKKU-UDJKBAMHSA-N 445.524 0.613 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1358948968 PSCKLRIUFMTEFO-KRWDZBQOSA-N 437.497 0.876 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358956373 DXNBLPKPHJGMNR-ZWOKBUDYSA-N 440.566 0.980 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359041479 XQMQEHKMEUPHDI-UZYVYHOESA-N 439.520 0.894 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359132541 ADFNYECHYKDUOA-HNAYVOBHSA-N 439.538 0.804 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)CC1 1475620531 LHNVZWYOKRGXOJ-UHFFFAOYSA-N 425.454 0.788 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1507631499 QBOXNTWMZDDFCO-SZMVWBNQSA-N 448.549 0.357 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1507671880 RDXIFRVAHXQKPD-LJQANCHMSA-N 446.621 0.669 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1508088283 RNDZENOCHOOVEE-MRXNPFEDSA-N 431.541 0.664 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508093226 UQXGRBJLRJEQIY-NVXWUHKLSA-N 447.565 0.285 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1508122991 HDKAILCIUFMNIZ-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1539072839 XBAAVVLWNWZTDD-GOSISDBHSA-N 438.598 0.945 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539094316 NYFWLEYDLFCKHZ-BBWFWOEESA-N 426.587 0.847 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 1539429924 FYOCATYHWCQJKP-CYBMUJFWSA-N 438.476 0.570 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1539467214 OWTFSXXGACFCMT-QGZVFWFLSA-N 429.569 0.724 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC)CC1 1539477756 XUFDMJQKRIGODC-UHFFFAOYSA-N 433.538 0.079 30 10 ICEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1540029514 TXQNVTUJVLBYFH-UHFFFAOYSA-N 448.549 0.724 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540861869 JQBXZARHECHBCZ-MRXNPFEDSA-N 431.541 0.557 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1541946521 WZFXEKVBBPKSDS-RDTXWAMCSA-N 446.533 0.738 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1544477277 SNMWPERDVIFLEP-IRXDYDNUSA-N 437.541 0.623 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1583812153 SDJQIBQVYZFZPJ-LJQANCHMSA-N 442.497 0.484 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)COC)CC1 1595562381 WYPMQQCMBMDQFK-UHFFFAOYSA-N 427.509 0.298 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1595759078 CZPDAKCSLFLKSU-GFCCVEGCSA-N 441.526 0.725 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595844961 KTPHYZIQJUEPLL-ZIAGYGMSSA-N 443.599 0.364 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)C)cc1 1598568172 QVLNKEYWAGVGAK-VDZJLULYSA-N 439.559 0.695 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 1636546853 ZQYPKEGZWRXYGI-UONOGXRCSA-N 431.898 0.370 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 1644285495 QQEFYLUGSFINPS-HZPDHXFCSA-N 430.571 0.784 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1=O 1648973230 CLOVQIYYTIXPRR-UHFFFAOYSA-N 428.445 0.881 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689985720 AHEORLCQOSUQSO-HNNXBMFYSA-N 437.547 0.402 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1695766369 BHOKUUNLKYTYAQ-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722363242 ZLSRPLKRVSLCMD-CVEARBPZSA-N 445.549 0.220 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722369675 DMTSETIQBLCWQK-LGRMXARXSA-N 426.564 0.667 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722730288 NJJWRCWJVWWLPE-IRXDYDNUSA-N 436.582 0.674 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748817759 PTOFVESFFRGCFT-SJORKVTESA-N 440.591 0.997 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748964929 NKUDGBYQGNDBRW-HXUWFJFHSA-N 436.509 0.644 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCOCC1 1749489504 WTUYOUCTCJJFQB-SJORKVTESA-N 442.586 0.202 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749629781 DKTCMBAGORFOET-GFCCVEGCSA-N 439.460 0.691 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760182825 MPNZTSQBGNLSHC-HZPDHXFCSA-N 445.611 0.746 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1760258212 IPELZDPJSDBNMP-UHFFFAOYSA-N 427.534 0.463 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCCN(C)C)CC1 1760268937 RVUYQXONRZHNSD-UHFFFAOYSA-N 428.541 0.223 30 10 ICEE CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764898780 HOTWJGXEEKEFJU-RUNIHZNKSA-N 443.508 0.195 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1769150369 FSGGLWKJUHITSS-UHFFFAOYSA-N 435.492 0.725 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2315535034 WJABRCMZCZYGSZ-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)c2ccsc2)CC1 473158707 HECDITGFEULERJ-KRWDZBQOSA-N 434.543 0.776 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508803851 ZMUOIHOVKBENHG-KGLIPLIRSA-N 438.558 0.903 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 508886398 AGVFODJKQJQJQN-OAHLLOKOSA-N 440.570 0.492 30 10 ICEE C#CCN(C(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CCS(=O)(=O)C1 729334714 UHYDIYKFNBZRJI-ZDUSSCGKSA-N 441.303 0.823 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@H]2CCCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1141463994 WAQWPQPWARRGMX-RNODOKPDSA-N 443.497 0.831 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286394712 PDDWVXMANSSILK-OAGGEKHMSA-N 440.591 0.853 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1286467486 QDHIRRMTDOJFFJ-SFHVURJKSA-N 437.566 0.525 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286599606 BRIALCJUFJFZHS-KBPBESRZSA-N 435.572 0.104 30 10 ICEE CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1299306085 KWYJFILVTOXNHJ-SFHVURJKSA-N 435.510 0.685 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1300493811 WBPGRIXKIOGRHO-UONOGXRCSA-N 425.580 0.998 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1300501196 HRVUUFOZBYDREO-ROUUACIJSA-N 449.577 0.352 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1301589650 VNPSJZQZQVVEKL-HNNXBMFYSA-N 447.583 0.202 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301594572 HBNMRNLNGWYUPX-ZBFHGGJFSA-N 439.611 0.984 30 10 ICEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1313476249 DMWLKQYZIMBKLQ-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1358948785 LEUOHMSEMDNVNB-INIZCTEOSA-N 447.521 0.082 30 10 ICEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)COCCO1 1360843891 PDXBTAZDBNKHFJ-KKSFZXQISA-N 426.477 0.846 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)CCNC2=S)cc1 1441663982 IYXFNKVQSHGCQA-RCCKNPSSSA-N 437.547 0.935 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 1463594102 ANZIKCAZJXFDCV-MRXNPFEDSA-N 429.539 0.414 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1503371031 DKSFFXHAXYPQCK-INIZCTEOSA-N 445.549 0.671 30 10 ICEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1503671077 ARCSFGNIDWNXJX-UHFFFAOYSA-N 427.494 0.075 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1505314203 AHRLIERJLLASTB-GUYCJALGSA-N 439.473 0.332 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)[C@@H](C)CCC 1507617588 WNLJOLKVVBRFPG-HOTGVXAUSA-N 440.570 0.233 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1507680116 XUSAOBHAQHDTBW-HNNXBMFYSA-N 428.522 0.977 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1507789606 FPYWIDXNQKFSFD-CQSZACIVSA-N 441.330 0.650 30 10 ICEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1OC 1519498837 GFWGMJVDGNLLIW-YESZJQIVSA-N 439.476 0.655 30 10 ICEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNS(C)(=O)=O)CC1 1539459576 KSVWIBSZDNNIBD-UHFFFAOYSA-N 432.550 0.470 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC 1539557065 KWNLLJQJZGMDBJ-YEGXZQIXSA-N 443.595 0.372 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540902281 FODVBFGXDFFSIE-LSDHHAIUSA-N 449.537 0.905 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1556346738 IKDMEUWEWQQISQ-UHFFFAOYSA-N 434.449 0.784 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NN1CCS(=O)(=O)CC1 1584932340 HDZHIOFDISYFOP-UHFFFAOYSA-N 432.296 0.860 30 10 ICEE C#CC[C@H](COC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1587391709 DQXYPGOPEBKZBD-MRXNPFEDSA-N 425.482 0.447 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1587620470 FQXZFVYZLIMFHM-AWEZNQCLSA-N 443.533 0.682 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588025225 WDUMMQQRQWMQFS-UONOGXRCSA-N 445.492 0.467 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1588046035 WBVNHTNLPQYWGU-IERDGZPVSA-N 447.536 0.778 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1588138754 IQUMGRRGMMCGEN-IBGZPJMESA-N 443.529 0.741 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1588806520 UFZUJCYYRATQQO-LJQANCHMSA-N 437.548 0.899 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)C)CC1 1588930579 ZLKNYNXQLZBYRO-SFHVURJKSA-N 430.553 0.910 30 10 ICEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1589059676 HPOKLPLYLBPIEP-UHFFFAOYSA-N 446.577 0.419 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1595754133 LMQPUYDKLMAYCS-UHFFFAOYSA-N 438.554 0.077 30 10 ICEE N#C[C@]12CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1618171765 LMDCORIHZVWHQS-QFBILLFUSA-N 437.543 0.484 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 1629877975 SNKXYGBJWLAXNM-UHFFFAOYSA-N 433.534 0.104 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3cccc(Br)c23)CC1 1636479451 BFPCOCYCHZTJTB-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1636479727 DZDWNRIEMSADSQ-INIZCTEOSA-N 428.555 0.635 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)n1 1638898289 UTQKVNIQOYOPOV-LFDOHDQPSA-N 436.534 0.947 30 10 ICEE N#Cc1sccc1N1CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1685211116 IEDGFFUNLMUKOR-UHFFFAOYSA-N 440.529 0.884 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1690032659 GUGKHDFFTXUMOT-QRWLVFNGSA-N 432.550 0.362 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705907225 DVYPBFATTXQVIY-MRUHUIDDSA-N 432.525 0.475 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1710883997 LTQMRMUFINMGPO-UHFFFAOYSA-N 432.554 0.851 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1722353307 UYNNFBPTUPRVHB-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722358242 FHGVILMZRVBFET-QGZVFWFLSA-N 438.598 0.773 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740581152 QMIYXIMBXKHYAL-IAGOWNOFSA-N 438.598 0.991 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1740640302 KHTKLUHWLMKXLR-ROUUACIJSA-N 434.566 0.168 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2nnn(C)n2)CC1 1740707279 WTQDGFDOCJOVEY-UHFFFAOYSA-N 433.520 0.715 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1748278089 BPAOSBVVBPTOHK-UHFFFAOYSA-N 437.504 0.971 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749022419 JOCPPZKXLOFBMV-CAOSSQGBSA-N 427.596 0.973 30 10 ICEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1749531700 LVQZNLOVAIYDBH-QGZVFWFLSA-N 443.533 0.843 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749734061 DSJRGBIAHRWDFT-ARFHVFGLSA-N 446.595 0.785 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CCN1C1CC1 1750388704 RHHGQROSTMNIJX-ZFWWWQNUSA-N 444.508 0.986 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760521669 ALNSXKMPGQYUQJ-QGZVFWFLSA-N 426.525 0.818 30 10 ICEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)CN1CCNS1(=O)=O 1852717701 HJUDURZHJQTFPW-UHFFFAOYSA-N 442.423 0.994 30 10 ICEE CC(=O)N1CCN(c2nc(=Nc3cccc(C#N)c3)nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871730567 DIWZTYCNUBJESE-UHFFFAOYSA-N 449.519 0.246 30 10 ICEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N(C)CCO)ncnc21 1873593103 FRFSVFQQAKZJCS-UHFFFAOYSA-N 444.517 0.623 30 10 ICEE Cc1nc(I)c(NC(=O)C#CCN)c(I)n1 1984094584 AVKSYAAJRNCOJT-UHFFFAOYSA-N 441.998 0.895 30 10 ICEE C=C[C@@]1(O)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270518873 MGJCILLYVLHSJV-VQIMIIECSA-N 426.491 0.797 30 10 ICEE COC(CN/C(=N\C(=S)NCCCN1CCOCC1)Nc1nc(C)cc(C)n1)OC 14155991 XHQCRIMEXSQOIU-UHFFFAOYSA-N 439.586 0.667 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 254739272 ZRIHAYQPBLIOFX-FZMZJTMJSA-N 426.472 0.877 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 489087443 HWOZKXMABWGIMP-UHFFFAOYSA-N 439.519 0.952 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC3)C2=O)n(C)n1 509217040 IWJMKOWBQBPQQO-IAGOWNOFSA-N 437.570 0.320 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 514529643 AAXJJVISISNCKD-KRWDZBQOSA-N 434.518 0.590 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 603797587 JPBASEXHNOXCFV-UHFFFAOYSA-N 430.555 0.109 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 729331177 KHSYGNZNYWBRNC-IRXDYDNUSA-N 440.543 0.406 30 10 ICEE CN(C)C(=O)CCN1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731480278 DKXXSHIMODKQBO-UHFFFAOYSA-N 435.550 0.174 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC1 761273528 PEEBQVBDOQGQBX-UHFFFAOYSA-N 448.545 0.490 30 10 ICEE C#CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 774050718 AHQHCROYHKUZNA-ZOBUZTSGSA-N 437.522 0.173 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 789075487 CPERJEMCFBYMOG-RNIPGJKVSA-N 425.489 0.481 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)c1 789633624 SKUCFQRECRNLJY-CJVAQADSSA-N 436.412 0.477 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 917356822 SUDJKTWHFUSJEO-HNNXBMFYSA-N 427.530 0.221 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1 1301587017 QNJYBBDAINYXPG-AWEZNQCLSA-N 425.511 0.001 30 10 ICEE C#CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1358936808 YBBHXGCRAYLAEG-QFBILLFUSA-N 425.555 0.814 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960890 NOBOVVIBVWJJED-GOSISDBHSA-N 444.561 0.689 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1cn(C2COC2)nn1)[C@H]1CCS(=O)(=O)C1 1358964422 YWAJTSHKNSDDAU-INIZCTEOSA-N 433.538 0.314 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1Cl 1439795838 LBYYQNSSYRMENM-BIENJYKASA-N 432.889 0.961 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1 1455115462 PCDOREQQAWJEAJ-UHFFFAOYSA-N 439.501 0.349 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 1464362730 GAEMYOHZQRDBEM-UHFFFAOYSA-N 427.426 0.201 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507731332 FXAQKAHIMPRXOH-SFTDATJTSA-N 429.613 0.811 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1507755179 RYRBUWMFSVKKKH-MRXNPFEDSA-N 434.566 0.575 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508084636 OZLZKYJPBKPSBE-PKOBYXMFSA-N 425.537 0.723 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508097239 GOEBPNJLWKPYPA-OAQYLSRUSA-N 444.540 0.741 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539201617 AXJRUPLXCCIMLB-HNNXBMFYSA-N 444.517 0.589 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539215784 JEJJICUXTIYXRO-CRAIPNDOSA-N 431.566 0.788 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539827957 CBPABLTYQUAFSL-LSDHHAIUSA-N 446.599 0.469 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1540871150 FSBZJSBILPXGJU-ZBFHGGJFSA-N 448.549 0.929 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1541926864 ZQOISHOXKIGSIO-ZFWWWQNUSA-N 437.570 0.933 30 10 ICEE CCOC(=O)[C@]1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1558007273 MBNSXBZQNDRUFE-KKSFZXQISA-N 428.445 0.944 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593807236 IUBMBLHIARCTRM-NEPJUHHUSA-N 445.933 0.114 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1607586535 VWDUITINMGIMJM-UAGUMBHZSA-N 435.424 0.871 30 10 ICEE C#CC1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1630039640 ZWUDBISJYREYNA-UHFFFAOYSA-N 433.530 0.286 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2cccnc2)cc1 1631959865 YWXFWLWUEIGBIW-ZWKOTPCHSA-N 433.486 0.941 30 10 ICEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1631992904 PHIAXRCQFCOKFU-DZKIICNBSA-N 437.518 0.978 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCc2cnccn2)CC1 1643280526 KESRHNAQSIVXPS-MRXNPFEDSA-N 428.518 0.402 30 10 ICEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1655318419 BOLQQXWXEQIYGH-UHFFFAOYSA-N 441.531 0.939 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 1665751640 ZRDPCUARFVFBDT-UHFFFAOYSA-N 436.353 0.364 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)CC1 1670354279 SZKBFDIMVANOJX-MRXNPFEDSA-N 445.586 0.865 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(=O)NC)c1 1689868680 OGLISSPEBCPRPL-UHFFFAOYSA-N 425.493 0.609 30 10 ICEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690023942 NGHGHIYQVJSCNC-QFIPXVFZSA-N 442.541 0.694 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1705509584 IAEWISGFQPOODJ-QZTJIDSGSA-N 438.598 0.850 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1705571374 YNCSZEMVPHWMPK-KRWDZBQOSA-N 433.534 0.936 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1705571639 DSVXCVXJASWIKN-UHFFFAOYSA-N 447.543 0.838 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1722703056 UPCNQKIJEYJCHC-BXWFABGCSA-N 432.525 0.505 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722706073 MIZPWZNZJVOFPK-SFHVURJKSA-N 446.483 0.640 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740622913 KVLXFLLFURSDQA-DZGCQCFKSA-N 448.574 0.923 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCOC2)n1 1740689196 QZGVHCRNYCPAHO-UWJYYQICSA-N 430.509 0.416 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1746700349 LKMIQYXWMMWOMZ-IAGOWNOFSA-N 430.506 0.311 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1748817523 LRNSYGATAKEQTC-ZWKOTPCHSA-N 439.582 0.377 30 10 ICEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749372157 FWKNVKKRGGGJAA-OAHLLOKOSA-N 429.456 0.920 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1749651275 RBLFQSGEEQQPPW-ZDUSSCGKSA-N 434.522 0.459 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC(OCC)C1 1760234242 UPVXYVXABNHGNO-KOHRHEQBSA-N 441.554 0.001 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1761502305 XVDIAQTWBHEYBR-YOEHRIQHSA-N 448.549 0.893 30 10 ICEE N#CCCN1CC[C@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1855019286 MCRHGAOFHFPNAH-SFHVURJKSA-N 432.546 0.899 30 10 ICEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C(=O)C2)C1 1856865705 AYQKQVJZMSUJDF-MSOLQXFVSA-N 438.594 0.512 30 10 ICEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873595000 LICNAPGNBRVGNF-UHFFFAOYSA-N 443.508 0.762 30 10 ICEE C=CC[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 2210482183 MONBORCJOBSNRB-YJNKXOJESA-N 429.514 0.913 30 10 ICEE CC#CC[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 2213504725 FZNPMYFMKLKFLD-ZJIFWQFVSA-N 441.525 0.750 30 10 ICEE C#CCCN(CCOC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270514005 JCEIZMNXZXFMNK-QGZVFWFLSA-N 426.491 0.756 30 10 ICEE COc1cc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)ncn1 461731009 UJVDDSAAEXHCIP-UHFFFAOYSA-N 430.490 0.558 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 466586519 PWRQXTFUZXZESS-AQNXPRMDSA-N 425.533 0.773 30 10 ICEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(C#N)cc2)s1 469611079 KBSGPWWKCDNOTL-UHFFFAOYSA-N 436.515 0.729 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 560866936 OOGCECQTXIDDST-UHFFFAOYSA-N 449.360 0.718 30 10 ICEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583017741 XZXCXFNHTUMGIZ-AWEZNQCLSA-N 425.470 0.751 30 10 ICEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803642 AWZGUOCUPBABGO-CYBMUJFWSA-N 429.506 0.928 30 10 ICEE Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)no1 785319454 QSXJDVWPUNAXEV-JWGURIENSA-N 434.478 0.788 30 10 ICEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O 795469104 YGPTWFGLVDYGGK-ZIAGYGMSSA-N 447.922 0.628 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CC2)CC1 797580680 CKRPDNSWRBFNJX-UHFFFAOYSA-N 440.547 0.718 30 10 ICEE C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O 799176518 WVUJQZUWOGJACJ-OTJDAXFFSA-N 446.573 0.850 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)n1 801696055 BIUKWJOSWCGUKF-UHFFFAOYSA-N 441.531 0.766 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@H]3O[C@]32CO)[C@@H]1C 1078018409 LYJKREGDQDJIDC-IDFPUNOBSA-N 433.457 0.485 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1157009361 LQONTSNWFGLTRM-MRXNPFEDSA-N 444.536 0.641 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286380456 IMQIKYHNHJGAJU-SFHVURJKSA-N 448.593 0.627 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286389877 SBDRSVVGSGJMCR-SJORKVTESA-N 429.550 0.704 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286505340 XWOLVUYVZGMARF-GJZGRUSLSA-N 440.595 0.361 30 10 ICEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 1291777579 IKYSDAQJGBFHFK-SFHVURJKSA-N 442.559 0.455 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1472150750 ODWLRCURTHWDSW-UHFFFAOYSA-N 442.515 0.233 30 10 ICEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1479138835 ZELFEDGAQXXASK-IRFCIJBXSA-N 432.546 0.776 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1507629438 UBTFWKDFMIXZCV-CQSZACIVSA-N 446.924 0.797 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507634167 WYRZZZZBMACYHM-CVEARBPZSA-N 444.579 0.581 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1507769966 OAECOCKGCFDJQD-GOSISDBHSA-N 436.563 0.811 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507867997 COOMRDJUHKUZEQ-HZSPNIEDSA-N 435.934 0.214 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1508108095 HTNATCWVYIXHBN-OAHLLOKOSA-N 428.497 0.449 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1537488936 VDQJIDOOWBBGGJ-OXJNMPFZSA-N 446.485 0.179 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1539178351 HCZIOCRMOJDPLB-JCYILVPMSA-N 425.555 0.886 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539413533 LYAFVIMPOBPIRG-DLBZAZTESA-N 425.555 0.887 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540901961 WARFNYKAMXMGMA-QGZVFWFLSA-N 436.582 0.499 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1543998834 ATWINWGZYDQSTQ-QGZVFWFLSA-N 435.506 0.572 30 10 ICEE CCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546518628 JBFJFZKIFDUNCE-UAFUQJIBSA-N 443.552 0.916 30 10 ICEE CCOCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1548113561 BUPBNGCMEPLVLK-NIQRWSHPSA-N 431.497 0.303 30 10 ICEE N#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556608006 XESUQXOLERVRMC-MNOVXSKESA-N 432.296 0.521 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)C(=O)OCC 1557934835 PIAAKOFFRAILAW-CQSZACIVSA-N 437.884 0.911 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1587989887 PYBBXOWNCXTXED-HOTGVXAUSA-N 433.538 0.455 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595405150 FPGAWSYXVFRRLN-KRWDZBQOSA-N 436.582 0.501 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1620175692 WHVCIVIBRGDTGO-FQEVSTJZSA-N 446.533 0.752 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1630034127 HAYZFBBXVGOFTL-UHFFFAOYSA-N 449.714 0.948 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@]3(O)CCS(=O)(=O)C3)C2)C1 1635652415 MEFQYOIIAPGWOK-URSRKNFFSA-N 427.523 0.439 30 10 ICEE CC(C)(CNS(C)(=O)=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1638866746 LTGGZJDUTUSVDF-UHFFFAOYSA-N 444.579 0.730 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1683595626 ZQVBCHDZUQLSHE-QGZVFWFLSA-N 434.537 0.880 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N2CCOCC2)CC1 1690119427 FIKOTZIEAZWQBU-UHFFFAOYSA-N 438.532 0.958 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690485017 JKTCFNRTHRRKJY-BBWFWOEESA-N 443.570 0.817 30 10 ICEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1695897182 LGNGUTZQJCRLDC-LJQANCHMSA-N 444.584 0.661 30 10 ICEE COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698027271 NIMOLGIQYTYXSY-UHFFFAOYSA-N 442.524 0.529 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccs2)CCO1 1698490545 DGILAORXFCHMSQ-AWEZNQCLSA-N 429.506 0.734 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN(CC)S(C)(=O)=O)CC1 1705637864 OSUIXLCYIGNSBL-UHFFFAOYSA-N 431.566 0.767 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705934390 KXDAOFOUWPDQRN-WBVHZDCISA-N 430.534 0.964 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706836365 JGAMWOYSKSJPDH-FKEVTRRJSA-N 436.538 0.626 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1706870744 HXDIDDGORSUPSW-PMUMKWKESA-N 436.517 0.789 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1722377840 GTHZDSVSCWZDBG-UHFFFAOYSA-N 434.500 0.911 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1722397090 MWXJUGXPMSEJMH-YLJYHZDGSA-N 437.566 0.625 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1722397659 TUNAXLJSAIKHQP-GOSISDBHSA-N 434.566 0.170 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722458447 JUXBRZNYXCZQPG-ZDUSSCGKSA-N 437.547 0.996 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]1(C)C#C 1722462165 SKACRRWYSUQRFT-QFBILLFUSA-N 437.591 0.970 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722702452 OIOYGLRDARVQFW-INIZCTEOSA-N 435.554 0.455 30 10 ICEE C=CCNC(=O)Cn1c(N(CCCOC)[C@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1722704563 VDLPGEDMLCJQSH-HNNXBMFYSA-N 427.571 0.908 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1722781372 GJSSAKFOXMSCPU-UHFFFAOYSA-N 433.476 0.638 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1723563597 QELPITRDASGORU-ZPHPHTNESA-N 438.492 0.974 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740624202 DMXGZNOLPBLXCX-YLJYHZDGSA-N 431.518 0.042 30 10 ICEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1766500389 GIOWKVZPQKYNQK-HUUCEWRRSA-N 426.543 0.824 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)Cc3c(F)cccc3Cl)C(=O)C2)C1 1856848940 AGXHUYPXKSVPMH-ZDUSSCGKSA-N 442.900 0.620 30 10 ICEE Cn1nc(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 2255842451 RODJZWQHFQEVNV-XQQFMLRXSA-N 433.318 0.852 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCN1Cc1ccccc1 2255931566 NHJKWTZTGIZEEE-MRXNPFEDSA-N 447.370 0.667 30 10 ICEE C#Cc1cnn(C2CN(S(=O)(=O)C[C@H](NC(=O)OCc3ccccc3)C(=O)O)C2)c1 2364953620 IGNGFRGZDXLGJE-KRWDZBQOSA-N 432.458 0.431 30 10 ICEE CC[C@H](O)/C=C/[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](OC)(C(=O)c1ccccc1)[C@H]2O 257431239 GZAYJWNDYQINEI-HOARKMQASA-N 431.441 0.003 30 10 ICEE N#C[C@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 461841740 DRXUNFMFRDJTMY-ZDUSSCGKSA-N 432.458 0.326 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 464858511 SRRFCHMQINNVDI-MRXNPFEDSA-N 439.545 0.905 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 492376659 RBIXYPXUWBJMNF-MRXNPFEDSA-N 440.591 0.656 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 505701747 ZHNLWYYLFHHAQC-HZPDHXFCSA-N 442.541 0.630 30 10 ICEE C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509206509 ZAGOXLXEGQKOLL-BBWFWOEESA-N 448.615 0.730 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 555072894 XZSPRZMXAMLRDG-KRWDZBQOSA-N 434.518 0.467 30 10 ICEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 584249914 IWWVZEMZIXIMMZ-CYBMUJFWSA-N 434.444 0.607 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ncn(C)n2)C1=O 768418409 STHWBFWKYOPSQQ-AEKNLGIRSA-N 444.565 0.321 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@H](COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 774352040 VHBPWKGGUNNFRH-ZDUSSCGKSA-N 439.490 0.904 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)C2)C1 1156513628 UHDOEURVMIOIAJ-ODMCYRAYSA-N 431.493 0.974 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1286380393 ICXHBEJFKSLZDK-MRXNPFEDSA-N 437.566 0.956 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1286487711 PGJFMKQGXWCJEE-UHFFFAOYSA-N 430.476 0.354 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1286522065 GKVLQXMQGWJKIH-HNAYVOBHSA-N 438.554 0.128 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286820139 FQBKBPDGYCKBAX-IRXDYDNUSA-N 436.538 0.485 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)CCOC1 1288324439 YZFIDVNKQHYRHE-WIYYLYMNSA-N 434.541 0.770 30 10 ICEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1296195274 NTIRWXGBTCPLKJ-GOSISDBHSA-N 432.573 0.563 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1300579825 ZZSQPJIDMNQXIZ-RTBURBONSA-N 448.593 0.416 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)CC1 1301589784 WZPZIFOGTGGKRL-HNNXBMFYSA-N 427.527 0.661 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCc1ccccc1 1303865428 ADKPZQODJGXTRE-RDJZCZTQSA-N 434.522 0.834 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCOC1 1314701514 OKNAYBBSDUTTEQ-QGZVFWFLSA-N 446.533 0.989 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358949079 SGCBVZQMJCWZSI-CABCVRRESA-N 449.499 0.903 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358959683 NRQYTQRZLSQKHX-RTBURBONSA-N 441.513 0.859 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1358964057 SFGVARMLOQGJSB-HOTGVXAUSA-N 437.522 0.251 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359047332 BUBSHYHDBYPQAB-NVXWUHKLSA-N 435.550 0.530 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NC)C1 1359314153 WWQMPOPTAUMHJW-KGLIPLIRSA-N 428.559 0.442 30 10 ICEE CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1501389852 YMFBQNUGYHYCMQ-UHFFFAOYSA-N 439.524 0.488 30 10 ICEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1503212871 BVJYRZSUABSTQF-UHFFFAOYSA-N 434.522 0.847 30 10 ICEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC[C@H]21 1503643439 QWVUXYFSTKGZLW-DLBZAZTESA-N 443.533 0.423 30 10 ICEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1507981333 JVHNACJOTCYFHO-HNNXBMFYSA-N 439.563 0.759 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508091060 RFHNZLXPNJYHGJ-HZPDHXFCSA-N 440.570 0.240 30 10 ICEE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1517053922 UEXHUCADBXJPFB-VDMFXUGISA-N 434.522 0.695 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 1538195637 OQXIUSNHHRLTAI-UHFFFAOYSA-N 435.550 0.117 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCS(C)(=O)=O 1539175991 FORCCKOZQFPAQR-UHFFFAOYSA-N 447.565 0.583 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1539176312 LQTUKFDYHHFBOU-INIZCTEOSA-N 437.508 0.510 30 10 ICEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1539491976 YQHDEEUTRIQVFW-UHFFFAOYSA-N 442.611 0.645 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540906870 FGQXJILBMYXCFB-HNNXBMFYSA-N 436.538 0.304 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCOC2)C1 1555812239 BOXQMCSLZMRPOI-IRXDYDNUSA-N 438.554 0.778 30 10 ICEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555993822 CERZSMKLSWBVEK-GOSISDBHSA-N 445.545 0.732 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCOCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588030183 QCDFJAGTGDKFNI-HNNXBMFYSA-N 432.568 0.089 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1588629113 YAGUFVGCOJEDGL-UHFFFAOYSA-N 444.536 0.939 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595569951 RZLKRQJBMDXHEC-AWEZNQCLSA-N 443.474 0.776 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595844958 KTPHYZIQJUEPLL-KGLIPLIRSA-N 443.599 0.364 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1618309388 MGKDALOXVKBZMO-IBGZPJMESA-N 434.522 0.608 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1633091076 WZHQLTOYVCMQMY-KRWDZBQOSA-N 445.501 0.400 30 10 ICEE C#C[C@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccc(F)cc1 1636548986 ZZDWZAROBMBSGH-HNNXBMFYSA-N 427.440 0.976 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)ccc1F 1640792330 LLXVDZPGOYGCFM-HNAYVOBHSA-N 427.498 0.246 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1648062051 GVMJYFPBHOWZGJ-OAHLLOKOSA-N 425.532 0.541 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(I)c2N)CC1 1650848711 FORRDZICOHEQGD-UHFFFAOYSA-N 448.286 0.099 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCC(S(C)(=O)=O)CC1 1652026416 VBPHXVBGSYYKJR-HLIUYOAVSA-N 427.548 0.945 30 10 ICEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072592 GSWUFGQNJUBLFK-ABSDTBQOSA-N 435.571 0.864 30 10 ICEE CS(=O)(=O)C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 1660391894 HNAZCKHCXMRPEE-HZPDHXFCSA-N 426.564 0.202 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1673397840 BRRBGMHKSUEHPP-GOSISDBHSA-N 443.547 0.915 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689980134 MEJGZHHOYXPGHV-BRWVUGGUSA-N 442.538 0.044 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705569406 GYNIRFIDPPMHTL-SFHVURJKSA-N 439.545 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1705934524 OPWJIDXVVMLAAF-MRXNPFEDSA-N 447.565 0.948 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1710897731 HKBVIEHQZYFAIF-DLBZAZTESA-N 443.533 0.471 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722560315 VZRPGRQUOKPIST-CVEARBPZSA-N 440.570 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1722729565 OWLQOIQVSGXWGN-UHFFFAOYSA-N 433.538 0.326 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1723778329 OQVHIPCFTYYWEE-IWHJNQCMSA-N 426.481 0.665 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1cccc(O)c1 1740533110 OYMVVJNNNDVVJF-CABCVRRESA-N 448.549 0.872 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740615523 GMPZKHUMTSBFNA-DYESRHJHSA-N 449.577 0.956 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740628781 UDKWKRORIMVWHX-HZPDHXFCSA-N 437.566 0.919 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1740954639 CWOIEQZZCXUGFS-UHFFFAOYSA-N 447.517 0.989 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1748199910 NRGDQVAXPQPPOG-IENXAOORSA-N 443.508 0.271 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748725086 RXHFIKSGUJFCGG-UHFFFAOYSA-N 429.569 0.851 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1748929925 SRJLBKIQYSKPFT-INIZCTEOSA-N 438.554 0.129 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)CC1 1748989879 RAYFGCVZWFNEJQ-IBGZPJMESA-N 448.593 0.194 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1749721631 PRMLFYBUTJQIMT-CQSZACIVSA-N 440.570 0.464 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1760206017 PCIDVPUPIGMCMP-QGZVFWFLSA-N 433.559 0.988 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760517646 UBNGUMPELUOSAQ-MRXNPFEDSA-N 425.493 0.812 30 10 ICEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 1767497448 CLDPWMFDRRSUIJ-UHFFFAOYSA-N 441.521 0.512 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)C(C)C)CC3)CC2=O)CC1=O 1855890742 HHANFDUOXNWWRC-IAGOWNOFSA-N 425.551 0.846 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H](O)C1 2076810340 FVQXEVFOMCLRNG-YCRNBWNJSA-N 444.532 0.956 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620805 ZPNDJRVEUDXUAI-FQEVSTJZSA-N 436.318 0.811 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)[C@H](C)C1=O 2286045160 MFWGGGXQPAZPMI-GDBMZVCRSA-N 439.490 0.415 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 460931646 LPGXAUUDLWRVCP-CVEARBPZSA-N 436.542 0.620 30 10 ICEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cs1 516374248 RYTPAOSPZXLUDU-CQSZACIVSA-N 430.555 0.889 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 542432918 OCMRXPRSPCDWSC-RDTXWAMCSA-N 427.486 0.932 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC2)CC1 550047683 KFOPGBRLLARWFV-GOSISDBHSA-N 425.537 0.725 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 566707748 XKMQPEOUGRXBRK-KBPBESRZSA-N 435.572 0.056 30 10 ICEE CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)CC1 585481184 KLQIMLYTJUYOJV-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 590915183 UIGDMGKIRQURJT-HNNXBMFYSA-N 448.570 0.510 30 10 ICEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 739838867 VJDUQMAJDSSCCL-UHFFFAOYSA-N 444.565 0.193 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758069554 QGRVFCALVLLIQD-UHFFFAOYSA-N 446.872 0.370 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 761253347 KQNRTSWMAXVLBE-HNNXBMFYSA-N 426.516 0.855 30 10 ICEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CC(N)=O)cc1 764998833 ULRMMXHWNLSVMC-UHFFFAOYSA-N 443.488 0.737 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@H](O)c3ccc(C#N)cc3)ncnc1-2 780933101 ZDOKGBPHKPPAOY-ZDUSSCGKSA-N 430.266 0.633 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 788570462 UALKISQRDDENKX-UHFFFAOYSA-N 425.449 0.142 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C 793470422 YGMFVNYQLSGAED-UHFFFAOYSA-N 435.509 0.942 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 1170263493 ADCJVDCCGCVYTK-AEFFLSMTSA-N 430.471 0.312 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cn(C2COC2)nn1)[C@@H]1CCS(=O)(=O)C1 1286386291 YBEIMKHOTXLAIK-OAHLLOKOSA-N 433.538 0.413 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286409078 IBOAMCQJNKDZFC-FHWLQOOXSA-N 447.561 0.665 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC)C1CC1 1286738415 UQYCEFCHTCHHMT-HNNXBMFYSA-N 426.543 0.244 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286793092 RIBNZHZXAAKQLD-NJNPRVFISA-N 448.568 0.389 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286818226 UTGDCVJLXNIHSC-UHFFFAOYSA-N 437.526 0.244 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1300879416 ABSKZMMXBCUBDL-UHFFFAOYSA-N 439.520 0.980 30 10 ICEE CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1303335716 ZWCWTUFGVWYLPZ-KRWDZBQOSA-N 428.493 0.680 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1303638776 BWRNKKMLOOXSNF-DLBZAZTESA-N 439.586 0.835 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1359010154 HWUFQXDFANCRII-KRWDZBQOSA-N 435.554 0.437 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCN(C)C2)CC1 1359038043 INHONDPRACMFHK-OAQYLSRUSA-N 443.577 0.091 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)C1 1359311486 BPYYTQRYHIJCMO-INIZCTEOSA-N 441.492 0.566 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1360476654 OZOBLAOXBADLAK-OWCLPIDISA-N 442.542 0.155 30 10 ICEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457202410 QSPVSTBLGOCLIS-QGZVFWFLSA-N 437.456 0.907 30 10 ICEE CCS(=O)(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1464160575 WLEXUNNCEKQOEF-KRWDZBQOSA-N 447.517 0.694 30 10 ICEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1470936863 UYTBWIUGNYKAFC-QKNQBKEWSA-N 431.562 0.382 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCOC1 1507617069 QMTHCVYERJGEMD-SJORKVTESA-N 441.554 0.124 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507631491 QAVUYVMQYMYJFJ-CQSZACIVSA-N 435.506 0.669 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507869645 WYFJDASSMAZEDM-GUYCJALGSA-N 444.945 0.080 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508132267 WGOAYBVGHQSABA-JKSUJKDBSA-N 425.555 0.880 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1539497383 LPPWBJLSMRQZQC-HUUCEWRRSA-N 438.583 0.688 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540901341 AIWGYNPIUVXTMM-UHFFFAOYSA-N 447.565 0.728 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540902421 IRVJOVTWFSJSLY-KFWWJZLASA-N 426.495 0.887 30 10 ICEE C#C[C@@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1584771161 QAPCZMODIFIFAY-CQSZACIVSA-N 431.470 0.436 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2CCCO)CC1 1588968023 FKERDLSTINNJIT-VQTJNVASSA-N 444.580 0.942 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(O)c3c(C)c(C)sc3n2)CC1 1632960828 MTXRGCLHGWYAQR-UHFFFAOYSA-N 437.547 0.558 30 10 ICEE CCS(=O)(=O)C1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1636568682 VYQZZRVBFAQMDU-UHFFFAOYSA-N 427.548 0.931 30 10 ICEE CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641151398 SJPHDVDPPMJFEG-QGZVFWFLSA-N 428.493 0.242 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2cc(O)ncn2)C1 1653310277 OFMAAWLZYXLDQW-ZDUSSCGKSA-N 430.490 0.396 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCOC2)CC1 1690138199 VHQGMXSNUXRRBD-IIBYNOLFSA-N 435.525 0.119 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690509145 XXWCMVSUQUJBOY-ZACQAIPSSA-N 437.566 0.735 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCn2ccnc2C1 1692799103 FQEQJHDXLOCPSN-KKUMJFAQSA-N 434.526 0.076 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCN2CCCS2(=O)=O)cc1 1698487900 FBQQUYZUKMOEBW-UHFFFAOYSA-N 434.547 0.421 30 10 ICEE Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1707913254 WHIPZJJNLBPIEA-FZFLATATSA-N 429.525 0.802 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(N)=O)c1 1722401170 NXEOBEGWYADQRR-UHFFFAOYSA-N 434.500 0.776 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC2CCCCC2)CC1 1722441067 OOKKYRYWANRTKW-UHFFFAOYSA-N 441.580 0.995 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722542663 FSNOOKSKPCFUJC-WMLDXEAASA-N 432.978 0.942 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1730956161 OYUBRZRLUIONBL-XHSDSOJGSA-N 434.497 0.013 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1740699516 JUOLKXCEXIPVBD-UHFFFAOYSA-N 443.458 0.865 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O 1749671468 BMTZROTVAWWTEM-UHFFFAOYSA-N 427.477 0.930 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CCO1 1750388411 OTEJHQWQPJUVRF-BRWVUGGUSA-N 439.538 0.352 30 10 ICEE Cn1cc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cn1 1767458091 SLENSSBIZVRYDX-AWEZNQCLSA-N 444.521 0.957 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CCO1 1767711892 CHPUBHLPUUOSQS-GBESFXJTSA-N 440.504 0.819 30 10 ICEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1O 1770222108 AKHKZPKRSBHKCC-HUUCEWRRSA-N 433.490 0.671 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1771112565 SEDIMEREZJBNRQ-ZNMIVQPWSA-N 430.506 0.508 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CCc3cccc(Cl)c3)C(=O)C2)C1 1856837955 AUABQUAAMYYHSF-QGZVFWFLSA-N 438.937 0.871 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C#N 440374070 KHHFCSPVPFLWPD-UHFFFAOYSA-N 434.477 0.938 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)nc1 531630601 MTNSWGJITSJMOQ-UHFFFAOYSA-N 438.553 0.818 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839380047 WUIOBWBXZHMYED-UHFFFAOYSA-N 432.509 0.951 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1136407112 MYFVNPDLFDIAGB-CQSZACIVSA-N 438.978 0.716 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1 1148028246 DFWKWTCBDHWWIN-AWEZNQCLSA-N 437.547 0.800 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1286347838 CSZRVXSGVKETTL-UHFFFAOYSA-N 434.522 0.891 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1286467717 UEHOHGRDLKBLFZ-INIZCTEOSA-N 444.579 0.091 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286504897 SBGWRPVZLLXCEO-ZIAGYGMSSA-N 431.522 0.068 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)CC)CC1 1286664639 ZSGCXIAPMLENGB-OAHLLOKOSA-N 431.584 0.522 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1286737758 OKLCDMYLHFGKSE-HMWBCQRISA-N 446.533 0.861 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1300483493 KKZUNQXBGLORBP-CQSZACIVSA-N 431.584 0.142 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1300671431 IQFLPLFKDZPRPP-GOSISDBHSA-N 448.549 0.335 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(N)=O)c2)CC1 1300683699 RMBNYYLVLWTCEJ-QGZVFWFLSA-N 426.521 0.905 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300764542 XQIXNJOQSAMVFC-KSSFIOAISA-N 439.563 0.578 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1302311690 OWXNATQYFCPJBC-OKYOBFRVSA-N 434.541 0.578 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1358979830 YXRBXFFKPNTIHN-LJQANCHMSA-N 448.593 0.560 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1359043584 ZXBOTBDAUAIJSQ-UHFFFAOYSA-N 429.488 0.959 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](Cn3ccnn3)C2)CC1 1460469994 UQHFYMMGKHCYOY-WOJBJXKFSA-N 427.484 0.527 30 10 ICEE C=CCCCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1462785609 ZAGNFUXBUCGWLV-UHFFFAOYSA-N 444.579 0.521 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507633655 UMEUFYLWRSHIPR-CABCVRRESA-N 438.531 0.448 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1507633783 HGECNLTXMNWHHH-QGZVFWFLSA-N 430.534 0.369 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1507650956 YAYNUNMETNNAOP-MRXNPFEDSA-N 432.506 0.353 30 10 ICEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1519246334 DJQXIPBJVSNLOC-HUUCEWRRSA-N 429.543 0.680 30 10 ICEE Cn1nc2c(c1C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CS(=O)(=O)CC2 1522320441 XDZAPGZYNWNQEW-QGZVFWFLSA-N 427.486 0.688 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1539179636 QPQFBXDFZVASPH-RBUKOAKNSA-N 446.577 0.983 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554390871 YHNWAHDGFSBXTP-CUWSIIEESA-N 431.497 0.127 30 10 ICEE CNS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1554511586 GAESRRASWPERFU-IRXDYDNUSA-N 430.506 0.310 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(=O)NC)CC1 1594096843 JKUJRNIXTHXPPT-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595569982 SPQMSGKXBKLIMV-LJQANCHMSA-N 426.521 0.707 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 1665750928 RZWXUDDEMBRBSG-UHFFFAOYSA-N 436.899 0.331 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCCCC3)cc2)CC1 1682584076 XNZWWNSSHGUBQE-UHFFFAOYSA-N 433.578 0.967 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1689825955 GBWRQYPLDZDPGM-CABCVRRESA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689993315 AUWJHELJQGYIFS-FXAWDEMLSA-N 447.586 0.759 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cn[nH]c2)CC1 1690137117 NZNRYXVIZOGMGZ-UHFFFAOYSA-N 447.503 0.857 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690248772 PURHKVCKHFKBDY-IEBWSBKVSA-N 446.552 0.329 30 10 ICEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1696568154 XUCDQCNCLZJKMA-CABCVRRESA-N 444.583 0.483 30 10 ICEE C#CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705665481 VIAHZSVGDFMCJB-SFHVURJKSA-N 443.595 0.378 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1705930590 QQUHEGCIHIGWDN-HNNXBMFYSA-N 448.615 0.020 30 10 ICEE CCOCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1710730864 ZJMXQGQDQPSMDT-IWHJNQCMSA-N 431.497 0.398 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1712454216 BDCBGKTVMJKROO-MRXNPFEDSA-N 436.542 0.469 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360414 HEIFHUJZIOJXTH-MRXNPFEDSA-N 445.549 0.351 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722728387 VIBAUGPMGDOUGW-OAHLLOKOSA-N 436.538 0.619 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729703033 PKKGRKXVAMQKMX-RMYFCYLKSA-N 431.497 0.271 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)OC)CC1 1740697472 FTIAJIFWLBHBOL-QGZVFWFLSA-N 446.577 0.986 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740957591 TUAALWWCHLTYEW-OAHLLOKOSA-N 426.481 0.059 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748773296 WEFVCBSEUUZAEQ-LSDHHAIUSA-N 447.569 0.458 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1760206252 UUDBDFLIBRDGOZ-LJQANCHMSA-N 448.593 0.558 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)CC 1760294906 JDTOWOBUEOSPNE-RHSMWYFYSA-N 429.568 0.112 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1760522140 MJXDCIBCMLGNSF-LSDHHAIUSA-N 428.559 0.396 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1770728887 VCSBZZYUXSEDNF-LPHOPBHVSA-N 440.545 0.735 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628561 JJSRMGLOZKBWJA-ZIAGYGMSSA-N 436.318 0.809 30 10 ICEE CC(=O)O[C@@H]1[C@H]([C@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@H]2OC(C)(C)O[C@@H]21 255963092 ASSGEEKBKJCWQS-UJHHCITNSA-N 444.458 0.996 30 10 ICEE N#Cc1cc(N2CCN3CCOC[C@H]3C2)cc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] 542525536 MHAMWSIPPSVUSZ-RTBURBONSA-N 428.493 0.508 30 10 ICEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c(F)c1 557357787 OGDKPADVJLMHKP-GOSISDBHSA-N 429.496 0.527 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1 604170530 GPLOIGMLKXEEKI-QFIPXVFZSA-N 442.608 0.995 30 10 ICEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)NC[C@H](O)C(F)(F)C(F)(F)F 1251131420 FUFNSYVFYLZUBH-LURJTMIESA-N 428.236 0.869 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CC1 1286479612 NMBKVNDRILERKC-SFHVURJKSA-N 442.545 0.458 30 10 ICEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286676110 HNZJELGFTKPVAC-ZHRRBRCNSA-N 446.552 0.680 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286823349 MKHBGLQHPMGKMR-INIZCTEOSA-N 435.554 0.407 30 10 ICEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CCN2C1=O 1295891166 XEWJMGCOSYEZCJ-MRXNPFEDSA-N 436.476 0.378 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301567302 GWXFNWNWBMFPTR-HZPDHXFCSA-N 441.554 0.401 30 10 ICEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCOCCS(C)(=O)=O)CC1 1303944146 MYEZHZWOJBJFAB-UHFFFAOYSA-N 438.554 0.592 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1305117074 RBFSBBREUWRURF-SDSZKEBNSA-N 443.508 0.713 30 10 ICEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1315793251 HJFVCGABZPJGEE-LJQANCHMSA-N 441.536 0.688 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1358948696 IQPNWORPNCSJMK-IAGOWNOFSA-N 438.598 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1359031089 PPDUNDLYZJBDTR-DENIHFKCSA-N 432.569 0.406 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1359039301 CSDYELIVXXUVSS-UHFFFAOYSA-N 432.550 0.460 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1359334280 ZFNWJRYHKPGFSY-UHFFFAOYSA-N 448.549 0.160 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 1444992444 WERYTMGKGIVSHS-NSHDSACASA-N 426.451 0.931 30 10 ICEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C(=O)CC#N)CC3)CC2)c1 1445685431 HFBOVZVDCCDQIT-UHFFFAOYSA-N 433.534 0.031 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)CC1 1465447804 VCQMCNVGZBGGOM-UHFFFAOYSA-N 449.533 0.548 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1507536418 BZCVQSBFSGMYOU-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507952317 PVUXSVVUYJDPIZ-UHFFFAOYSA-N 429.525 0.294 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncn(C)n2)CC1 1539469212 OSWHXNZVSUBKMM-NRFANRHFSA-N 442.524 0.073 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540874483 IESWAOWNTKZQHQ-CABCVRRESA-N 448.549 0.812 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C1 1595723683 ZRDJNQVWGSMNLX-FRQCXROJSA-N 426.539 0.767 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1595812380 RHKKAJUPYWGUCX-CYBMUJFWSA-N 438.579 0.902 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1618347014 FRHGJMCWFQLGRI-UHFFFAOYSA-N 426.449 0.679 30 10 ICEE CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1662368076 FTWHYQDSLGBPAY-VIFPVBQESA-N 426.289 0.772 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1690020150 ZPPSURGVWOPEPB-OALUTQOASA-N 448.593 0.558 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690507477 NACLQPMHWIPTMA-WBVHZDCISA-N 445.524 0.589 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690655145 IPGSVBNZTZSPKB-AWEZNQCLSA-N 443.474 0.889 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1698317504 MIXDVDQIUBAQJF-IRXDYDNUSA-N 443.533 0.471 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1705584863 AFEFTFFXOGEOBM-QGZVFWFLSA-N 434.491 0.829 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1722296313 OYWAGFQTZRXBRU-HZMVEIRTSA-N 425.555 0.884 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1722732518 LOZCDBKAEQNJSF-GJZGRUSLSA-N 430.600 0.328 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740655919 GIMSSTMQLGDERL-MSOLQXFVSA-N 447.561 0.138 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC 1740955338 QRPHZQHJRFDMNG-AWEZNQCLSA-N 428.493 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740990210 MJEDXUIHWAGSCU-FQEVSTJZSA-N 449.581 0.580 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1741134565 DAWCFSKZLXYCQE-CQSZACIVSA-N 431.522 0.724 30 10 ICEE C#CCN(c1nnc(C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1748805104 OJGYDTHPAYTZIA-MRXNPFEDSA-N 448.549 0.468 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763211030 CPYSXBNIGHNLKU-YZSZHRGGSA-N 443.508 0.413 30 10 ICEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768520344 MYGDSGCZTURKRN-HNNXBMFYSA-N 427.509 0.895 30 10 ICEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768520345 MYGDSGCZTURKRN-OAHLLOKOSA-N 427.509 0.895 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)C3CC4(C3)CC(F)(F)C4)C(=O)C2)C1 1856835047 IRRBXRFILSMMHM-CQSZACIVSA-N 430.477 0.410 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCC(S(C)(=O)=O)CC3)C2=O)CC1=O 1857262380 KYIJYMIEGGWZFZ-WBVHZDCISA-N 425.551 0.438 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873561248 VUXRHGZUWQSOBA-UHFFFAOYSA-N 428.537 0.576 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)CC1 1889770986 TZVUOAPVMOMJKZ-HXUWFJFHSA-N 440.610 0.059 30 10 ICEE CC(C)(C#CC(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2213497348 HZVODYCENAJBJZ-YCPHGPKFSA-N 441.525 0.750 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@H]3CCCCN3C(=O)[C@H](O)CO)nc2)OC1(C)C 204888791 YLHLNFXUZJZIFN-IAGOWNOFSA-N 435.330 0.669 30 10 ICEE C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 444404760 VPSBTICNQDOTRB-HNNXBMFYSA-N 444.579 0.787 30 10 ICEE N#Cc1cnc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cn1 475359983 GDXHNGZVDAPGMG-UHFFFAOYSA-N 434.865 0.843 30 10 ICEE CC(C)OCCS(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 477432515 WPIZLLQQFBWCNX-INIZCTEOSA-N 440.547 0.743 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 480437348 KLBXDMWABSGMLG-RDJZCZTQSA-N 434.518 0.322 30 10 ICEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1 524281958 IIPNZAJKHHOHIM-UHFFFAOYSA-N 425.466 0.054 30 10 ICEE Cc1ccc(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 561340983 DEYMOAYJKWHCMQ-HNNXBMFYSA-N 428.536 0.341 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CNS(C)(=O)=O)CC1 581717468 CQGKDCYYNGHCOE-CYBMUJFWSA-N 428.536 0.013 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)NCCCCN2CCN(c3ncccn3)CC2)c(F)c1 586858583 CDXKWCAWUFLEMI-UHFFFAOYSA-N 439.495 0.822 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O 726042705 FISCUHOVOHWPJM-JTQLQIEISA-N 430.442 0.955 30 10 ICEE C[C@@H](CC(=O)NCCCN1CCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742611635 DAPORHHNPNPDMS-ZDUSSCGKSA-N 428.536 0.046 30 10 ICEE C[C@H](CC(=O)N1CCC(C(=O)NCCN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742672586 RNVLRNVOIMDKCV-OAHLLOKOSA-N 449.577 0.420 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(COC)cc(C(=O)OCC)c1 813654475 RPVGMMDDFSTWAA-INIZCTEOSA-N 429.516 0.821 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 818087114 MBJYKWDKRMDXSO-RGEXLXHISA-N 425.493 0.435 30 10 ICEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1144922084 GEZWJQOBWFFIJQ-YCPHGPKFSA-N 437.518 0.522 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1152967294 FPCPHEHMBNCNDN-DLBZAZTESA-N 440.566 0.776 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1170127730 LHJIZNSNIAEUOE-ZDUSSCGKSA-N 435.447 0.910 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)CCO1 1211862498 GRPLYSHWLNILAG-OLZOCXBDSA-N 436.303 0.798 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286346765 BOAKTKUOASQHQM-SFHVURJKSA-N 449.581 0.969 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286774841 KYAYUPBADCLXIM-LSDHHAIUSA-N 429.568 0.371 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1286778678 CVZSTEGDXZCWDR-AWEZNQCLSA-N 426.543 0.340 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1286778681 CXSSWNPWKHMQQB-CQSZACIVSA-N 428.559 0.443 30 10 ICEE CC(C)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288003474 APWRNKVPWWEISG-IGGDJGDASA-N 429.525 0.839 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1301578366 YLSYXSFGDSHCAB-UHFFFAOYSA-N 433.534 0.841 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359221584 HGUGRQZBKJQNBN-INIZCTEOSA-N 445.524 0.580 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)s1 1468504796 NWTWPIHIFVXXTR-AWEZNQCLSA-N 425.536 0.702 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 1479279761 XGJCBMXQDAOWKV-UHFFFAOYSA-N 429.477 0.250 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1539445046 ZZNCCSARNCHVFF-UHFFFAOYSA-N 426.525 0.912 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)C1 1540891842 AGKZXPAVIJVTKL-GVDBMIGSSA-N 426.539 0.767 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1552884579 DLDILHMKIJFODO-HNNXBMFYSA-N 448.505 0.336 30 10 ICEE CCOC(=O)COCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1556657017 WGOZBEXFZODVHC-HNNXBMFYSA-N 425.507 0.836 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(N)=O)c1 1588181546 WPEVWBSWVYGFBO-INIZCTEOSA-N 442.545 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)COCCO2)CC1 1588930117 NXBJWVQGLPCZRC-XMSQKQJNSA-N 431.537 0.943 30 10 ICEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC(C#N)(C(=O)OC)CC2)C1=O 1617961217 PXQBYHTVEBFFTE-NRFANRHFSA-N 427.461 0.654 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CCO1 1620354919 DSEHAVJHPXQRAF-HRCADAONSA-N 425.511 0.105 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1ccnc(C#N)c1 1640005089 ASCSFMCJQJEJHG-QGZVFWFLSA-N 430.486 0.811 30 10 ICEE C#CC[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1648130511 RDIFAELDQMJTEV-SFHVURJKSA-N 435.546 0.763 30 10 ICEE C#CCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1662982340 IKKAHIOGMPOLCK-UHFFFAOYSA-N 429.564 0.480 30 10 ICEE C#C[C@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)C1CCOCC1 1674597481 VPCHKEZBCNICBH-IBGZPJMESA-N 433.530 0.986 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1690527489 PCHJSQGGNMGBGR-MRXNPFEDSA-N 449.537 0.772 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C)C1CC1 1690545676 WJAYGTNLNVMOLR-MRXNPFEDSA-N 440.570 0.634 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690675019 NQUPPTSTLOHDPU-LJQANCHMSA-N 431.522 0.274 30 10 ICEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1691108897 DZRAMNUVYFVATF-AWEZNQCLSA-N 428.584 0.683 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1698318781 LBJZIHYRENFNIX-HUUCEWRRSA-N 432.462 0.480 30 10 ICEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1698365181 BCGBLDHZYJYGDS-UONOGXRCSA-N 442.567 0.235 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCOC2=O)CC1 1705632495 RVCWEKHCWMZMGG-UHFFFAOYSA-N 431.541 0.794 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1705700615 WILLBTZDYUXVNB-IKGGRYGDSA-N 437.566 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1705938043 LKMGRIDGWZIVAD-UHFFFAOYSA-N 437.497 0.875 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)NC)CC1 1722447066 CVPOZLMXQPGHSC-INIZCTEOSA-N 438.554 0.035 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1729342564 HJOMEXQMSUOYQC-HOTGVXAUSA-N 446.489 0.822 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740726420 ZLWFCQSMECSPPJ-VAMGGRTRSA-N 438.550 0.472 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCOCC2)CC1 1740818613 PARQHEHJLOFPBO-AWEZNQCLSA-N 426.543 0.327 30 10 ICEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1748725679 JVPMYVSVNYQFFC-SFHVURJKSA-N 448.549 0.740 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NC[C@@H](C)O)nc1C 1872706960 WWQKCNSBOHDUGZ-MRVPVSSYSA-N 425.423 0.305 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCCOC)CC1 508903386 OQXNNUUGIUOFHO-QGZVFWFLSA-N 443.570 0.819 30 10 ICEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)n1 532419906 CBXNZZQLBAFFLS-UHFFFAOYSA-N 431.477 0.813 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 574123670 NFWKKNIMZLPSFU-UHFFFAOYSA-N 435.509 0.699 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 603798529 MZRVHNBSXKFTAV-INIZCTEOSA-N 431.489 0.494 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)n1 611600944 AMEQVVVQBXJUPP-UHFFFAOYSA-N 434.453 0.363 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1 756124794 OKJDDHHIGNCINF-YOFSQIOKSA-N 430.574 0.981 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1140132255 AXUABSBLKJAAHN-UHFFFAOYSA-N 431.294 0.537 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1286391734 FSFVIEPEGAVDJJ-ZWKOTPCHSA-N 447.565 0.908 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300485603 XLQHMLABZUZRGK-CABCVRRESA-N 431.584 0.310 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300535822 OBORHVPQHUAVEQ-IBGZPJMESA-N 434.500 0.856 30 10 ICEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1323727519 GUSMNRFDKUBZIU-QGZVFWFLSA-N 438.506 0.705 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1358967827 TWDJNZJHTZKJFV-QZTJIDSGSA-N 448.549 0.648 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1358969681 UKUZWKJQMNQHKK-MRXNPFEDSA-N 434.566 0.752 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1359090414 AUUZENUPICXDIP-XIRDDKMYSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359296860 XAXWTWJQZRNUSQ-UHFFFAOYSA-N 443.533 0.591 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359298368 XFHCWPJPDJLLNQ-UHFFFAOYSA-N 439.520 0.718 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)COc1ccc(C#N)cc1OC)CCS2(=O)=O 1456899567 XGDDBHLVDKMUCP-CHWWFWEZSA-N 436.486 0.961 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499637290 ATQRDQQDFYCLKZ-KIJUOZEOSA-N 443.508 0.656 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1507564866 YLIGBOIOOHFOGP-HZPDHXFCSA-N 438.554 0.116 30 10 ICEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539454093 IDBVUEHKCLVIIY-UHFFFAOYSA-N 435.594 0.706 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1539516807 DKABSQNCGATXII-IRXDYDNUSA-N 439.607 0.899 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540873347 VYKFJZALQYIFAL-GOSISDBHSA-N 425.537 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540902858 SGERGMXBXNSRPC-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540905555 SURDORAMUPKBBM-QGZVFWFLSA-N 439.582 0.905 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1541803131 CVYZWGVAQYVVLU-IRXDYDNUSA-N 437.570 0.611 30 10 ICEE COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555381569 ONYPGWFYZSZTRU-IOASZLSFSA-N 438.510 0.641 30 10 ICEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1555837463 VQVIBSJODCDBDV-CZUORRHYSA-N 425.518 0.715 30 10 ICEE COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1566438665 FHOCDGGCJHPGLW-CQSZACIVSA-N 435.234 0.956 30 10 ICEE C=CCCn1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nn1 1568832606 CMHMYYBJBJPFNM-MRXNPFEDSA-N 426.525 0.431 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1595796647 AWKBZGYFGBEGAK-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595844936 KBTPGKZSMVKQRM-QLFBSQMISA-N 442.611 0.865 30 10 ICEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)nc2c1 1611972761 APUCXVNJUMSKGO-HOCLYGCPSA-N 444.521 0.622 30 10 ICEE CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1613670382 FXOIIHUGZUITTM-INIZCTEOSA-N 440.570 0.902 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1617619040 DPNIFHPXALVZGG-MRXNPFEDSA-N 425.493 0.909 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1620354478 GFZFMPOCNAEGCQ-MRXNPFEDSA-N 444.517 0.717 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(CNC(=O)OC(C)(C)C)n(C)c2C)CC1 1623499079 PBZXJEVMIDDLMW-UHFFFAOYSA-N 431.537 0.865 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689988530 QZTILBOOMPLMAC-JKSUJKDBSA-N 435.550 0.673 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1690092811 WZDQXQVKTHKNCI-HTXNQAPBSA-N 441.492 0.127 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCC2)n1 1690109178 JFNXDSBYHHRNIR-QGZVFWFLSA-N 427.509 0.627 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1690671120 PEJYCFCXIAEWPJ-MRXNPFEDSA-N 425.555 0.471 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677383 VVHKYPKDRWGOJC-JTSKRJEESA-N 446.552 0.822 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705659389 UTZMCWHPPMSUPL-OAHLLOKOSA-N 432.506 0.323 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705929916 AKOHRHMIEHDXJU-HNNXBMFYSA-N 435.554 0.979 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705943462 BOYOLLWJBRITDD-HNNXBMFYSA-N 449.581 0.322 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1712884008 DRLJKXBZZHDLCF-WMZOPIPTSA-N 426.477 0.813 30 10 ICEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1722307244 SIQJHDYXOGPMCD-UHFFFAOYSA-N 438.536 0.987 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722505158 AMZCDGGRZOOYRS-HZMVEIRTSA-N 437.566 0.828 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722728542 WTBPZASGSMSFBC-MRXNPFEDSA-N 433.538 0.481 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CCO1 1722844308 RQTFNZILSPOXQO-IBGZPJMESA-N 428.493 0.557 30 10 ICEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740792280 GQOXULPQZMVTOW-UHFFFAOYSA-N 432.525 0.256 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1740986106 SIKIPTXPRSMBTO-UHFFFAOYSA-N 440.570 0.322 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740990917 JPSKNJBFSXGWOV-IAGOWNOFSA-N 436.582 0.895 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1740995745 WGIKWUJMANBFCF-CQSZACIVSA-N 438.554 0.649 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1748771221 HAFPLUQPEZIYLA-HNNXBMFYSA-N 433.538 0.238 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1748802675 QXFKVSYVQNMXEU-INIZCTEOSA-N 437.566 0.692 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748935520 VYKLWCMISTTXDN-SFHVURJKSA-N 437.547 0.279 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1749668812 FKJHLHNNXACWOV-DLBZAZTESA-N 437.566 0.878 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1750956990 GPNGXPYVUZLSHL-SFHVURJKSA-N 426.543 0.608 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1760137391 JGJMIXMFXZYRSQ-MRXNPFEDSA-N 438.554 0.116 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760520387 LVBDDEVXGQIBFN-OAQYLSRUSA-N 440.508 0.400 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1768289957 DAWUALMZWWISMA-MRXNPFEDSA-N 436.542 0.198 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1771162736 JRWLZSWCMHOSIH-UHFFFAOYSA-N 439.520 0.226 30 10 ICEE Cc1ncn(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(=O)c1C 1889370497 WKRZZLGWPZRQQM-UHFFFAOYSA-N 443.592 0.897 30 10 ICEE COc1cc(C=CC(=O)OCC(=O)NCCN2C(=O)CSC2=O)ccc1OCC#N 2040416808 FBTFDUYTJARRJJ-UHFFFAOYSA-N 433.442 0.966 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CO)C1 2267198229 VLECNXVSPUNSID-OAHLLOKOSA-N 448.329 0.830 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 460809313 MNMYGFRPQVHZOS-KGLIPLIRSA-N 435.572 0.056 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 512460443 RPFRHVQIVDEMBH-OAHLLOKOSA-N 433.475 0.949 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 538497162 DEXUUYFCGHLIMB-UHFFFAOYSA-N 430.555 0.720 30 10 ICEE C=CCOc1cc(NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1-n1cnnn1 586267972 CABBTQBFOYYOAQ-UHFFFAOYSA-N 429.462 0.925 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 781527505 BEVMXHWVWQWSEQ-UHFFFAOYSA-N 425.532 0.285 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 790105045 BKILYUQHNQQUPL-UHFFFAOYSA-N 445.545 0.987 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1286600490 ABTCCMIOAHXRBM-UHFFFAOYSA-N 426.543 0.188 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1286940553 BUFCATONKJTUGZ-SIKLNZKXSA-N 440.504 0.964 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301945184 VJLFMNAASPRNKC-ZPHPHTNESA-N 431.497 0.092 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)CCOC1 1360347242 FLQQHAJMVOEIFG-JXFKEZNVSA-N 434.497 0.890 30 10 ICEE CN(C)C(=O)CN1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1443393063 QSIKKEFVOFKATL-SFHVURJKSA-N 440.504 0.432 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1462894969 HOFYJDFLPFKRBP-HUUCEWRRSA-N 438.568 0.627 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCOCC2)CC1 1507719259 MCMIQWFQGVUQDI-QFIPXVFZSA-N 433.553 0.615 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519594885 UVCWTZCRRKSCNE-MRXNPFEDSA-N 430.538 0.456 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCOC)CC1 1539430215 HKDKRLQDFCVOSJ-FGZHOGPDSA-N 435.569 0.861 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539721387 AHHYVMHQQMUYAH-GOSISDBHSA-N 446.552 0.934 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1555959025 MTRCQJJQWSPGDD-MOYODAKZSA-N 443.508 0.541 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1565589850 BEMIPRIVUBRNGW-HTAPYJJXSA-N 436.553 0.733 30 10 ICEE CCOC(=O)CON=C(C(=O)NC1CN(C(=O)OCc2ccccc2)C1)c1cc[nH]n1 1570267756 AYZASDMCPSXHTR-UHFFFAOYSA-N 429.433 0.831 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1588140594 ZAYRKYTZXREMQF-KURKYZTESA-N 435.550 0.499 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1588946295 AYSFGNNVINSPEJ-UHFFFAOYSA-N 438.598 0.770 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595569542 IXSRSQWWDLOFKA-KRWDZBQOSA-N 439.520 0.758 30 10 ICEE C#CCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1643134256 QTHIFZGKMGSVJC-ZACQAIPSSA-N 425.551 0.434 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCO[C@](C)(C#N)C2)C1 1687572817 YXVBMMVTHMFYOF-KBXCAEBGSA-N 430.527 0.735 30 10 ICEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)NCC#CCN(C)C)CC1 1687889291 RUCCVAYOAAJRDN-UHFFFAOYSA-N 428.942 0.930 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1690972428 BTTHMEGXLALNGO-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1705598527 LALKNYGTLFLJNX-JKSUJKDBSA-N 427.502 0.058 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1705628631 LWSNROZYNCSRJK-IAGOWNOFSA-N 439.538 0.390 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N[C@@H](C)CC)CC1 1705647451 GOPFEXLFNRMRDW-DOTOQJQBSA-N 443.552 0.500 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1706678108 BULUXBMCNLTCMR-UTKZUKDTSA-N 435.525 0.979 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1708152217 AOGUIFWYCPMNTD-LXXYJFLHSA-N 429.481 0.323 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1722361442 NGESMJOLYHQZPG-KRWDZBQOSA-N 442.549 0.672 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)C)CC1 1722438419 RKTQNLVXXRZQHW-UHFFFAOYSA-N 427.509 0.533 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1741730855 FSRATJQFCCXYTE-UGSOOPFHSA-N 428.440 0.429 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1748814825 JSVBYSIESBRGND-DLBZAZTESA-N 426.539 0.809 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1749023479 SPBNDYGRZMYAFU-HNNXBMFYSA-N 442.611 0.559 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760187655 KUJCCLCSQYEXSO-KFWWJZLASA-N 430.477 0.833 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1760280772 IVAWKGKTGVQALV-OAHLLOKOSA-N 441.579 0.825 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1767483035 MPZUNPSSDCCAGG-UWJYYQICSA-N 432.525 0.965 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2CCOC2)C1 1771361799 PVXLCIKGRCMTRO-IRXDYDNUSA-N 438.554 0.778 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H](O)CN)c(Cl)c2)OC1(C)C 2282502991 SLGWBCREXONHLB-SNVBAGLBSA-N 425.143 0.891 30 10 ICEE C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 28699468 JECYAFLIIXDABQ-UHFFFAOYSA-N 438.506 0.706 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCCO1 477456883 CRUOFXZXXBVSQW-CYBMUJFWSA-N 431.539 0.964 30 10 ICEE COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 508947270 CMFCQYOGZQJEMR-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 514648709 QLPDKQFYDBLZQA-INIZCTEOSA-N 440.481 0.802 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H]4CCCCN4C)CC3)CC2)o1 532559662 LCNITAXFSXOHLG-IBGZPJMESA-N 429.569 0.605 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1Cc1ccon1 540695031 QGFYPVUJAUBPFZ-UHFFFAOYSA-N 439.497 0.687 30 10 ICEE Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 543816539 NRTWGGWFVCGCDX-UHFFFAOYSA-N 443.485 0.037 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765146759 WMZFLRRBHFETQK-UHFFFAOYSA-N 448.508 0.869 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)CC2)o1 856547622 GYUNLYRRPJFZGY-ZWKOTPCHSA-N 437.504 0.354 30 10 ICEE C#CCNC(=O)CN(CC(=O)NCC#C)S(=O)(=O)c1cc(Br)ccc1C 914875223 ZRMBAUBPLLGIFI-UHFFFAOYSA-N 440.319 0.247 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1286457335 MHINOIVKFPLQKW-AWEZNQCLSA-N 436.538 0.889 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2OC)CC1 1297519850 DLAAPYXVXHZFQZ-UHFFFAOYSA-N 441.269 0.807 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC2CCOCC2)CC1 1300682577 HUGZPUDCKQUKTJ-KRWDZBQOSA-N 438.598 0.850 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301579454 SDCKMLJXANLZKI-INIZCTEOSA-N 448.553 0.320 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1314138768 DWFVEUJOVCVPJA-APWZRJJASA-N 441.554 0.874 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1359333087 OAFOLYXUWUGWRU-GJZGRUSLSA-N 446.595 0.642 30 10 ICEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCN(C)CC1 1442999751 GHSXWCRDUMUBTP-AWEZNQCLSA-N 428.468 0.979 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)CC1 1443351783 BXXWDHZOEDEWSB-HXUWFJFHSA-N 444.532 0.602 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)s1 1471858452 MMRXSUKHFSGKJL-ZDUSSCGKSA-N 437.547 0.954 30 10 ICEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1478685166 ABOFACUFMZZECI-UHFFFAOYSA-N 431.518 0.957 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507523736 OZRYNJQTUFXYMD-BBRMVZONSA-N 434.464 0.367 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1507643207 RYGFCDLIYWRDRD-MRXNPFEDSA-N 438.517 0.590 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCOC)CC1 1507903751 ULWGCBKSXKBICG-QGZVFWFLSA-N 443.570 0.676 30 10 ICEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519173565 RERDCRBDTRMLLW-AWEZNQCLSA-N 434.526 0.128 30 10 ICEE COc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c(OC)c1 1538308390 CXVAQMYYUFJTDS-YRVVQQKDSA-N 433.486 0.453 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1539222437 WARLTTXPFBLNER-XLAORIBOSA-N 438.550 0.339 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1539706832 VFWGMXSVUUKMKD-CRAIPNDOSA-N 427.527 0.183 30 10 ICEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539757833 AKCMBBGELNPSCM-UHFFFAOYSA-N 432.569 0.804 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1540863327 UEYQBEOEQWPHKF-ZNMIVQPWSA-N 426.543 0.196 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1540866984 HEJKVJNNWWERJE-SFHVURJKSA-N 435.488 0.747 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588120347 LQBKOTYDUBLJHC-MJGOQNOKSA-N 441.561 0.956 30 10 ICEE COC(=O)CCN(CC#N)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1595570604 CXWWUIPZTHMDGS-UHFFFAOYSA-N 432.296 0.985 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 1623295569 DLWFUZDHOBWFTM-CQSZACIVSA-N 436.460 0.435 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@]34COCCN3C(=O)COC4)C2)C1 1635845437 QFOBHEMVINXKGH-ZEDYHNJOSA-N 448.520 0.517 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCOCC1 1690066469 IBQLREBFOLCSPW-UHFFFAOYSA-N 435.492 0.662 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1690675316 WPPTYYGIPOQJSB-UHFFFAOYSA-N 439.520 0.735 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCCC1 1692799399 HAFVHLKUVNHUGG-GOEBONIOSA-N 426.543 0.966 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705639385 MXMXKSZTJKYAGG-MSOLQXFVSA-N 446.577 0.831 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1705805979 UFSSMDYUUPVHBN-HNNXBMFYSA-N 431.584 0.536 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1705831871 FYJCBTQELKZBRZ-UHFFFAOYSA-N 431.541 0.987 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705934750 WCNDLOYAMJAWNV-NWDGAFQWSA-N 437.444 0.598 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1722402396 MEGOVJFWSBEYQJ-DLBZAZTESA-N 426.587 0.705 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740623196 PTEFALFHJLEKFM-IAGOWNOFSA-N 432.550 0.118 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741108902 KPLQHAGNLOHLAZ-JVMRMLDLSA-N 443.508 0.098 30 10 ICEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C 1741862348 GWRDZCAWVIXMGE-INIZCTEOSA-N 447.565 0.760 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CCO1 1748210836 WSVAKFZHQRBKRK-GOSISDBHSA-N 439.520 0.930 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1748717586 DASLZLIZGOHBFA-INIZCTEOSA-N 434.566 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)CC1 1748977101 CTNOIXVEJWVMOZ-QGZVFWFLSA-N 431.566 0.590 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749226388 PIWTUNNAFVASGZ-MRXNPFEDSA-N 442.524 0.947 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1749755969 OVNWGORBRVFDKQ-CQSZACIVSA-N 428.584 0.561 30 10 ICEE CCO[C@]1(c2nnc(N3CCN(C(=O)COC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1765906149 ANVNPCUHLYOYGJ-OAQYLSRUSA-N 444.492 0.738 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)c1 1771343487 AJUGNDILEUXIBM-INIZCTEOSA-N 444.517 0.604 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2=O)CC1=O 1853843865 GFXFZOWBUXUAMI-HNNXBMFYSA-N 435.502 0.398 30 10 ICEE COCCN(CC(=O)N1CCN([C@@H](C)CCC#N)C2(CCCCC2)C1=O)S(C)(=O)=O 1854450137 YDPGSBIIEZQEQX-KRWDZBQOSA-N 442.582 0.960 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255660077 BLLXXOXGGGVGAF-UHFFFAOYSA-N 430.236 0.953 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255815146 JIQDKUMBJFNBCZ-UONOGXRCSA-N 436.318 0.429 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](CO)C(=O)O)cc2Cl)OC1(C)C 2284403293 OQLFMSJGWKSGAV-QMMMGPOBSA-N 425.721 0.672 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 429303697 CITNBTCVCBSQJZ-HXUWFJFHSA-N 427.549 0.850 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 510927102 ZGEQWTHPADAXFF-UHFFFAOYSA-N 436.944 0.902 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CC(N)=O 541165774 VAZMYNWVLCPVQA-UHFFFAOYSA-N 443.912 0.856 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603798910 PQSOFZFDMDRBJN-OAHLLOKOSA-N 433.555 0.806 30 10 ICEE CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920274 GKHAYEPBFIDTJV-GOSISDBHSA-N 448.545 0.809 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 728531601 LQJCXROBLNQFKD-LJQANCHMSA-N 428.508 0.500 30 10 ICEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781652936 BWTCXDNBKQOYRI-UHFFFAOYSA-N 444.557 0.852 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)ccc1F 785430951 RMTDSPVGMNXWER-NEPJUHHUSA-N 429.470 0.476 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@]32CO)[C@H]1C 1078018410 LYJKREGDQDJIDC-LUFSUDMVSA-N 433.457 0.485 30 10 ICEE biogenic N#Cc1cc(CN2CCOCC2)cn(CC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1=O 1166220885 FNFZOOBXDYQUQX-OAHLLOKOSA-N 426.395 0.675 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)c1 1251127850 LWYXXCZSLVDDSF-UHFFFAOYSA-N 437.382 0.810 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286380438 IJDPZBNJQYGUCH-CQSZACIVSA-N 436.563 0.856 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1286381927 PQKBHMXMJCXRAN-QGZVFWFLSA-N 435.550 0.734 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cc[nH]n1 1286438167 RDLPWBUGMITNAA-UHFFFAOYSA-N 441.517 0.961 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1286787850 KIDLGTCNVCPVRO-KRWDZBQOSA-N 437.508 0.483 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1288840030 FVTXSSITUCZOHB-SCLBCKFNSA-N 433.542 0.604 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300495697 JOKXRQDUXMKCHB-HUUCEWRRSA-N 436.563 0.811 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300504597 ONPNWWBTZQGZTB-OAHLLOKOSA-N 444.579 0.266 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301589753 WKCGBXWAHHPMSD-HOCLYGCPSA-N 438.554 0.423 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2)cc1 1313044684 AYVAPUTYFORJNA-IBGZPJMESA-N 447.561 0.827 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1359009898 BJJOHFIURLSOSB-HZPDHXFCSA-N 425.555 0.886 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359009934 BZAOJXXHFMULFY-ZFDMEJTGSA-N 432.506 0.166 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CC1 1359038491 YGWOLCQREDKFIN-HXUWFJFHSA-N 443.596 0.393 30 10 ICEE N#Cc1cn(C2CN(C(=O)CNC(=O)c3ccc(Br)cc3)C2)c(=O)nc1O 1457200107 NIJZIRZZUWBZEA-UHFFFAOYSA-N 432.234 0.396 30 10 ICEE O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1457998923 FLPXFTQTLHPGOE-UHFFFAOYSA-N 430.442 0.388 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1501431708 FBFQDJGCLKPOME-OAQYLSRUSA-N 425.493 0.909 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1507672050 TYURLGSOTMVMFZ-GOSISDBHSA-N 436.582 0.414 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1507716863 VFVQDOHAVZHJES-UHFFFAOYSA-N 433.520 0.801 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507868068 DYELIWWIIHCAAQ-OAHLLOKOSA-N 444.989 0.579 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1507979698 CBQHNBLCXICXSG-AWEZNQCLSA-N 437.551 0.991 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)ccc1F 1529089708 FWECMMJGQYXYRJ-UKRRQHHQSA-N 442.465 0.857 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539261176 ZUYWDJXKMNKRLV-HOTGVXAUSA-N 438.454 0.955 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1539416958 WGAIXXLPOFDXCL-HZPDHXFCSA-N 444.579 0.091 30 10 ICEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1540816871 VPHIMYHAIBHNOO-LSDHHAIUSA-N 431.555 0.998 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540874243 ZDBRSSBZVADWFE-UHFFFAOYSA-N 445.568 0.786 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 1543572391 FQUNATUXNAOZIR-MSOLQXFVSA-N 439.472 0.659 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)CCN1C1CC1 1555992672 ZBKKALAFZHPOMW-QGZVFWFLSA-N 440.508 0.501 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1558329136 KGUYYXWUWDOPPH-HOTGVXAUSA-N 437.518 0.823 30 10 ICEE C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1565049699 IMKUJLCIOXLENG-JKSUJKDBSA-N 429.539 0.843 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)c3nn(C)cc3I)CC2)c1C#N 1585100715 IDLLUURTDXMHBV-UHFFFAOYSA-N 439.261 0.901 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1588054089 KPXGOCOWFIBIBN-UONOGXRCSA-N 445.492 0.528 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595536856 HGIXGHPZKJOUGP-KKSFZXQISA-N 428.468 0.768 30 10 ICEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1596392134 DOZQUGDTZGYGJG-OAHLLOKOSA-N 428.532 0.270 30 10 ICEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1615625920 SUFNNGLIFXRJAW-HZPDHXFCSA-N 426.543 0.572 30 10 ICEE N#C[C@@]12CN(C(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1635696728 BMQCIJGEVFHKAO-XOBRGWDASA-N 443.460 0.556 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H]1c1cnn(C)c1 1638999069 AZLACZUNMDFKBA-CPLYBDICSA-N 438.488 0.683 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)c1 1646277139 PSMKJOMKZSUQJR-UHFFFAOYSA-N 429.502 0.749 30 10 ICEE CN1CCN(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1647750828 OILAIKFEMBEJHY-UHFFFAOYSA-N 433.578 0.665 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1653725580 JSPQBSRAIOKNJE-LBPRGKRZSA-N 431.488 0.624 30 10 ICEE C#CCC1(NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CCOCC1 1659968056 UMLHVFXWRUDLOE-UHFFFAOYSA-N 427.461 0.874 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1689847607 CTALQXOXSNADPK-ZIAGYGMSSA-N 434.522 0.888 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689986940 ZVQQXGIYIIABCZ-HNNXBMFYSA-N 449.558 0.544 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1690020107 YUFIRQLSVOCAHZ-SFHVURJKSA-N 435.513 0.882 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1690129269 SWWJDSHVQYACLO-UHFFFAOYSA-N 448.531 0.786 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690668723 GOKCGDCTKHFTSD-MRXNPFEDSA-N 438.492 0.423 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705886910 HNGAJMMQHNSTSQ-DLBZAZTESA-N 425.603 0.679 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1705904061 DDLUKRJYQJJMDT-OAHLLOKOSA-N 438.554 0.294 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705905388 TZHSLQZTBVYLLL-MRXNPFEDSA-N 432.912 0.776 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2O)C1 1705934114 BLXIWRAUMATJAR-OAHLLOKOSA-N 432.506 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705936713 XASCCHJIUDGFMM-CABCVRRESA-N 447.583 0.058 30 10 ICEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722328532 SAMGZUFSTDDJFM-UHFFFAOYSA-N 440.504 0.767 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)CC1 1722565684 BERXVABBKHHBQF-SFHVURJKSA-N 436.582 0.501 30 10 ICEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722603254 HLYIEHXBWLFQEH-GOSISDBHSA-N 446.552 0.646 30 10 ICEE CC(C)[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1741304109 FGNDDGFMYNTQKQ-APWZRJJASA-N 440.570 0.758 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1748639448 HLPXLZMVRVGRKH-UONOGXRCSA-N 426.543 0.825 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748717621 DVSUDVZTKPYGIT-HZPDHXFCSA-N 428.580 0.997 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nccs2)CC1 1748973016 VEAPLXQVLWRKFG-CABCVRRESA-N 437.595 0.904 30 10 ICEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749032220 YWWSMQKWGLFJPS-UHFFFAOYSA-N 439.545 0.634 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749630196 OWJNOXFSVPPSQC-CVEARBPZSA-N 425.555 0.928 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1751228856 ARZWWEQDYSRLRX-ZIAGYGMSSA-N 434.526 0.126 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760155404 XLFVCCAGMCASPY-SJLPKXTDSA-N 447.565 0.752 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1OC 1760464325 FMXYAVGRJZVBHA-JYJNAYRXSA-N 429.543 0.285 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1760549051 VKVMZCTYRLWCLD-AWEZNQCLSA-N 436.542 0.487 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760565596 AJXAAICIZFEMGF-UONOGXRCSA-N 427.552 0.740 30 10 ICEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1853567947 XCAYCBUKGYDNAY-LJQANCHMSA-N 441.488 0.563 30 10 ICEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1962821819 BJDNTAFXCOXKEV-ZWKOTPCHSA-N 427.505 0.958 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2141246951 DZZUBZXRILKPAP-CYBMUJFWSA-N 449.317 0.873 30 10 ICEE Cc1nc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ncc1C#CCCO 2189857407 CHEFKKUPNLZQSK-UHFFFAOYSA-N 428.470 0.947 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NOCCNC(=O)OC(C)(C)C 2247951218 IBDYRWNXXNNBAZ-UHFFFAOYSA-N 446.335 0.454 30 10 ICEE COCCC/N=C(/Nc1ccc(C(=O)O)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 21047190 QGVDATMEMXVFOH-UHFFFAOYSA-N 447.536 0.666 30 10 ICEE C#CCN(Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1 111191804 JFOASOXUHCZRHH-OAHLLOKOSA-N 438.575 0.929 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447775519 DVXKXQBSVJZDBY-UHFFFAOYSA-N 447.520 0.643 30 10 ICEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 504280797 KYBWFUYWTCTXRN-DNVCBOLYSA-N 429.539 0.901 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CO)CN2CCOCC2)CC1 559258469 UOZABKIKQWWGSM-MRXNPFEDSA-N 429.477 0.832 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CCN1C1CC1 732707249 XUHHDJCRHMJARV-OAHLLOKOSA-N 435.481 0.503 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCN(Cc2ccccc2)CC1 741339204 CNDPMALWFHUOMC-QURGRASLSA-N 426.473 0.791 30 10 ICEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746746184 QNGYQVWPOPBSGE-SJKOYZFVSA-N 428.445 0.406 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccn(C)n2)C1=O 765547040 IULMXPGGOSWJPM-GOTYSUTNSA-N 443.577 0.926 30 10 ICEE Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 773300984 GBMHWVJNWMRVQZ-ZCXUNETKSA-N 444.398 0.946 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837286031 RDPLHUOSGJWIJU-UHFFFAOYSA-N 434.525 0.952 30 10 ICEE CN(C)CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCS(=O)(=O)C1 1137189308 NDGMMOIJNNOXQH-ZDUSSCGKSA-N 431.511 0.314 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286389667 OGRSXLRGNGPGDB-ZKNHNOBHSA-N 435.550 0.407 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286515470 YXFRHWZDVSRMRX-BZSNNMDCSA-N 437.566 0.710 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1286557608 WPYRBXNSISWJOQ-QKLQHJQFSA-N 445.568 0.469 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1286822396 DMKKBEKXINOWND-OLZOCXBDSA-N 429.572 0.021 30 10 ICEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1299690541 GNLYDKIJINJFLE-ARFHVFGLSA-N 442.542 0.011 30 10 ICEE C#CCN(c1nnc(CC)n1CCCN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1300499831 XSGMIICSANEGBN-OAHLLOKOSA-N 431.584 0.139 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)N(C)C)CC1 1300700599 SSUPPYISSKHACY-OALUTQOASA-N 436.626 0.912 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)(F)F)CC1 1300705717 CEBTXFRGNOTCGA-UHFFFAOYSA-N 438.458 0.573 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301508002 CQBSZIMFBWYDGQ-MRXNPFEDSA-N 429.525 0.786 30 10 ICEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1302982029 DMFQWGJXWQCQPY-DOTOQJQBSA-N 428.518 0.953 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1358872772 YSCLYKWCCZKRAA-UONOGXRCSA-N 436.513 0.915 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1358984794 HJTSKTUKUNHWOJ-QGZVFWFLSA-N 434.566 0.754 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1359008255 KHKKNBBOBRIJIG-AWEZNQCLSA-N 426.568 0.067 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1359031090 PPDUNDLYZJBDTR-KNQAVFIVSA-N 432.569 0.406 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359221768 MQGCPCURVSIJPJ-MRXNPFEDSA-N 447.540 0.776 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1449430008 UXBPOUULEBWVMA-OWCLPIDISA-N 439.534 0.401 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508059479 VIRHQKUOKPDPAE-AWEZNQCLSA-N 431.584 0.617 30 10 ICEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1508704004 WBKOYAFZTYIRMY-LVQVYYBASA-N 445.524 0.914 30 10 ICEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1516606648 BNPSTHANEJOYEP-HNNXBMFYSA-N 431.497 0.798 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1517413697 NIQMZGIUOHSSHG-FQEVSTJZSA-N 432.550 0.754 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)C1 1521062245 BGDJAYWLVNDQBF-JTDSTZFVSA-N 440.545 0.469 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539204033 XZVLFXFQBPSDIL-KRWDZBQOSA-N 436.582 0.529 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1539498343 SMFSVYYEFYRMAG-ZDUSSCGKSA-N 428.584 0.360 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539775677 OCAZJISQPXROND-SWLSCSKDSA-N 437.975 0.656 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1556504081 JTRXHDUMFMWWGJ-MSOLQXFVSA-N 449.596 0.106 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587862599 XEJYPRDLDUPQRV-HUUCEWRRSA-N 434.522 0.066 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588030519 WRTVEKCSQXIGEW-HNNXBMFYSA-N 428.580 0.853 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595537608 UDDNBHFJQDBMMU-KRWDZBQOSA-N 427.484 0.997 30 10 ICEE CN1CCN(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CC1 1627209691 QNGDPFOBTQKDKL-UHFFFAOYSA-N 448.549 0.004 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1631908744 CCVMAVGYBPTUNQ-ZFWWWQNUSA-N 442.563 0.434 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1686181839 YCYZPWKFIPAEJB-UHFFFAOYSA-N 446.533 0.438 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CC2)CC1 1690110613 UCFFSGAJWQOGNZ-SSEXGKCCSA-N 427.534 0.592 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690844343 ZYFVQHUQTHJGRO-CZIZESTLSA-N 436.476 0.535 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)COC2)n1 1705631648 LNAXLKWZDACDRE-KRWDZBQOSA-N 427.509 0.748 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCS(C)(=O)=O)CC1 1705642832 IYEPGLDNMXDKIC-UHFFFAOYSA-N 433.534 0.666 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1705902566 HJSCNFBVIZCAKW-UHFFFAOYSA-N 444.565 0.323 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1722372932 GRLNZOOVNOAAFG-HNNXBMFYSA-N 440.529 0.295 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1722397203 HMJVCVHSMWADSE-VQTJNVASSA-N 425.581 0.966 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722411041 WVRXTXNFMUZFEJ-HNNXBMFYSA-N 427.509 0.943 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)CC1 1722432718 ZMFZULWBYOPHPM-OAHLLOKOSA-N 433.538 0.095 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)C)CC1 1722452450 GUXAEDXPVZMZNS-NEWSRXKRSA-N 432.569 0.918 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722529163 PPFWBNDRCYOWQT-RDTXWAMCSA-N 428.559 0.443 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1740632874 QDNAEEFTMXUMLY-UHFFFAOYSA-N 427.534 0.756 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1741000885 HQRQEAFBRNGSSD-SJORKVTESA-N 447.609 0.891 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCN(C)CC2)CC1 1748994721 OPDBNBSIPXXFLP-UHFFFAOYSA-N 445.637 0.983 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749020462 UCQGPHYKFSUJGU-UHFFFAOYSA-N 433.582 0.091 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760188179 NBCVLLDHDFYNOM-OLPIVMHESA-N 437.566 0.653 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1760270025 RXLUKQSLICCABC-MRXNPFEDSA-N 435.550 0.325 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cc[nH]n1 1760290149 XQGPJSLFKVVSIX-SCLBCKFNSA-N 434.526 0.034 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760555902 QHIAFXLRXMFTLM-CVEARBPZSA-N 425.555 0.878 30 10 ICEE CCOCc1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766312731 BMGFHNCJLYEVQN-MVZUJROASA-N 443.508 0.542 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1770343525 MQXNAEDYEJROES-UHFFFAOYSA-N 447.521 0.499 30 10 ICEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1770682562 DPSMDBHABWWJGJ-OTSFIGDKSA-N 443.508 0.759 30 10 ICEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)CCNC(C)=O)cc1 1870160249 IKBQHQZXLKTHNS-UHFFFAOYSA-N 440.508 0.675 30 10 ICEE C#CCCN1CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286044916 MTVUEZAXUNUFQO-QZTJIDSGSA-N 437.518 0.471 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482558167 NFXAXXPSKAGBAQ-ZDUSSCGKSA-N 426.523 0.804 30 10 ICEE CN(C)C(=O)CCN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488264502 OHJGMRIRQKQYGO-IBGZPJMESA-N 426.521 0.465 30 10 ICEE N#Cc1ncn(CCNC(=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 569398590 GSCHLEHDRGOUFF-KPRAIHJYSA-N 442.479 0.745 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 590914116 DACBYETZMRKAAN-ZBFHGGJFSA-N 428.514 0.138 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)CCc1ccccc1 685542644 YCGAYESCGHSKIK-SFHVURJKSA-N 435.550 0.838 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c1 744602062 XGKJBGCAYBXLKP-AWEZNQCLSA-N 430.486 0.983 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1C#N 787082185 ZDAPCMVAFWOEGR-GOSISDBHSA-N 439.394 0.873 30 10 ICEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 813980605 IZHGGDKTRNWDTH-DOTOQJQBSA-N 430.490 0.880 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134052528 FZNZYNZVHRYYAB-YJBOKZPZSA-N 425.532 0.727 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1286299096 SEBNQXMGZWHBQZ-IAGOWNOFSA-N 444.561 0.918 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)CC1 1286475540 BLSVVNXDHSXRFC-UHFFFAOYSA-N 427.534 0.511 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)CC1 1286491474 SZBNCVHSXPVBGP-UHFFFAOYSA-N 445.474 0.611 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1286810182 OGAJVJRRYFWKTK-QWHCGFSZSA-N 433.481 0.343 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286819335 HAYUGIJFAUMIAG-HOTGVXAUSA-N 437.566 0.961 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301497766 CZESLYPLMQRDPI-QVKFZJNVSA-N 445.524 0.636 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301498319 MUJWEQQAKQGQML-BEIWTESXSA-N 430.534 0.905 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)CC1 1301508628 OMYXGVNJUUMPMP-UHFFFAOYSA-N 441.565 0.996 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)CC1 1313434536 PPNKDMGRXUDRAA-GHTZIAJQSA-N 431.562 0.561 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)ccc1Br)[C@H]1CCS(=O)(=O)C1 1318303038 VQXADNUQLHPPFW-NSHDSACASA-N 449.348 0.620 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358956372 DXNBLPKPHJGMNR-UWVAXJGDSA-N 440.566 0.980 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358990901 GVOMWBBRQSCIBQ-UHFFFAOYSA-N 444.499 0.405 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359298767 LDMIXWUMWQCBRE-INIZCTEOSA-N 431.541 0.615 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)CC1 1471451448 SPXIRWRDGLPTSB-UHFFFAOYSA-N 449.483 0.865 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1471539206 WFDNLKLGRVBBTE-IBGZPJMESA-N 436.578 0.677 30 10 ICEE COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1504533212 ZPRBSYLISBSIGT-UHFFFAOYSA-N 427.465 0.322 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507621746 BWACEQNEQUWRCH-HZPDHXFCSA-N 445.549 0.502 30 10 ICEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1507633411 DJHNMZWQENBHLM-QGZVFWFLSA-N 428.518 0.790 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C(C)C)CC1 1507737726 DVKCEAGPXALTTP-KRWDZBQOSA-N 443.552 0.357 30 10 ICEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513310568 IPPYZEFFNIBGSW-QFPXGYFVSA-N 445.524 0.948 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1539026268 STQOEHXASRSCOA-OAHLLOKOSA-N 440.595 0.237 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1539202356 HGBIRBZPPAWIQP-XDQVBPFNSA-N 433.531 0.046 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1541733809 WGMDYWMIHVYIIF-WHSLLNHNSA-N 432.525 0.962 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588058675 AEAPZWDXMXKLNP-UWJYYQICSA-N 448.520 0.786 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1594097829 ZLXKBOIRAJNFDN-GVDBMIGSSA-N 441.554 0.307 30 10 ICEE CC#CC[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1639840987 WYHGJTUSXXQPBO-MRXNPFEDSA-N 425.482 0.183 30 10 ICEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)c1 1641584539 OCQIWNFGZBHXGS-OAHLLOKOSA-N 439.497 0.881 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OC)c(OC(F)F)c2)CC1 1683633172 IZPBTAVEUQKICD-UHFFFAOYSA-N 446.476 0.634 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1690047499 SECRJSALTWXDKV-QGZVFWFLSA-N 440.591 0.858 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1690672436 RPMXKVRZYQXOEI-OAHLLOKOSA-N 438.529 0.971 30 10 ICEE CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1711032974 QKIZNHJOQIMKDC-BFESSNOMSA-N 431.522 0.697 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1Cc1ccc(C#N)o1 1712555492 CORRLQGRDRXXIW-HNNXBMFYSA-N 432.481 0.810 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1722359274 RHZIIDAJFAKZJZ-INIZCTEOSA-N 437.566 0.860 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1722630175 WXUFKEIYUVGBMK-HZPDHXFCSA-N 425.555 0.865 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1722690011 CVMXDBKHKZDWFR-RDJZCZTQSA-N 448.549 0.768 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1722763819 GQAARKYYLGILBI-YESZJQIVSA-N 436.538 0.167 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1740686929 YLVHGOWLSXJEGJ-QGZVFWFLSA-N 437.566 0.669 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740950949 NQMMXLUEQCNFGG-KRWDZBQOSA-N 445.568 0.949 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748817757 PTOFVESFFRGCFT-IAGOWNOFSA-N 440.591 0.997 30 10 ICEE CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749888092 CBSQVTHHZQQOFC-OAQYLSRUSA-N 426.500 0.870 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760187647 KUJCCLCSQYEXSO-ILXRZTDVSA-N 430.477 0.833 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCn2cc(CO)nn2)CC1 1760267912 FTLUFSOMNAHTPU-UHFFFAOYSA-N 449.519 0.480 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760523971 MEKMZWOZNJGEFH-SJORKVTESA-N 432.525 0.302 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1767656828 RXLHGOKKRDOGCP-KRWDZBQOSA-N 445.549 0.718 30 10 ICEE C[C@H]1CN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1856734783 YPTRQGVSKPQHGU-QFBILLFUSA-N 432.546 0.832 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CCc3cccc(Cl)c3)C(=O)C2)C1 1856837954 AUABQUAAMYYHSF-KRWDZBQOSA-N 438.937 0.871 30 10 ICEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@@]23CCCC2=C2C(=O)CC[C@]21[C@@H](C(=O)OC)[C@H]3C(=O)OC 1933242752 SVIQUYNSDHRIFR-MVPKKMEOSA-N 434.441 0.987 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248419900 JWRPSUWEJKZCMX-NSHDSACASA-N 440.331 0.834 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH][nH]2)n1 2267183201 DTBGMDQVQGMSKO-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2326733875 ANWZSYRUFCSAIK-MRXNPFEDSA-N 433.314 0.815 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@@H](C#N)N2CC[C@H]1C2)NC(=O)OCc1ccccc1 2368607507 SHFLUBIYDWJHOX-BBWFWOEESA-N 436.490 0.066 30 10 ICEE Cc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)s1 59888350 SOKZFBBJFMKZMD-OMCISZLKSA-N 436.527 0.947 30 10 ICEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 438594301 FFTUWYLLFMZQDH-NALMEZQBSA-N 446.529 0.795 30 10 ICEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472191584 LDRSPBBQMUJHML-UHFFFAOYSA-N 437.547 0.905 30 10 ICEE C[C@H](O)CN1CCN(c2cc(N3CCN(C[C@@H](C)O)CC3)c([N+](=O)[O-])cc2C#N)CC1 587857220 CZJBVLXSZCXLPZ-DLBZAZTESA-N 432.525 0.472 30 10 ICEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 609101506 QHUJRBUTDKEKOC-IBGZPJMESA-N 433.534 0.248 30 10 ICEE C#CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 731213932 ZKCZWZKRPPSJNA-GFCCVEGCSA-N 442.515 0.691 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956730 GFGKULIQONGOPF-UHFFFAOYSA-N 439.522 0.056 30 10 ICEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1162949630 STUJXKLTVHPPKW-WMLDXEAASA-N 426.477 0.342 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286356986 WXJGRTBVDSMZLC-QGZVFWFLSA-N 427.553 0.603 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1286592473 GZFRVVIHJMOMNZ-INIZCTEOSA-N 426.543 0.246 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C(C)C)CC1 1300710555 GFNXLTADRVWPKM-UHFFFAOYSA-N 429.569 0.820 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301482798 ZXXNWVHGIXDPQA-WMLDXEAASA-N 446.483 0.811 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)c1 1456030052 JWCRIJIXEXTBIH-UHFFFAOYSA-N 428.470 0.954 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 1464343798 WBKNHNDDNHZUQE-QOBDKFOYSA-N 428.536 0.910 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(CCN3CCNC3=O)n2)s1 1471998647 WNMRACKROHNMJG-UHFFFAOYSA-N 438.535 0.615 30 10 ICEE C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493959945 JEQVMNYSJDBAQF-QJGXAYKQSA-N 434.522 0.553 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1507648932 WOWBKSZAMPKTIF-UHFFFAOYSA-N 449.487 0.692 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1507700389 RCBBHJAYUQWUGU-CQSZACIVSA-N 446.512 0.844 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 1507953919 JMKVMYFENUUJCD-SJORKVTESA-N 440.570 0.098 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCCO1 1510219207 RBAMCQXLQDZDCD-BHYGNILZSA-N 437.570 0.634 30 10 ICEE Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510831547 YCCZNLNYAIJWQN-HTXNQAPBSA-N 425.449 0.699 30 10 ICEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1519620388 QHIHJHQIUYAWCL-UHFFFAOYSA-N 443.489 0.829 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2COCCO2)CC1 1539467050 MBJLRNZGTQTMLY-KRWDZBQOSA-N 432.525 0.188 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1545051454 MRPPBXHLOLBZIK-IWHJNQCMSA-N 429.481 0.152 30 10 ICEE CNS(=O)(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1556582783 BZWMHNNKDVXNOM-UHFFFAOYSA-N 442.339 0.365 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1558073301 PSORPZGANIDBJK-UHFFFAOYSA-N 428.555 0.826 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 1558947862 FIKPOJLTDINFPC-UHFFFAOYSA-N 449.533 0.031 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCC[C@H]2C)CC1 1588923650 HNSACMFUHGHSQY-ULYRPOKDSA-N 428.537 0.746 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCC2)CC1 1588968678 OVNFCQIVUCTJRV-ROUUACIJSA-N 431.537 0.883 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)CC#N)CC3)c([N+](=O)[O-])c2)CC1 1640098730 NVKJYMNMMFGWEJ-UHFFFAOYSA-N 436.494 0.093 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C2)c(=O)nc1O 1648028774 NKXKQSVFDBADJC-UHFFFAOYSA-N 446.217 0.611 30 10 ICEE COCCNC(=O)c1c(NC(=O)CN2CCN(C(=O)CC#N)CC2)sc2c1CCCC2 1654491273 MCTFKNHVMHQBDV-UHFFFAOYSA-N 447.561 0.999 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](CNC(=O)NC)C2)cc1 1658320799 NODOSXMVFNBQNQ-OAHLLOKOSA-N 425.511 0.655 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)CC1 1668406862 HCSBDFVTOGGEMC-UHFFFAOYSA-N 432.506 0.579 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1690174168 AAZZKGIIONJUJM-MRXNPFEDSA-N 439.607 0.851 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690175133 QJZUBNWOUJGQAC-HUUCEWRRSA-N 438.579 0.103 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690667701 DTKLFMYINWEQIT-UHFFFAOYSA-N 441.496 0.427 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690674980 MGFJGUGJROREAV-CYBMUJFWSA-N 431.522 0.239 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2CCOC[C@H]2C1 1690726781 LLPMHDUYLWLISL-GOSISDBHSA-N 432.550 0.386 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1705898201 DOXUKOXVOWEXGC-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705938498 AGJCDTDPZKKIGG-RBUKOAKNSA-N 441.554 0.233 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705943463 BOYOLLWJBRITDD-OAHLLOKOSA-N 449.581 0.322 30 10 ICEE CC(C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706307628 UYNVUEYWIVMPLY-OHTQGHCMSA-N 436.538 0.941 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1708152214 AOGUIFWYCPMNTD-GJSVEYNCSA-N 429.481 0.323 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722315076 IIUOAQMTGASDAB-SFHVURJKSA-N 427.553 0.777 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1722381272 MPFQTRNHGSHYCE-UWJYYQICSA-N 428.562 0.510 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722408269 ZDCLNUPIRCQYLV-RTBURBONSA-N 426.539 0.328 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC2CC2)CC1 1722432603 YQSNMVZGDSSUAH-JOCHJYFZSA-N 430.553 0.600 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1727606888 DXVNLKPVQONIFT-QGZVFWFLSA-N 438.536 0.929 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1730924204 IBVVKPGHGABHRE-UHFFFAOYSA-N 448.549 0.998 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cncn2)C1 1740590091 FJANXRVKWXVPCR-DLBZAZTESA-N 448.553 0.457 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740625908 UAJBLZMTGHIPPV-IRXDYDNUSA-N 433.534 0.372 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1740941947 XGEGRAJDBKKCCM-JKSUJKDBSA-N 446.595 0.644 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740995384 JSYYWBCXQCIGAC-APWZRJJASA-N 439.538 0.648 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)N2CCOCC2)CC1 1749018768 FELHWTGMHFZPAN-UHFFFAOYSA-N 432.525 0.029 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1750378805 MUFVWBMKIAFBON-HNAYVOBHSA-N 438.529 0.929 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1760205954 NWDVMNRWDDGMHI-SFHVURJKSA-N 431.493 0.871 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1760528553 GQHBONHUXRTVOZ-VWKPWSFCSA-N 432.525 0.480 30 10 ICEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1770149622 CHVKEKOEBRWLMR-YOEHRIQHSA-N 434.522 0.868 30 10 ICEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(=O)C2)C1 1855006318 KIABJGZGDQRYIO-SJLPKXTDSA-N 439.582 0.095 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)[C@H](C)C2=O)CC1=O 1857096247 JLKYEZFNFWONLE-CHWSQXEVSA-N 441.456 0.747 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN(C)C 1857331531 TUHLHWQDYXOKKE-QGZVFWFLSA-N 434.518 0.071 30 10 ICEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247903023 CQPVJOIIDLTGAN-LBPRGKRZSA-N 444.363 0.911 30 10 ICEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267139905 MDHRKRPDCHZZPQ-UHFFFAOYSA-N 449.317 0.256 30 10 ICEE CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cs1 516374334 ZHMNWYHNJJHQGD-AWEZNQCLSA-N 448.570 0.373 30 10 ICEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)nc1 588196050 FKVRJKPZPXAIDW-IBGZPJMESA-N 432.484 0.960 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(CNC(=O)CC)c1 751974350 MKHNHPPYWZJQQO-OAHLLOKOSA-N 428.532 0.532 30 10 ICEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c[nH]1 765145461 ITJTWFXVDUPYTR-UHFFFAOYSA-N 438.465 0.933 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767880259 LSAKFZXJGVURIK-CQSZACIVSA-N 432.571 0.817 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)n1 788695378 KLZRTKANTNKMFN-UHFFFAOYSA-N 429.495 0.896 30 10 ICEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794646228 FPYZNVOIPWLNLU-INIZCTEOSA-N 445.504 0.622 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 919048539 NPEUMBIMAPPPIQ-UHFFFAOYSA-N 441.509 0.934 30 10 ICEE NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)o1 1141663240 WYJCEXXRTWWZKW-ZZXKWVIFSA-N 435.433 0.633 30 10 ICEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300423021 FQPMRBWXEOLIAK-SFHVURJKSA-N 436.516 0.980 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301479225 WSTCYSBBVGUORD-WMZOPIPTSA-N 447.584 0.656 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1303003422 HAPRHKPQVGXQTG-IRXDYDNUSA-N 446.533 0.791 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359045054 VNSSOPKMGQHMCE-DOTOQJQBSA-N 435.550 0.183 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359049823 WSJWQNHEXLJILD-CXAGYDPISA-N 428.584 0.217 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359333297 TVLRFYTUYLGJHE-HNNXBMFYSA-N 433.600 0.549 30 10 ICEE C#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(=O)OC 1463852952 BKNFPKJBPXCMBO-JTQLQIEISA-N 430.280 0.483 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCSC1 1510171719 DNDXUYIGMLGDBO-GUYCJALGSA-N 428.584 0.886 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(C#N)o1 1510182494 FPPNPGJTXZKODK-CQSZACIVSA-N 437.526 0.170 30 10 ICEE CCN(C)C(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515311979 FXRSSOPOSBXEGM-GCJKJVERSA-N 445.568 0.974 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2CCS(=O)(=O)CC2)cc1 1521094265 COVUGQDWMCPSEP-UHFFFAOYSA-N 449.558 0.876 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539200877 RCVZCIXZIWNCGC-KRWDZBQOSA-N 446.508 0.723 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1539481230 IYSHIEGCTRFZMR-AVRDEDQJSA-N 430.553 0.205 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540905553 SURDORAMUPKBBM-KRWDZBQOSA-N 439.582 0.905 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1COCCO1 1541675506 OJZUQXPKCPPWIJ-KRWDZBQOSA-N 440.508 0.425 30 10 ICEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1541809878 GISUQAPKFPTHAR-WMLDXEAASA-N 445.549 0.941 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1555811082 RTCJCHHYMFXLEM-ZWKOTPCHSA-N 446.533 0.438 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1557967666 VZURGKBNWMTKBO-ZNMIVQPWSA-N 432.502 0.213 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)cc1 1587181193 SGPBNSWRWPQKCP-ROUUACIJSA-N 431.470 0.388 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588055049 RVJWASYHUQVTRQ-ROUUACIJSA-N 443.529 0.556 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1588099591 RRPBBRLLWNFFKG-UHFFFAOYSA-N 442.545 0.747 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C1 1595723682 ZRDJNQVWGSMNLX-FCEWJHQRSA-N 426.539 0.767 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(O)(COCCO)CC2)CC1 1620594080 GNJMJBBWZIWIIU-FQEVSTJZSA-N 434.512 0.370 30 10 ICEE COCC(COC)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1626435829 ALGUFEQTVRTHCB-UHFFFAOYSA-N 438.550 0.311 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 1668749252 PJWACRPPZNPPMS-UHFFFAOYSA-N 431.453 0.500 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1690047814 ZILGIKOOPGOASC-GOSISDBHSA-N 433.578 0.754 30 10 ICEE C[C@@H]([C@@H](C)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)S(C)(=O)=O 1691018807 LKESYMLWLKXKRD-ZZJCVSNXSA-N 436.538 0.940 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705530190 KOMDNSAVWFGDEB-UHFFFAOYSA-N 444.521 0.732 30 10 ICEE CCc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709092742 NVEHRCHFRZAARL-ZZEZOPTASA-N 427.509 0.862 30 10 ICEE CCO[C@@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1710475305 APJULTDOQKXFFG-FQEVSTJZSA-N 429.481 0.905 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1710897738 HKBVIEHQZYFAIF-IRXDYDNUSA-N 443.533 0.471 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711220748 LARSDMUAICVTCB-CZIZESTLSA-N 440.508 0.568 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1722360650 BNEZVBFUERHEPI-CQSZACIVSA-N 446.924 0.797 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1740554211 XJHHTFGSGAUBDX-ULQDDVLXSA-N 447.565 0.528 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1740876242 PKMZIVLRQBINQU-INIZCTEOSA-N 440.570 0.636 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740951392 XIPGDMQLEZVCHT-QWHCGFSZSA-N 430.431 0.972 30 10 ICEE CCN1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1746429214 TXUBFQDTZJODIB-VXPUYCOJSA-N 427.509 0.816 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748993175 QKSKAGOSEWPZBU-LJQANCHMSA-N 443.577 0.443 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(C)CN(C)C2=O)CC1 1760271679 GKTTVRRCCHWAIE-QHCPKHFHSA-N 435.532 0.708 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 1760440244 FGXWKDZZYFEKOZ-HNNXBMFYSA-N 441.558 0.039 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760440971 VBFVMDOVURQIFL-CABCVRRESA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760520489 PFTVWXKYBHBOMW-QGZVFWFLSA-N 427.509 0.413 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1761448192 UANYTQVVTRULOQ-QWHCGFSZSA-N 441.535 0.562 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766728456 MVVYIMNAQWLJMX-DOTOQJQBSA-N 437.570 0.288 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1772564594 DYKUGRWUXYFALI-INIZCTEOSA-N 434.522 0.380 30 10 ICEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(=O)C2)C1 1855006317 KIABJGZGDQRYIO-FUHWJXTLSA-N 439.582 0.095 30 10 ICEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870397490 HTFFLEKSPKOLDY-UHFFFAOYSA-N 446.460 0.747 30 10 ICEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25180622 BYJCZPAJLXTHRJ-GFCCVEGCSA-N 447.439 0.641 30 10 ICEE Cc1c2c(c(O)c3c(O)ccc(Cl)c13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C(=O)[C@@H]1C2 100898540 QVXDDJGWOXLKSL-JKNYTWMOSA-N 431.784 0.748 30 10 ICEE in-vitro C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 109700299 XXZSICABQIFTNF-UHFFFAOYSA-N 445.589 0.734 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)C[C@@H](C)O1 441037084 QHOVEIAYHOPFRN-OQSMONGASA-N 427.571 0.998 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2OC)CC1 508917984 WUNFYYSSGUSWDA-UHFFFAOYSA-N 425.507 0.480 30 10 ICEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 514329057 UMLWKOYGHPGWTK-UHFFFAOYSA-N 442.541 0.397 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](C)O)cc1 546904447 ZZSQREIPZQUVKQ-OXQOHEQNSA-N 443.529 0.638 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC3)CC1 616972051 QHLOJILPNZWAPN-LAUBAEHRSA-N 435.532 0.521 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 733149698 OWLONMKKKXHUGF-OAHLLOKOSA-N 431.449 0.076 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 735173212 TXQOFRMYUMIAFQ-XSOQZJFOSA-N 443.551 0.655 30 10 ICEE C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 804957434 VKKXAVGLQKERBD-UHFFFAOYSA-N 448.588 0.448 30 10 ICEE C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 917139853 JBXAWFABNKZYJF-HNNXBMFYSA-N 429.564 0.396 30 10 ICEE CN(C)S(=O)(=O)NCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1157121274 RWTWTEYBGICIGS-UHFFFAOYSA-N 430.328 0.269 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@H]2C)CC1 1286490870 VROZUZKZJUZLHE-AEFFLSMTSA-N 427.553 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1286815279 QHYGYTMWYKUSTE-LJQANCHMSA-N 442.545 0.938 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1300479092 IDSWHQQGTNRXKR-SJORKVTESA-N 449.577 0.860 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300479847 SUGZLWBZDIJXGD-IAGOWNOFSA-N 435.550 0.567 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCc2ccco2)CC1 1300685588 QRBSZVOLFBOZJS-QFIPXVFZSA-N 442.520 0.595 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 1302924185 JCBWGYFRDAWJGQ-HZPDHXFCSA-N 428.555 0.634 30 10 ICEE CC1=CN2C(=O)[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c3csc(N)n3)[C@H]2SC1 1307335730 ITQRSTUCWZVUCT-GXFFZTMASA-N 425.492 0.613 30 10 ICEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1309984786 FXOOPFHUGPLHPI-OAHLLOKOSA-N 440.522 0.213 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1358890530 QQYBRBAUNBUOSZ-KKUMJFAQSA-N 445.636 0.918 30 10 ICEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1499949253 FRUJWSBQTURJRX-VGSWGCGISA-N 437.504 0.515 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507798595 ONEPYWMRGIPVEG-GGPKGHCWSA-N 432.569 0.973 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2COCCO2)CC1 1507885243 VQIONMLRJUNQEY-IAGOWNOFSA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCS(C)(=O)=O 1508080417 OCSSHBRFSCDTQC-UHFFFAOYSA-N 443.533 0.914 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1539212634 WREHIECLNUPNEN-GOSISDBHSA-N 440.529 0.922 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1539265476 GKINXBOAXVYOBL-HXUWFJFHSA-N 446.621 0.671 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 1539430491 JMDSQAJPPFYGQY-AWEZNQCLSA-N 448.578 0.401 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1541803223 DYAQASZKDWAGSR-ILXRZTDVSA-N 429.568 0.886 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1544784861 MJMNOYBHXSSHAR-APWZRJJASA-N 448.545 0.987 30 10 ICEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555485094 DZIFANCCQNSJNS-ZWKOTPCHSA-N 430.557 0.374 30 10 ICEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CC(=O)NCC(F)F)C2 1555988344 XWKITMQXKARYFL-NSHDSACASA-N 433.419 0.698 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1560027297 YKHWQQOTKYLFTH-UHFFFAOYSA-N 445.585 0.858 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 1564359765 CRPUQPVMUCHBKB-UHFFFAOYSA-N 436.538 0.871 30 10 ICEE C[C@H](CC(=O)NCCS(=O)(=O)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1583882605 FYQCTYGGOUZMCY-SNVBAGLBSA-N 441.453 0.597 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCCOC)CC1 1588806424 QCUMPMLNYYECKO-UHFFFAOYSA-N 430.509 0.814 30 10 ICEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1593650109 KYZJLXDUQLFJOR-UHFFFAOYSA-N 425.537 0.821 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1593746803 NPNHCJVADLIBAV-DLBZAZTESA-N 443.570 0.676 30 10 ICEE C[C@]12CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@]1(C)C(=O)NC2=O 1620487004 NSOCIXBOBFUFSM-MTNREXPMSA-N 427.480 0.519 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C[C@H]4CCCS4(=O)=O)CC3)cc2C1=O 1634781841 AKBOQDGKKLFNJU-MRXNPFEDSA-N 431.514 0.804 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1689872353 WDGUQMFTBFEOES-FQEVSTJZSA-N 431.518 0.446 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)CC1 1690109648 YUMRPWFHGTZNTQ-UHFFFAOYSA-N 427.553 0.528 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690309801 KUSBURMIUNPVBQ-VFNWGFHPSA-N 445.524 0.636 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690722241 BQHYKPFIANMCHQ-CVEARBPZSA-N 432.506 0.876 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1690858811 CMWVFJKLPCDQDX-UHFFFAOYSA-N 446.533 0.832 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1693745262 HYCVWOHVBYIEHK-AWEZNQCLSA-N 433.476 0.637 30 10 ICEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695439875 CHVWGWOVUZWFGG-UHFFFAOYSA-N 434.508 0.798 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ncn(C)n2)c1 1705504300 SGTLAYSNWQWVQN-UHFFFAOYSA-N 435.492 0.649 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705540405 YURJJGXAVOFPPL-IAGOWNOFSA-N 434.566 0.788 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCc2ccco2)CC1 1705644022 XCYUJTMAWNWMQK-PXNSSMCTSA-N 442.520 0.667 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705935421 RCOCRYJMGHOCTE-FQEVSTJZSA-N 430.534 0.724 30 10 ICEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNS(C)(=O)=O 1706314756 JYBBAFYKVXFYGS-UHFFFAOYSA-N 432.554 0.934 30 10 ICEE Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707900293 NZFSUDGYAFXBEQ-DVEDPGPFSA-N 449.537 0.117 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722360350 GLJCXWWCYVXCNP-YWZLYKJASA-N 430.534 0.389 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1722368891 UJXWDGRZONETCC-IAGOWNOFSA-N 428.518 0.494 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740622580 DUPTWGJLRWLHIT-DLBZAZTESA-N 428.518 0.494 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(OC)c2)CC1 1740689998 FQVQVFGJKPTGFE-QGZVFWFLSA-N 446.577 0.895 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740951390 XIPGDMQLEZVCHT-CHWSQXEVSA-N 430.431 0.972 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1744096981 LCRVPIVAWYYOJL-INIZCTEOSA-N 429.481 0.661 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1748979007 SUJKSOKIPILTSS-HSZRJFAPSA-N 444.580 0.992 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749401972 GRCFPYZXOSSUJE-HOTGVXAUSA-N 440.570 0.634 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760279257 WQDKKWAVWOHZFV-UHFFFAOYSA-N 435.579 0.962 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760450662 PIDGARRDDPCKMH-KRWDZBQOSA-N 434.541 0.548 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760542611 NIFAQCLIDZWGTF-GJYPPUQNSA-N 426.539 0.851 30 10 ICEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1766500391 GIOWKVZPQKYNQK-LSDHHAIUSA-N 426.543 0.824 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)Cn3ccc4ccccc43)C(=O)C2)C1 1856858105 OSJWCYRCBOXBIM-QGZVFWFLSA-N 429.502 0.240 30 10 ICEE C#CCn1ncc(NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162289558 JSHMUVQLKSAKAI-UHFFFAOYSA-N 440.298 0.773 30 10 ICEE C=C[C@]1(CO)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286024853 ZZKXIOAOZKXDDA-LPHOPBHVSA-N 442.490 0.034 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1CCN(CCC#N)CC1)NC(=O)OCc1ccccc1 2286033886 ZMTBBAZURMPBRP-QGZVFWFLSA-N 438.506 0.315 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2317606362 VAVKZJDXRODVAV-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447776371 BOTPQMWHJDIXEW-UHFFFAOYSA-N 449.536 0.867 30 10 ICEE Cc1nn(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(=O)c(C#N)c1C 505733303 JZTLDPSBCYJAOF-UHFFFAOYSA-N 432.506 0.687 30 10 ICEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O 603797870 RZNDFQBBNNNERX-UHFFFAOYSA-N 446.598 0.640 30 10 ICEE CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O 609940031 HANFCBPWPRMPJA-UHFFFAOYSA-N 443.485 0.211 30 10 ICEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 734292688 FBECXJGTPXPKAB-UHFFFAOYSA-N 438.465 0.744 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC1CC1 740495035 KCLQPRWXDJIFPL-MRXNPFEDSA-N 447.517 0.273 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 751734585 VKXOTZFAFSZPDF-IBGZPJMESA-N 438.440 0.564 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 751974489 OURHNEADJFDJNC-RHSMWYFYSA-N 427.500 0.364 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 771125039 VWDMHTLCLMQTKZ-ZESIPNTPSA-N 437.522 0.604 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C3CCC3)c2=O)cn1 814251054 CPTLJMAZHNZKJT-UHFFFAOYSA-N 429.546 0.897 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)CC1 1194096481 IXHHWQCOFYTLCL-UHFFFAOYSA-N 442.950 0.971 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1252135465 IJHNIDSXOCYFQP-GJZGRUSLSA-N 442.501 0.803 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286392653 JDODYCPWJQWFBI-KZNAEPCWSA-N 438.550 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1286823765 QOULTXORTSTFIL-CQSZACIVSA-N 437.497 0.909 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286831711 JMUDJDMUESJHQC-UONOGXRCSA-N 429.568 0.051 30 10 ICEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)CCC2 1290288154 XUZPWQVPUBJMEL-OWCLPIDISA-N 448.553 0.700 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)CC1 1300682317 GICBASGKSGIERN-SFHVURJKSA-N 437.614 0.520 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301510556 YRUOMZDEYLXMSU-ZWKOTPCHSA-N 429.525 0.826 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNS(C)(=O)=O)C1 1301567069 SHKHHHLEEAITSU-QGZVFWFLSA-N 445.549 0.847 30 10 ICEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CCN2C1=O 1314922143 FVHRFHPQKPTZOI-GOSISDBHSA-N 425.493 0.772 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCS(=O)(=O)N1CCOCC1 1434929675 GCAQYGRNSKHLGB-HNNXBMFYSA-N 432.543 0.742 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1503725508 MTYFROJFTDGSMX-FQEVSTJZSA-N 445.549 0.718 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1539012013 DLCSXIAOWJRYKG-FPXQBCRKSA-N 425.555 0.620 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1539452314 ONVQGZSHKRRMMK-ZWKOTPCHSA-N 437.566 0.131 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1539538674 LLTRABPZJOJXMV-QFBILLFUSA-N 436.582 0.745 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540035476 CXMOSXHFGAWUHT-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1554445162 WUMIOGXRYJPGDE-QZTJIDSGSA-N 426.477 0.573 30 10 ICEE C=C[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1597001364 ABDFEJLPDWBIIE-KSSFIOAISA-N 425.507 0.784 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C1CSC1 1620320795 MVHUDAOWGMSMNP-UHFFFAOYSA-N 429.514 0.848 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)CC1 1623691305 GCUJWNUUZDIVBW-UHFFFAOYSA-N 446.537 0.711 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689989983 KLPVLNNXJHFSNJ-KFWWJZLASA-N 446.620 0.558 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690310268 ZBSLHODNMPUGHM-OAHLLOKOSA-N 426.543 0.340 30 10 ICEE CCOCc1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696309956 KNJLQICYSFNCNR-DVSFIDLUSA-N 445.524 0.694 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1712318337 HFPHGQGCGWDQGW-UWJYYQICSA-N 425.493 0.818 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1712883984 DFIYUOSRSJKNHZ-KXBFYZLASA-N 435.481 0.286 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722442122 YGCBHPMXVHCFQL-SQNIBIBYSA-N 437.566 0.192 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCOC2)CC1 1722449737 PDHQRIOBZGEPDH-KRWDZBQOSA-N 428.537 0.793 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCN(C)C1 1723337396 GDAQPIZLFQKYGC-VGOFRKELSA-N 439.568 0.920 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1731188125 BRAPTMMWJJFDSD-OAHLLOKOSA-N 449.562 0.447 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1740851393 VCJNFCGUYPNYPQ-HNNXBMFYSA-N 445.611 0.782 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1740961638 GGQGUJPBMUHERR-QGZVFWFLSA-N 428.493 0.131 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1740992285 OFWGQRTZPXGFDY-INIZCTEOSA-N 425.555 0.687 30 10 ICEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741713956 NINMGAVPSZUOHC-IAGOWNOFSA-N 437.570 0.634 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1741905754 MHUDDDONSVRMPI-CZUORRHYSA-N 431.522 0.675 30 10 ICEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748744639 DLDNVRTZOVOLCK-UHFFFAOYSA-N 442.505 0.789 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748818257 YJIDJBNJHAUBHQ-HOTGVXAUSA-N 444.579 0.232 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1748821686 SQKMDXGWYROVPT-KRWDZBQOSA-N 440.533 0.262 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1748980043 XEAZSVKAOMNDSA-UHFFFAOYSA-N 432.550 0.600 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1760154155 AZMYTSJKPVPFPN-HOTGVXAUSA-N 425.555 0.886 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760514736 LZHZKKNUSMXRFC-INIZCTEOSA-N 432.525 0.591 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760528242 WPRCXIWFDQZAHB-HNNXBMFYSA-N 443.483 0.854 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1769985108 XOCWUJHLSZIKEM-KXBFYZLASA-N 441.554 0.682 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)CC2)CC1 1890566380 OQOBWORROKQFIE-GOSISDBHSA-N 445.589 0.224 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1 2247949885 AQAPTEOBERQBQV-UHFFFAOYSA-N 443.335 0.012 30 10 ICEE Cn1nc(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]32)n1 2267549497 ZTVDBTRLGZKUID-BTTYYORXSA-N 447.345 0.957 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)o1 471194591 DXKYARYJFVTIDH-UHFFFAOYSA-N 444.557 0.425 30 10 ICEE COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 509947727 WUSIDZPAAQKATN-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 540603639 QISNZUORJIQIRY-CQSZACIVSA-N 446.489 0.421 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CC1 542705151 PXBUHCVPUKLAKW-UHFFFAOYSA-N 435.550 0.887 30 10 ICEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)nc1 580973705 RGTKPYJROPQMOK-OAQYLSRUSA-N 439.497 0.923 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 735496441 VXMKCGOHIDIBNA-UHFFFAOYSA-N 436.534 0.257 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)CC1 783524969 WJHDTVGZPSUJKZ-UHFFFAOYSA-N 432.525 0.763 30 10 ICEE COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 802341370 DUKGBIJZXGLPEE-KRWDZBQOSA-N 434.522 0.765 30 10 ICEE CNC(=O)NC[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1175292713 WACZFWQGOMAVFJ-QGZVFWFLSA-N 449.533 0.115 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1286523578 ZOZMXDVTYWGVNE-GPMSIDNRSA-N 439.538 0.019 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1286712487 ZYXGZRWATDJWNK-SJORKVTESA-N 425.555 0.294 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286822958 PRYSJIYLJANYQT-UHFFFAOYSA-N 433.538 0.418 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1299302031 KBQPYCAAUBDTBW-JWTNVVGKSA-N 430.534 0.963 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300494953 AEWIIJRCTPNSPO-HZPDHXFCSA-N 447.565 0.804 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N(C)CC)CC1 1300711258 VCKLKBPMLQSYDW-UHFFFAOYSA-N 445.568 0.641 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCC2)CC1 1300722999 OPNQDQWWBPCSBZ-SFHVURJKSA-N 427.553 0.681 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301502937 SYQMLMFCYCEXDN-MRXNPFEDSA-N 431.585 0.958 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1302475057 QEKWLBODQGYONT-FBMGVBCBSA-N 449.537 0.154 30 10 ICEE N#CCCN(CC1CC1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1303012258 AOTJLNOPBYHVGQ-FQEVSTJZSA-N 430.534 0.944 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1315928897 BGHDVPKKFBDYDM-APWZRJJASA-N 440.504 0.916 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1358948471 CXULLWFETAALPW-SFHVURJKSA-N 449.581 0.890 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359298485 BGQXCDBCKXLISO-UHFFFAOYSA-N 433.538 0.422 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 1455115311 NVUSQORTYZEELT-UHFFFAOYSA-N 435.506 0.423 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508073396 XEZHNRRKRIBLRP-UHFFFAOYSA-N 440.508 0.076 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1509808873 VMKOKCZGFRUMFH-KPOBHBOGSA-N 449.487 0.749 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)CC1 1539454582 TUZHZTHSDIKCSQ-QHCPKHFHSA-N 425.533 0.979 30 10 ICEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1555131972 FRFCZUWKXVDSRL-SLTXQBBLSA-N 426.543 0.822 30 10 ICEE N#CC1(C[C@@H](O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 1559604011 RSQBDWOPNNZOOR-MRXNPFEDSA-N 433.534 0.941 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 1588199427 OKCSELVEKYZIDG-UHFFFAOYSA-N 426.861 0.285 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N(C)C)CC1 1588780024 FNECZGZIRYIGRR-UHFFFAOYSA-N 434.508 0.154 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1618544509 ZOAVQDCNFYKRAA-SHUBJWRZSA-N 440.508 0.628 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1645592440 YMWJYXAZCKFNJM-CQSZACIVSA-N 430.490 0.378 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(CN2CCOCC2)cn1 1654466944 HEUCEVUECGQTRL-UHFFFAOYSA-N 429.502 0.981 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689990070 LFOVEUGGUTVUNY-WMZOPIPTSA-N 432.550 0.889 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1690009800 KFQAYKHXVPEAGN-FQEVSTJZSA-N 428.470 0.296 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690496862 ADYWYYVKDSJITO-OAHLLOKOSA-N 433.513 0.482 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690655502 YDVGOZHCFOWWDY-MRXNPFEDSA-N 428.497 0.128 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1696963405 CYWJTGNHQITLLN-INIZCTEOSA-N 432.506 0.203 30 10 ICEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705516893 KQHBZAQYSMAQOQ-QGZVFWFLSA-N 428.537 0.903 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1705559077 QGRRGUDNEPPRRC-KRWDZBQOSA-N 435.550 0.734 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(C)=O)CC1 1705638252 DSVFNCDPHLALJY-UHFFFAOYSA-N 448.531 0.473 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1705843593 JKSLYTAPBAQUON-CQSZACIVSA-N 426.543 0.279 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1710727484 BRUZGGVULMJSQN-UHFFFAOYSA-N 429.481 0.902 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(COC)CCC2)CC1 1722432731 ZUAFQFLPEMJGFE-QGZVFWFLSA-N 438.598 0.850 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1740621003 SOIODEWITCDMMI-INIZCTEOSA-N 441.517 0.757 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1740801501 BAMTTXYZZPCDHS-LBPRGKRZSA-N 440.979 0.113 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740952245 YHICKQBYTMXHTC-HUUCEWRRSA-N 442.586 0.974 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740957531 RBSRLAFYGNSJKL-KRWDZBQOSA-N 445.549 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1740990916 JPSKNJBFSXGWOV-DLBZAZTESA-N 436.582 0.895 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744025365 NLNADFJCAABQDZ-FBMGVBCBSA-N 445.524 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1748690806 YENGFTYTMSJXHM-VXMYLDFPSA-N 428.493 0.986 30 10 ICEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1O 1771487640 ATDHCXAJKUDEAF-CFLQYTFWSA-N 431.518 0.573 30 10 ICEE C[C@H]1CN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853923519 HILAYAUJAFWZEG-QFBILLFUSA-N 432.546 0.974 30 10 ICEE CN1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869960094 JOFMLUBFPBJOMG-INIZCTEOSA-N 429.506 0.513 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCOCCO 1870545103 CFRGWXCKZVJFAY-HXUWFJFHSA-N 449.548 0.705 30 10 ICEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404316 JOCKHTZGAICTLO-LLVKDONJSA-N 441.363 0.653 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412355 JBQLPMNOHOBSDS-WDEREUQCSA-N 440.331 0.568 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC(C3OCCO3)CC2)n1 2282507565 JFFKRLDYBYEHLV-UHFFFAOYSA-N 427.332 0.493 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 27165561 MCNNIHYKLOTJKB-UHFFFAOYSA-N 428.942 0.407 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 108486875 GCOMONXTWBZFQK-AWEZNQCLSA-N 428.942 0.453 30 10 ICEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OC 435140803 KVFLOPRJMWADLG-QGZVFWFLSA-N 426.491 0.490 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCn4c(O)nnc4C3)nnc12 460099728 AARMUMMNEYRMIP-UHFFFAOYSA-N 438.473 0.662 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 520040672 XVHJHSQBGNGSQW-OAQYLSRUSA-N 435.528 0.869 30 10 ICEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546902629 MKMSQZKMWQMNLI-CQSZACIVSA-N 431.522 0.319 30 10 ICEE N#C[C@H]1CN(C(=O)CCSCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 732652280 UDCBBKOTTCOOML-PMACEKPBSA-N 444.605 0.897 30 10 ICEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1135854005 SKKPLEKXHFMQHH-UHFFFAOYSA-N 430.509 0.882 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CC1 1288861579 BHALYTJYSJGQEP-KBPBESRZSA-N 445.553 0.675 30 10 ICEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1291305536 FKQZHDGCCXXUOH-OAHLLOKOSA-N 434.522 0.893 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1300539054 XCQRLDUVTXICDZ-QZTJIDSGSA-N 436.582 0.414 30 10 ICEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301248839 LCZARDKRTKEWSB-INIZCTEOSA-N 426.481 0.801 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1301506377 JWAPYEPOIZSVQB-UHFFFAOYSA-N 433.520 0.991 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CCO1 1303003655 JGISKMYWSQZIPZ-UWVGGRQHSA-N 440.270 0.897 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358954955 BFTFZBAWOMDHMS-BRWVUGGUSA-N 435.550 0.566 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1nccn1C 1447483672 LECIVQDXIVNTFI-JHNDHUHGSA-N 446.508 0.584 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]2CCN(O)C2=O)cc1 1468374002 HCBNDPLNWKISPG-HUUCEWRRSA-N 431.536 0.592 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1507651880 CMKWJSAOLBLFJJ-MRXNPFEDSA-N 448.574 0.773 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508109321 QJRLQOGVEZWNNX-QZTJIDSGSA-N 446.552 0.790 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508159424 NPRSFLUOFVKSBQ-ZIAGYGMSSA-N 428.584 0.666 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539200296 FUSCKODHDNUFFA-OAHLLOKOSA-N 433.538 0.133 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540867805 IJXSARGQBTYMDR-UHFFFAOYSA-N 426.525 0.289 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1541934737 DFISIWFGIXNGRV-TXPKVOOTSA-N 439.586 0.739 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1611686104 AGFXCXLSIXTLSB-KSSFIOAISA-N 443.549 0.441 30 10 ICEE N#Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2n1CCOC2 1623339970 ATNIPQOWUBDDQL-UHFFFAOYSA-N 445.501 0.877 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)cc1 1630144461 GYEZSFCVMSKOEL-UHFFFAOYSA-N 429.502 0.749 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1640364784 CLVCJMHSTVRAQO-CJNGLKHVSA-N 431.518 0.396 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 1666846209 IQYFYRWMCRNKDA-UHFFFAOYSA-N 440.547 0.710 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 1669718266 KQVYTNSOKWWDLL-QUCCMNQESA-N 433.578 0.692 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CC1 1690125245 DHUXPCPVMNKFCV-UHFFFAOYSA-N 434.541 0.703 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690174196 AGZDNDYDOHIGMV-MRXNPFEDSA-N 427.596 0.914 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1722369709 DYNQBVHSMJWNFN-DLBZAZTESA-N 435.550 0.815 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)N2CCOCC2)CC1 1722448658 XBNGQOHHPZPWLZ-UHFFFAOYSA-N 428.537 0.760 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722729879 ZVKWLELWIDBKCT-GOSISDBHSA-N 448.549 0.206 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1740600198 IUGDMISYGVJSGX-OLZOCXBDSA-N 438.476 0.221 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1740610856 NFYJWFVHYHSFPU-KRWDZBQOSA-N 433.490 0.457 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749039031 OKJLCPJMUXXXGV-RRFJBIMHSA-N 448.636 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1749724647 KUZCFIAJJMKFGC-AWEZNQCLSA-N 444.583 0.619 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749744219 HACKNHOQTRQJHZ-STQMWFEESA-N 430.556 0.448 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CC(=O)N(C)C)CC2)c1C#N 1751827315 AMKZTPRNRIDZBY-MRXNPFEDSA-N 427.513 0.458 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1751981124 CLUMSKAJMNMLOB-OAHLLOKOSA-N 443.533 0.519 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1760209489 DOCLKUSNNBIFRC-JKSUJKDBSA-N 441.579 0.319 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)CC1 1760254236 RQUFBXFJNGTQGL-QGZVFWFLSA-N 449.625 0.518 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760514469 GPOMIKLEKZOEID-HNNXBMFYSA-N 430.513 0.869 30 10 ICEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1762348158 LMVGWNMDHANMFJ-GDBMZVCRSA-N 436.542 0.602 30 10 ICEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)c1 1858678050 BKAHOZGDKRWKJW-UHFFFAOYSA-N 425.430 0.539 30 10 ICEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243701676 GHOGPZWUOTYSKB-SNVBAGLBSA-N 428.320 0.473 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)CNCc1occc1B1OC(C)(C)C(C)(C)O1 2249539334 HQKPSWFEEYEBTI-UHFFFAOYSA-N 426.319 0.917 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCCC12OCCO2 2282855808 JOYKVXHQXNJYPN-ZDUSSCGKSA-N 427.332 0.683 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2334388713 ICSCLBCDCBSFJH-VNQPRFMTSA-N 449.313 0.660 30 10 ICEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cn1 59914134 WNQISQUZZKLBSJ-YAXRCOADSA-N 436.527 0.777 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCOC2)C1 461415308 BNZUEDNSSWBRLY-IRXDYDNUSA-N 438.554 0.778 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@H]1CCCO1 540695678 DCAGRUYLIKOGRM-MRXNPFEDSA-N 442.541 0.830 30 10 ICEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cnc1C(F)(F)F 549221145 APNBBPHWESABCM-UHFFFAOYSA-N 433.412 0.307 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 558821231 WAHGQDGNBUNKGL-KRWDZBQOSA-N 431.518 0.775 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 579870156 JBENMQVLPOXRGV-OAHLLOKOSA-N 428.536 0.422 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 619434300 FMMXXHWYXYMLAG-NRFANRHFSA-N 440.504 0.654 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCN1C1CC1 732707204 VRMHYXNTKPYAEA-IBGZPJMESA-N 440.504 0.095 30 10 ICEE C#CCN(C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774035617 IGAWQFIADARXPB-LJQANCHMSA-N 448.545 0.636 30 10 ICEE N#Cc1ccc(N2CCC(NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)nc1 1136582959 BNQCNQBPRSNFJW-IBGZPJMESA-N 425.464 0.897 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 1175514776 IJILJUZGLPXIOX-UHFFFAOYSA-N 433.534 0.542 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1286361379 OGOAJXBUOYOAOJ-CQSZACIVSA-N 434.522 0.396 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1291193673 HAZDCBDKPQHJNJ-HNNXBMFYSA-N 437.504 0.922 30 10 ICEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1300972777 PUCDKYASEMZOFR-UHFFFAOYSA-N 434.541 0.502 30 10 ICEE C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(S(C)(=O)=O)cc1 1313173519 RGLFBPZCLOLRPI-YEWWUXTCSA-N 425.532 0.773 30 10 ICEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1346845208 DOERGUKHEYQELI-UHFFFAOYSA-N 427.490 0.744 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961133 SCMYOQBLGYZJCP-MRXNPFEDSA-N 431.518 0.508 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1358969579 RRMJVQJWYBVZLW-SJORKVTESA-N 445.549 0.362 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1358994626 SJTNOUNSHVUNOL-GOSISDBHSA-N 445.549 0.050 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1359304480 ZAHGDOTYHKHCHB-UHFFFAOYSA-N 442.520 0.763 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCCO 1360240148 BWPTXDXHHPNUQQ-MRXNPFEDSA-N 441.540 0.956 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1447557049 KQKJVETVKZFLKK-LBPRGKRZSA-N 448.933 0.674 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1467814964 PRPPSUSIDMWYED-NRFANRHFSA-N 433.509 0.036 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1469793678 UBPSECUXKUOKGU-FQEVSTJZSA-N 449.577 0.072 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1507736486 QBTDAIBJWAAVKZ-UHFFFAOYSA-N 432.525 0.846 30 10 ICEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1507751738 MUYKAFMMGMDDDS-UHFFFAOYSA-N 447.590 0.931 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1539326299 UOECFKOPKPTZQB-GOSISDBHSA-N 429.502 0.803 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540867440 WJUHNYBAVKLKRD-UHFFFAOYSA-N 448.549 0.728 30 10 ICEE Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543203757 NEFUAOIMKZAJIO-HNENSFHCSA-N 443.508 0.188 30 10 ICEE CS(=O)(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1555818554 AAQULLHQSYKOMR-MRXNPFEDSA-N 429.506 0.559 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(Br)c2OC)CC1 1558073013 IPPLVHNWMRVHER-UHFFFAOYSA-N 446.323 0.692 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CN(Cc4ccccc4)C[C@@H](C)O3)C2)C1=O 1583344868 MPNOQUHIYNMMRV-HXOBKFHXSA-N 440.500 0.855 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)CC1 1588955036 ONGSVPHMAVZRCO-UHFFFAOYSA-N 445.474 0.611 30 10 ICEE C=CCNC(=O)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1595595027 QGUKTPUFFUKAQR-BEFAXECRSA-N 441.554 0.246 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1611710762 DYIMJJWUFDTNLV-XAUMDUMWSA-N 448.549 0.915 30 10 ICEE C#CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1636839166 VEDDOVOWKDIFFJ-ZDUSSCGKSA-N 431.308 0.584 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)n1 1673835008 JTSPWSCAXHHXKE-KRWDZBQOSA-N 432.502 0.909 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689992590 MOHZETFQISCHRH-RBUKOAKNSA-N 436.626 0.741 30 10 ICEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690183345 UWFROZINCHLQTG-CQSZACIVSA-N 448.574 0.587 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1696654124 QEXLJVKJPHBEQI-IBGZPJMESA-N 440.504 0.917 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705551940 SWBDDIQPRBNTDS-QGZVFWFLSA-N 436.559 0.843 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705935128 HWXFIDOHXRFGRN-UHFFFAOYSA-N 435.554 0.875 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1C 1711244919 HRJZEMNAUSKZEE-LBPRGKRZSA-N 432.286 0.952 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1722380068 BNVLCEWJVPINRI-UHFFFAOYSA-N 429.502 0.903 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1722384337 PSGZGPRIAKCOGJ-SFHVURJKSA-N 428.518 0.436 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722695877 SQTVMRSCYULRGY-HNNXBMFYSA-N 433.900 0.637 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722698098 UPYMRTFRYZYCES-UHFFFAOYSA-N 440.552 0.710 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722858550 QUFRUIGANHCMEP-UHFFFAOYSA-N 447.503 0.930 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1cccc(O)c1 1740533111 OYMVVJNNNDVVJF-GJZGRUSLSA-N 448.549 0.872 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1740609965 QVNJODFPGUYTDJ-ROUUACIJSA-N 438.598 0.801 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCC1 1740611227 XGUDUCRSEZUECG-SFHVURJKSA-N 438.598 0.947 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740700990 PYUBQOJECWGLMF-MUGJNUQGSA-N 433.553 0.809 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1740899480 CDZQGLGNCCRQQG-HNNXBMFYSA-N 426.499 0.416 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740959708 CZTYMDJJGXPSRC-NWDGAFQWSA-N 437.444 0.250 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1748896524 DTHXBZIVSBGMIB-UHFFFAOYSA-N 427.530 0.667 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760099523 IABXIZXGOYFEMS-AVRDEDQJSA-N 432.569 0.941 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1760205466 BTPFCTJSATUQJM-QGZVFWFLSA-N 446.554 0.727 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1760516622 ROCTWPZXSYEIGK-HZPDHXFCSA-N 439.586 0.255 30 10 ICEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2cnccn2)c(C)c1 1853410582 ITOAAJVAELEGMJ-UHFFFAOYSA-N 432.550 0.998 30 10 ICEE Cc1cccc(O[C@H](C)C(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856918412 DCXKZWHNWVXKEM-SJORKVTESA-N 434.518 0.361 30 10 ICEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2269045250 IZNWTSKHCBSORD-OAHLLOKOSA-N 443.313 0.429 30 10 ICEE COc1cc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)ccc1O 101443435 LXFSSCMDIJZZIG-DOMZBBRYSA-N 438.444 0.410 30 10 ICEE CC1(C)OB(c2cnc(N(C3CC3)C3CCN(C(=O)[C@@H](O)CO)CC3)nc2)OC1(C)C 204875797 OUACFLOTZNUJSW-KRWDZBQOSA-N 432.330 0.089 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CC1 468270059 JZSQKHGDDMCVBO-UHFFFAOYSA-N 431.537 0.050 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508886492 BCHDQZHLQSQIQN-HZPDHXFCSA-N 440.570 0.538 30 10 ICEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)n1 540258131 FBDCSQZZPMQAPM-UHFFFAOYSA-N 429.525 0.509 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC(N)=O 580027307 VXKCGYNLFJZARV-UHFFFAOYSA-N 441.538 0.343 30 10 ICEE Cc1ccccc1CC(=O)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732468191 GAOGAWWCSSKSTD-QZQOTICOSA-N 425.489 0.918 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3scnc3C(=O)OC)cc2C1=O 768020075 DENOMGSKVZEBKD-UHFFFAOYSA-N 435.439 0.830 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(C[C@H]3CCCO3)c2=O)cn1 772277354 HSVJGINDXVGXPL-MRXNPFEDSA-N 427.530 0.805 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 780204988 JMBRIYFNWXDMFK-NRFANRHFSA-N 437.452 0.924 30 10 ICEE N#C[C@@H](C(=O)CN1CCOCC1=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 790767244 JAPFJMYGWMXTKJ-KRWDZBQOSA-N 448.501 0.367 30 10 ICEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 1084281407 ULCKFWOSXRKWQV-UHFFFAOYSA-N 439.461 0.907 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nncn2CC)CC1 1286485474 MVJCIHMDTTYUGM-UHFFFAOYSA-N 427.513 0.042 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300488911 WZHHXCOWGWAMCJ-SJORKVTESA-N 431.518 0.772 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300500581 BUQUGOCGEQORAQ-QGZVFWFLSA-N 448.593 0.512 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@@](C)=O)CCC2)CC1 1300719839 RVHHAUXOTJLOTC-WJOKGBTCSA-N 443.577 0.946 30 10 ICEE CS(=O)(=O)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1300767483 SDOCCHNIQMMMRW-ZIAGYGMSSA-N 438.449 0.907 30 10 ICEE C[C@@H](C(=O)N1CCC(n2nncc2I)CC1)n1cnc(C#N)n1 1300835639 OZFKBWCJUVDQAC-VIFPVBQESA-N 426.222 0.771 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1301509223 CSXCCDWXDWGXQL-UHFFFAOYSA-N 431.541 0.445 30 10 ICEE COc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1F 1312571946 PLNIBHUCZIJVFI-KSMMKXTCSA-N 436.465 0.907 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358957671 YCAPBGCVOCOKNJ-WBVHZDCISA-N 437.522 0.974 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359036635 CQXAMRSHVLXKGK-NRFANRHFSA-N 447.536 0.313 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1359058124 TUVXGQBMFOVBAR-CVEARBPZSA-N 443.595 0.593 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359302613 NLZWPWGIDOHQTP-UHFFFAOYSA-N 447.565 0.474 30 10 ICEE CN(C[C@H](O)CN1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1445377528 XGAAQPDCCRPIJO-RKQJOMJXSA-N 436.553 0.925 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1507677534 ANYSOVIXKHIQAV-UHFFFAOYSA-N 435.510 0.081 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508074111 MJSLFGBIHCUNLO-KKUMJFAQSA-N 426.543 0.053 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508092643 QPMPEPFIOFLPKF-DYESRHJHSA-N 429.525 0.826 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)CCO1 1521136357 DDLJHCQHWKJJAZ-INIZCTEOSA-N 444.517 0.603 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1539211903 QAERVQRZHOZWLX-QRWLVFNGSA-N 428.518 0.445 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876473 SKPCTEPZIJONHW-FQEVSTJZSA-N 435.529 0.082 30 10 ICEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554483118 BKQKDXJCRMBQNW-OAHLLOKOSA-N 432.492 0.853 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)c1 1559903138 QZSIDHMIYXXMPL-MRXNPFEDSA-N 435.502 0.757 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 1615209338 ORZJRNBATJMLGM-UHFFFAOYSA-N 435.322 0.843 30 10 ICEE C[C@H](CC(=O)NCCS(=O)(=O)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1627963831 DTYRONPGAXPHGJ-CYBMUJFWSA-N 443.547 0.214 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1690715872 XBUOCRYZPHPXHO-GVRJEKJASA-N 443.595 0.724 30 10 ICEE COCCN1C[C@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1698078672 ICFXCOCJLQQSCB-QZTJIDSGSA-N 425.493 0.488 30 10 ICEE CS(=O)(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1698298412 CGTTZSUUKKQEJP-VLGSPTGOSA-N 434.522 0.695 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1722372343 UVLLCESFSBNJBW-QGZVFWFLSA-N 433.538 0.031 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821160 MTTCUHAKWJDABB-IAGOWNOFSA-N 437.566 0.698 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1748906153 PXOJSJLHFCRAJU-HNNXBMFYSA-N 439.563 0.822 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC 1760296012 XRRJMEPREFXIEN-TXPKVOOTSA-N 425.555 0.886 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C)C1CC1 1760477291 WGGWXFUVRAOKKR-OAHLLOKOSA-N 426.543 0.290 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1760519607 JHLQJDHVGCDYIB-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760526710 RUSXBDGNTWBGMX-SFHVURJKSA-N 442.520 0.727 30 10 ICEE CC1(C)COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1761566867 DSJHIJXNRLBKIG-HZPDHXFCSA-N 438.554 0.020 30 10 ICEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNS(C)(=O)=O 1766400436 DIOUODDBYNIPAD-UHFFFAOYSA-N 448.553 0.347 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)CCOC1 1767439616 NMOPQORKQXQJKZ-MSOLQXFVSA-N 445.517 0.433 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770358986 OTSHSQCIGQQUFS-WBVHZDCISA-N 437.570 0.288 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(C#Cc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)C1 1887522817 QPPYETBHWRNQCK-KRWDZBQOSA-N 439.468 0.781 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)CC2)CC1 1890059155 UYJSAAJAQPSJIW-UHFFFAOYSA-N 431.493 0.166 30 10 ICEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255618557 HXTQPXCYUWMFDT-GFCCVEGCSA-N 436.318 0.809 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286048570 JXGMKBBTKNKUTF-DLBZAZTESA-N 436.490 0.368 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCc1ccccn1 537393996 JDXKKUQURICWHF-UHFFFAOYSA-N 435.509 0.509 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)cc1Br 565988077 WGVWMEAHIYVDQT-JTQLQIEISA-N 437.293 0.583 30 10 ICEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 728880312 FFZOKVHQNZVPCP-OAHLLOKOSA-N 447.561 0.317 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 732465188 DIOMWDKILIZRRW-ISLYRVAYSA-N 433.490 0.229 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@@H]3CCCO3)c2=O)c1 763437123 LIXXVXBUHZRQKM-INIZCTEOSA-N 444.582 0.506 30 10 ICEE C=CCn1nnn(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=S 919935254 CXOQLUAKYYLIER-UHFFFAOYSA-N 425.496 0.867 30 10 ICEE COc1ccc(NC(=O)Cn2cc(C)cc(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 1166344373 ACQLHXCJVQGPAJ-UHFFFAOYSA-N 446.485 0.697 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286389109 FVDRVKKWXAYUHJ-OXQOHEQNSA-N 444.517 0.806 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1286395999 CGOVZZSLKIHWLY-INIZCTEOSA-N 425.518 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1286494476 UKYOYWXWFYHJBK-LJQANCHMSA-N 444.580 0.859 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1301588736 ITXJKKNHLIMRGP-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316101557 MTGRWFYWHYDPIZ-QAPCUYQASA-N 427.527 0.088 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1316285472 PMECDHXPFWWUPD-GRDNDAEWSA-N 430.506 0.383 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358960654 IZNXRQYLPLSPEJ-HNAYVOBHSA-N 435.575 0.778 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2conc2COC)CC1 1359045113 XKKVCOGGKLXXNX-INIZCTEOSA-N 441.492 0.378 30 10 ICEE CNS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1449416035 RTVDXVDBBINBLC-HVEKOLDVSA-N 441.554 0.382 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)CC1 1460759683 TXRGJANBRFLNAN-OTQYULQBSA-N 433.549 0.607 30 10 ICEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1505319591 BTSRHRWTNOFBMU-UHFFFAOYSA-N 444.521 0.701 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507623295 URGMAISZJOOEEJ-UZLBHIALSA-N 435.550 0.710 30 10 ICEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507919858 PUKNGDAUWCXSCC-QGZVFWFLSA-N 440.552 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1508131637 OETWFMFUNXAQLV-CQSZACIVSA-N 447.583 0.106 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508140638 PEUIAMYRAHUGKZ-UHFFFAOYSA-N 431.584 0.522 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)NC 1513016075 FGEAEEQDCLSFDQ-HNNXBMFYSA-N 432.554 0.934 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCS(=O)(=O)C1 1539249917 FHBAGVXVBCQCRZ-MRXNPFEDSA-N 436.501 0.428 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O 1540072851 OGDORVGGVWHDMX-CQSZACIVSA-N 428.515 0.076 30 10 ICEE CCCC[C@@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 1559417385 QXMQTJXRHWNGDE-INIZCTEOSA-N 447.517 0.502 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594784160 SJVGXPLEJVHIGH-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1596212475 GJTKZPFWLOPYGV-HIFRSBDPSA-N 432.506 0.750 30 10 ICEE COC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619724586 VVGKCCCJIANXFO-DNTCVELPSA-N 443.508 0.400 30 10 ICEE COCCC(=O)N1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1630378911 NAHLEKSSHOEHQB-SFHVURJKSA-N 441.488 0.907 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(I)c(O)c3)C2)c(=O)nc1O 1648790449 JJFILLYIMHYIRO-UHFFFAOYSA-N 438.181 0.828 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)C1CCOCC1 1684035956 MJBUFKHPQXRSNI-SFHVURJKSA-N 446.529 0.626 30 10 ICEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705685874 KVRFYFKOONJXHT-QWHCGFSZSA-N 439.314 0.575 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1705925313 NTEJMOARFIJHET-CABCVRRESA-N 444.579 0.539 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705934795 XOAOBQIICJZIMZ-CABCVRRESA-N 431.522 0.298 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1705946427 HKLRGYWZPQBKSU-HZPDHXFCSA-N 427.596 0.620 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cnnn2C)c1 1722308762 FZPOEPDKYZOXHC-UHFFFAOYSA-N 430.476 0.912 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722370257 MMWPCLDPGODHQR-MDCZIUGASA-N 426.539 0.371 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1729741765 BIBDVRKPSXBPOK-QGZVFWFLSA-N 442.505 0.409 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731188749 IDYJDOQADMEEQS-UAGQMJEPSA-N 441.467 0.441 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740622470 DFDWTODQPIQBAM-DWRORGKVSA-N 449.577 0.917 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC 1740639303 TZIPOVFGASVMSJ-UHFFFAOYSA-N 442.549 0.074 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740951028 APRVZBDANXUGRX-RRFJBIMHSA-N 426.543 0.196 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740958533 DAHJZRUPKJJTBY-APWZRJJASA-N 429.569 0.837 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749663987 CQPMZEQGJXUQPQ-MRXNPFEDSA-N 438.536 0.431 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1760116674 IYCQTKREKPHGEW-KGLIPLIRSA-N 437.526 0.257 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760181812 BUEBLHXVHWRTGF-GDBMZVCRSA-N 425.555 0.858 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCS1(=O)=O 1770177196 IBGDASAXJHLAPG-JYJNAYRXSA-N 426.543 0.633 30 10 ICEE O=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1771570730 MIPKQXKAORUWSK-DXQAYGFFSA-N 429.481 0.372 30 10 ICEE COC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)CC1 1855740219 QLZMKPSHYUGULU-OAHLLOKOSA-N 434.518 0.417 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2022805485 ASGGMYUYVBSORQ-XWSJACJDSA-N 430.505 0.564 30 10 ICEE CC1(C)OB(c2cncc(S(=O)(=O)NCC(=O)NCc3ccccc3)c2)OC1(C)C 2247878113 HUKGTXMKYARDQS-UHFFFAOYSA-N 431.323 0.976 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)n1 2267547359 JFYAGLOFAGOCTA-NSHDSACASA-N 445.251 0.788 30 10 ICEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2337029297 BWNVPKWJJPVPPL-XYJFISCASA-N 449.357 0.864 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 434526647 QUPJHWGXSPWDGO-UHFFFAOYSA-N 436.538 0.318 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447776993 KPFZYJTYQASLQE-UHFFFAOYSA-N 449.536 0.937 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 508839412 FICWVIVCTKVADG-QGZVFWFLSA-N 432.550 0.902 30 10 ICEE Cn1cnc2c1c(=O)n(CC(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)c(=O)n2C 541121539 MSRDEORKXFUVAD-UHFFFAOYSA-N 438.835 0.783 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CC1 542414959 ZMFVXKPELDJAPZ-UHFFFAOYSA-N 430.509 0.076 30 10 ICEE CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586840129 BETDWGSNBGDYKQ-UHFFFAOYSA-N 425.464 0.921 30 10 ICEE CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CCN2C1=O 618998144 GTELJQVBMMXGLO-ZDUSSCGKSA-N 427.280 0.978 30 10 ICEE N#C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732649505 XXDKESSCHSSZRP-IBGZPJMESA-N 432.546 0.839 30 10 ICEE CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732706007 BCDQVOQWUZJFDZ-FQEVSTJZSA-N 438.532 0.140 30 10 ICEE CCOC(=O)c1cnc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)s1 745813510 NVFBOHUVVANKIW-FOCLMDBBSA-N 448.505 0.678 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767147914 GIIIIYHOBBGYBL-MVWSPQEZSA-N 437.500 0.618 30 10 ICEE C#CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 774050695 AHQHCROYHKUZNA-HLLBOEOZSA-N 437.522 0.173 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)cc2C1=O 918812710 WAYNHRJBQQMERV-UHFFFAOYSA-N 437.474 0.023 30 10 ICEE C=C1C(=O)O[C@@H]2C=C(CO)[C@@H]3O[C@@H]3[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12 936070087 RPCAPUZHOOCZMO-CPJFFQTOSA-N 434.441 0.753 30 10 ICEE in-vitro C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1131944528 GFPOLKPSUBLTLR-CQSZACIVSA-N 426.491 0.493 30 10 ICEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1134276624 ZZPCGPNPJRGIRM-UGSOOPFHSA-N 442.515 0.264 30 10 ICEE C#CCn1cc(CNS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)cn1 1192327718 JTLABWSBQABLRA-UHFFFAOYSA-N 425.268 0.809 30 10 ICEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301169780 HKCBGFOBYTYYPD-UHFFFAOYSA-N 433.557 0.946 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCN2CCCS2(=O)=O)c1 1302986529 GBWNVFZHGQQFOQ-UHFFFAOYSA-N 429.506 0.179 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCN3CCCS3(=O)=O)C2=O)cc1 1330432829 WEKOODWCGSXDSH-MRXNPFEDSA-N 433.490 0.305 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1358964401 YMGIQLMOXVWXGP-QZTJIDSGSA-N 448.549 0.300 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1359016547 FVNFUZGZAICJLO-OAHLLOKOSA-N 444.496 0.531 30 10 ICEE CCOC(=O)CS[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(F)(F)F 1471163321 WHEABXSXLQMEDG-WDMOLILDSA-N 443.469 0.793 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507731330 FXAQKAHIMPRXOH-NHCUHLMSSA-N 429.613 0.811 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507835628 ICMQEWQCLYLMKA-UHFFFAOYSA-N 447.584 0.753 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1539178493 IPQVPPWLVCDHRE-LJQANCHMSA-N 446.577 0.989 30 10 ICEE CO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555150182 MKBBZAALDUGNON-ORQRPPJRSA-N 429.481 0.371 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1565001880 DWFBRVIVBWXKLQ-MRXNPFEDSA-N 430.571 0.928 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1588084776 WQTPFAXTNHESHA-OAHLLOKOSA-N 438.554 0.828 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1593636201 IQCQQYRDIQKHOP-MRXNPFEDSA-N 441.554 0.573 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594783846 KEFONDLJAHFJTE-KBXCAEBGSA-N 426.543 0.197 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccnn1C)C1CC1 1595789405 SCXNSQSWLGVGGV-INIZCTEOSA-N 433.538 0.733 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1617341198 GCVSFNXKRGUFQY-UHFFFAOYSA-N 425.559 0.828 30 10 ICEE CCCn1c(CCC(=O)NCC#CCO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1617901566 SMKMNMDSRKIOGX-UHFFFAOYSA-N 448.545 0.512 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 1635707787 CDKGGPVEFYORLL-MRXNPFEDSA-N 448.549 0.462 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 1640201295 AKFULELXENHKFZ-RTBURBONSA-N 430.480 0.629 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ccnn2C)C1 1643411202 GWNNTDDVXKPUMP-OAHLLOKOSA-N 431.518 0.747 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1643412107 RMQRBTKOZQRFBG-OAHLLOKOSA-N 434.495 0.563 30 10 ICEE CN(Cc1ccccc1)C1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCOCC1 1687548496 CFHAJRLFBYNENX-UHFFFAOYSA-N 440.504 0.801 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1689988059 IIQVJSMNUNWCQU-CABCVRRESA-N 448.574 0.864 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689988195 KTXFJMKFFDAFIG-CABCVRRESA-N 446.533 0.763 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCOC1 1690670706 HMLWZYMADXGKLN-KRWDZBQOSA-N 426.525 0.979 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1698310872 CYAHKQOXHMBOAQ-DAYGRLMNSA-N 426.518 0.896 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705570919 VLJFMNUBWXAAEE-OAHLLOKOSA-N 431.547 0.734 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705908914 JHINJKIXLAHUBF-VWKPWSFCSA-N 432.525 0.195 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712174372 ZJSCXXNDNKXVPX-RBSFLKMASA-N 443.487 0.590 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1722296933 WBRNAHIQWKAZAG-ZFWWWQNUSA-N 441.945 0.619 30 10 ICEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722686427 XXKDLEGOCLNRNN-IAGOWNOFSA-N 425.555 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722725693 QPSWBLWNQGXVAX-INIZCTEOSA-N 440.570 0.370 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727650989 NXPZFTJMUZGJMU-YVHOPFRJSA-N 429.481 0.023 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1729344103 YMEGYAQDQWCQJX-HXUWFJFHSA-N 443.533 0.425 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1740642631 TXQOBKXCDFEILS-UHFFFAOYSA-N 425.562 0.871 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1748814867 KIHDZDURYMTMFG-WMLDXEAASA-N 446.533 0.763 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760527696 FYQIHKLVCOINFJ-INIZCTEOSA-N 432.456 0.250 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1760566086 KVFQWZMSTBTKCL-HNNXBMFYSA-N 431.584 0.757 30 10 ICEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2nnc3ccccc3c2=O)cc1 1852224757 SFPAQRFLWFRVPA-LJQANCHMSA-N 449.467 0.986 30 10 ICEE Cn1cccc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)c1=O 1856348077 XMWCPVLLODTEEF-OAHLLOKOSA-N 425.514 0.877 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(C)cc3)[C@@H](C)C2=O)CC1=O 1857079569 ZVACKJUTDCUMEW-WMZOPIPTSA-N 433.530 0.919 30 10 ICEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243022717 NLJLWEJTSNWRLM-CQSZACIVSA-N 429.514 0.657 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248412368 JFRGTDPLEOUZEL-LLVKDONJSA-N 440.331 0.834 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620838 ZWPHKIJAVYMOAW-KBPBESRZSA-N 436.318 0.809 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2255753737 VVHKKAUXGWWTTI-UHFFFAOYSA-N 448.354 0.786 30 10 ICEE C#CCN(C)CCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270505628 IXLOPKVAZNOIKZ-KRWDZBQOSA-N 425.507 0.329 30 10 ICEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 504016327 FLHPSQVTQIYVLL-UHFFFAOYSA-N 449.577 0.380 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CC1 543653830 UKHSKZLCXCIUBW-UHFFFAOYSA-N 428.470 0.727 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)c1C#N 615953988 HZOGAZJYNYPSIS-XOBRGWDASA-N 428.497 0.152 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 730098188 UXNLBUYADHRKAQ-IPMKNSEASA-N 445.541 0.832 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cn1 735069601 WMVYTBPQPVQNBX-UHFFFAOYSA-N 436.559 0.289 30 10 ICEE C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 737304793 BRXWDLYOFZJELR-MOYODAKZSA-N 441.488 0.881 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 746403293 MMKPVNZYAGQRDV-VIFPVBQESA-N 448.320 0.842 30 10 ICEE C#CCN(C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774187547 QQUQCBKRDSLZKV-LJQANCHMSA-N 432.546 0.557 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1CS(=O)(=O)C1 787453356 LEQPXQOXPUFKBQ-OAHLLOKOSA-N 427.548 0.835 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(Cl)cc1 811963035 FJTVBTRNUMFRDK-GOSISDBHSA-N 439.969 0.834 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)cc2C1=O 876538946 ZHTIYZPPQNHLQN-PBHICJAKSA-N 448.497 0.953 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)C[C@@H]12 1131126662 DLMCRRXVQDYSAA-GLQYFDAESA-N 429.292 0.970 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 1152972917 FWYPDKUTFCQOOQ-UHFFFAOYSA-N 442.295 0.256 30 10 ICEE COC(=O)[C@]1(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CCOC1 1167321908 UDUVDWCLPHWRHZ-IBGZPJMESA-N 439.465 0.213 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 1210111507 KPTNINNEVFZYJV-GJZGRUSLSA-N 425.473 0.573 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1286363504 TZGGHRFKTZXHIA-SFHVURJKSA-N 443.595 0.378 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1286553686 FOZMQFFYVBVPIN-FCEWJHQRSA-N 432.525 0.505 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1286609328 ZWCKQFPRLULBHZ-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1286818731 ZUCXWJFCMVGBFZ-STQMWFEESA-N 437.613 0.431 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300492071 LPUOFMXQJURHIO-VQHPVUNQSA-N 435.550 0.671 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)CC1 1300706627 QFIJCBJIGKYUJS-UHFFFAOYSA-N 444.580 0.989 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cnn(C)c1 1304272294 QNYWTZZVEWDUOA-YZVOILCLSA-N 437.522 0.725 30 10 ICEE CCN1CCN(C(=O)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1306851478 DWBUMXDYHMVKRP-QGZVFWFLSA-N 426.477 0.044 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1455706447 UGHNLXWHUAIGJM-LJQANCHMSA-N 432.546 0.367 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1493191886 IJMMPOWEGLKACT-INIZCTEOSA-N 428.493 0.795 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1504130339 DRQHTKBURKGFKI-GHTZIAJQSA-N 428.493 0.758 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507589219 UXKBRCYNBMTRNN-KKUMJFAQSA-N 439.494 0.139 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCC3)CC1 1507715536 COYYRTXDDOMNAR-UHFFFAOYSA-N 425.541 0.538 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNS(=O)(=O)c2ccccc2)CC1 1507743105 ZIBRHDUMMXZDTL-UHFFFAOYSA-N 444.561 0.785 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)C1 1508124670 MADIKYIDEUMZOX-SJORKVTESA-N 443.570 0.817 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1539178890 LRHAWKBFCXEDFU-LPHOPBHVSA-N 427.571 0.868 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC(C)CC2)CC1 1539452489 UGOQKGRDEZMSEY-IBGZPJMESA-N 434.610 0.667 30 10 ICEE CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552436148 UYLFWKABRUMSDZ-JGVYIQDASA-N 429.506 0.533 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1555993173 JUCRYNWQDNUWQW-RBSFLKMASA-N 439.467 0.314 30 10 ICEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1585977539 USDGYNSAPVBTBY-GFCCVEGCSA-N 431.474 0.641 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1588040600 PBWSWGMGYARFDD-QGZVFWFLSA-N 441.517 0.872 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588646472 KRKWGVGPMXEVOZ-MGPUTAFESA-N 435.550 0.277 30 10 ICEE N#Cc1cn(CC(=O)NCCCNC(=O)c2ccc(Br)cc2)c(=O)nc1O 1611243280 UGWXTFZDUHRWJJ-UHFFFAOYSA-N 434.250 0.519 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CCCC1=O 1618282274 GJVKFDJRXBUEDN-UHFFFAOYSA-N 434.518 0.941 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1619909694 GQUOPCPPZVCBNY-OAQYLSRUSA-N 429.525 0.891 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)cc1 1640305368 FWQNXLWVLQYYPG-UHFFFAOYSA-N 435.527 0.924 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)cc1 1647765358 KYRUGDOSLHALKW-ZDUSSCGKSA-N 435.893 0.756 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2cc(O)ncn2)C1 1653310275 OFMAAWLZYXLDQW-CYBMUJFWSA-N 430.490 0.396 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1689877127 QYTIZVCYRJKLSE-INIZCTEOSA-N 434.570 0.752 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1689961084 KTLDUTOGAXFXEZ-UHFFFAOYSA-N 426.502 0.862 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 1690124344 JMPXDTPKXKMEML-GOSISDBHSA-N 434.610 0.810 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690668846 LOYAGUIMXRXWKT-UHFFFAOYSA-N 435.492 0.537 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705515515 GFOLPLJITHCXGT-KRWDZBQOSA-N 436.520 0.853 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1705582537 CTHSQWVLVCXCPI-GOSISDBHSA-N 429.502 0.755 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CC(=O)N1C 1708234402 MVECEAQKCQBFFV-KRWDZBQOSA-N 441.536 0.974 30 10 ICEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1711566179 CSGXMMSANJWMKL-RKVPGOIHSA-N 442.517 0.478 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722698408 YUDHCGDIFFHNTL-MRXNPFEDSA-N 447.565 0.590 30 10 ICEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)cnn1C 1724128200 CDBAQOAIEMGLGZ-UHFFFAOYSA-N 428.522 0.892 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CCOC)CC1 1740690195 PDZSUBHOCUSHAS-OAQYLSRUSA-N 427.509 0.468 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740961570 FEZUYGZPINGXIJ-QGZVFWFLSA-N 447.565 0.332 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 1747129076 ATBJDDBJIBOWPV-UHFFFAOYSA-N 427.465 0.208 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 1748206359 DQYPMMKTBRCUEF-DYESRHJHSA-N 426.477 0.573 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 1748990463 XGTMWEIMIZAVRQ-QGZVFWFLSA-N 443.577 0.445 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C(N)=O)nc1 1760104522 AANCUEHALIMOSP-CQSZACIVSA-N 428.460 0.921 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760184245 HUSBWQZDZNACDH-MRXNPFEDSA-N 430.534 0.835 30 10 ICEE C#CCN(c1nnc(CC)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760186530 OEAMDMHZGFSRHP-OAHLLOKOSA-N 431.584 0.139 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761244121 YNGQNRPKTHHPDK-VLGSPTGOSA-N 443.508 0.560 30 10 ICEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1766939034 XPAITWJGUOHLRQ-UHFFFAOYSA-N 448.549 0.542 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2255873118 HZFXPWORZRJEQT-UHFFFAOYSA-N 439.322 0.074 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2315532652 IYDRWHZWGATPCD-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE CCOC(=O)C1CCN(C(=O)C(/C=C2/C(=O)ONN2C)=NC(=O)c2ccccc2)CC1 585673337 BBBMRXLLZLVMHY-FWEYAUOJSA-N 428.445 0.862 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@@H]1CCS(=O)(=O)C1 797675221 FVCDGRVKKTYERC-CQSZACIVSA-N 426.520 0.520 30 10 ICEE C[C@H](CC(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1179551006 ADWIJJLVGPVCAP-OLZOCXBDSA-N 427.548 0.976 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)nn1 1230271423 FORLZHUKQCWVEX-UHFFFAOYSA-N 432.506 0.883 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 1254641521 KNDKQWOVTVJNKE-HXUWFJFHSA-N 427.553 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N2CCNC2=O)CC1 1286818018 AUOXTRRTWACKHS-UHFFFAOYSA-N 446.537 0.330 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300492860 PLJLYFRNLRIINJ-HNNXBMFYSA-N 426.564 0.750 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1300501122 HBFGHGXSGJQXFK-LJQANCHMSA-N 448.637 0.883 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1=O 1316127684 ZBUXHIOJJXPSRX-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359299241 ZSTPTNYLAGSPRH-CABCVRRESA-N 447.540 0.977 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCOCC2)C1 1359313504 NKCBYJTZCRCEKD-HUUCEWRRSA-N 429.543 0.211 30 10 ICEE C=CC1(CC(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CN(C(=O)OC(C)(C)C)C1 1456429749 GAXQDURTJHWOFS-AWEZNQCLSA-N 433.509 0.994 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1465170295 KTXXRTKXVMUBLX-CQSZACIVSA-N 436.538 0.928 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1503275739 ZVSIHOASSIZHJL-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1507564864 YLIGBOIOOHFOGP-CVEARBPZSA-N 438.554 0.116 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)NC)CC1 1507731749 CDSGLNSAXWYXNZ-UHFFFAOYSA-N 432.550 0.470 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1509808872 VMKOKCZGFRUMFH-GKCIPKSASA-N 449.487 0.749 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539205774 KJPXKMFWYKKKGJ-UZLBHIALSA-N 440.566 0.982 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1539273563 XKSSJMPUIHUUOL-QFIPXVFZSA-N 437.525 0.904 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)CC1 1539891146 ZIPGJXOLVGWXCW-HOTGVXAUSA-N 431.534 0.998 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511243 DPWGNFHAALPDBL-HZVDNRATSA-N 439.534 0.657 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C1 1595723685 ZRDJNQVWGSMNLX-MDZRGWNJSA-N 426.539 0.767 30 10 ICEE CNS(=O)(=O)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1596982599 MSSYLMISQWRYJL-UARSRXHTSA-N 426.539 0.923 30 10 ICEE CC(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603411694 YCUJFOVFWYWDAO-QSGFHZNJSA-N 427.509 0.718 30 10 ICEE C#CCN(CC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)OC)C(=O)OC(C)(C)C 1629378665 CZCHYFOTDCCEJD-KGLIPLIRSA-N 427.523 0.826 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)C[C@H]1C1CC1 1648062050 GVMJYFPBHOWZGJ-HNNXBMFYSA-N 425.532 0.541 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 1686362172 ORFFMDBQVOHXER-UHFFFAOYSA-N 449.411 0.908 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1689925793 AQBVHKODNJAINX-UHFFFAOYSA-N 443.533 0.591 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1690715946 YNVBFFVXQLMZBJ-AWEZNQCLSA-N 447.583 0.248 30 10 ICEE CC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691885393 YHKRIJUXAJHAFD-ICFOKQHNSA-N 437.526 0.010 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705566761 QYNMKTAOIIHZFE-XYJFISCASA-N 432.550 0.978 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](F)COC 1705674535 LBBXYNKWILUKCP-RVKKMQEKSA-N 429.518 0.588 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1706678107 BULUXBMCNLTCMR-LAUBAEHRSA-N 435.525 0.979 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1712648306 SMPWKUGOSHGAGV-QAETUUGQSA-N 439.538 0.698 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722333496 WMFSZFHWZIRKMZ-HNNXBMFYSA-N 443.595 0.454 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1722372991 CJIYCVXXPFZZRI-OAQYLSRUSA-N 425.493 0.603 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCOCC1 1722389892 NLKSBONXHORHNZ-QGZVFWFLSA-N 437.566 0.794 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC 1722517591 MCDXNHOXJBJWFW-HNNXBMFYSA-N 442.586 0.786 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722695115 SZWVIMQIJRMQFC-HNNXBMFYSA-N 447.517 0.642 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740622812 IXGBMFVRJLKYII-HOTGVXAUSA-N 444.517 0.308 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1740694647 PGRDOTPIBIHOKL-LJQANCHMSA-N 435.532 0.782 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1740991909 HZMUSHJITNYRIN-YJBOKZPZSA-N 441.579 0.911 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1747665748 WIEANRYFWQBHAH-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1750059892 CROJLNWTDXDYHN-AWEZNQCLSA-N 432.510 0.557 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1760555990 RWUSYZYEFSGEHS-KRWDZBQOSA-N 439.582 0.684 30 10 ICEE N#C[C@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1)CC2 1857294894 CQZVXSLPBMOEIA-DOTOQJQBSA-N 434.562 0.801 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cs1 1889555079 FDQIIIZMAVOSHK-UHFFFAOYSA-N 443.533 0.648 30 10 ICEE CCCn1c(C(=O)N2CC(COc3cccnc3C#N)C2)cc2c(=O)n(C)c(=O)n(C)c21 1891787067 ZMHTVQLDCMHNIX-UHFFFAOYSA-N 436.472 0.866 30 10 ICEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)O 2248446125 WAGWTKNHTIJGHV-SNVBAGLBSA-N 442.347 0.862 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2267275389 NLMUWQJPIWBEIL-KRWDZBQOSA-N 441.341 0.745 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)Cn3nc(C(N)=O)c4ccccc4c3=O)CC2)cc1 12677604 SZTYSFJUCAJJPR-UHFFFAOYSA-N 430.468 0.711 30 10 ICEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)C2=O 465125278 AZLWVRHRPOVQQE-FAGJFJLWSA-N 425.493 0.886 30 10 ICEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468276397 CJWIKNGNKRAMGX-HXUWFJFHSA-N 430.486 0.004 30 10 ICEE N#Cc1cc(N2CCN3CCOC[C@H]3C2)cc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] 542525525 MHAMWSIPPSVUSZ-MOPGFXCFSA-N 428.493 0.508 30 10 ICEE CCN1C[C@H](C)N2C(=C(O)[C-]3C(=O)N(CC4=C=C(C)[C-](F)C#C4)NC(C(=O)NC)=C32)C1=O 585661077 ZWONYLISIFOAQN-LBPRGKRZSA-N 439.447 0.191 30 10 ICEE COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 609351310 ISBHYAMCHHWMGH-UHFFFAOYSA-N 439.471 0.633 30 10 ICEE NS(=O)(=O)c1ccc2c(c1)N(CC#CCN1CCc3ccc(S(N)(=O)=O)cc31)CC2 671242243 OOXGAWMPQQDOTP-UHFFFAOYSA-N 446.554 0.410 30 10 ICEE C#CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H]1CCS(=O)(=O)C1 729331115 JLIJGQDDLGHJGU-CQSZACIVSA-N 430.442 0.712 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 748699809 FIANWJPVRLEEIX-ZDUSSCGKSA-N 430.935 0.997 30 10 ICEE CN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 765409029 JBGQBLMNJPACFN-LTGZKZEYSA-N 435.506 0.476 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cn1 768415413 AVKNTRKXBFZYJG-CQSZACIVSA-N 433.542 0.231 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnn(C)n2)C1=O 782988949 ZKMFHZUUXXNMDE-HNNXBMFYSA-N 441.521 0.281 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 788814107 VKQVODPIIKUKOS-UHFFFAOYSA-N 436.490 0.419 30 10 ICEE C#CCNC(=O)CN1CCN(Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)CC1 1194649251 PHCGESZRUDGZIO-UHFFFAOYSA-N 437.525 0.806 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 1286485515 OOHRAJBXXIITHY-OAHLLOKOSA-N 438.479 0.806 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCn1cccn1 1286628688 FCHVFPDMBRHJFP-AWEZNQCLSA-N 429.934 0.696 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1286791243 WBYPZMLVTFYOCT-UHFFFAOYSA-N 443.552 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1286819912 ZHWAKAVVMLJLKG-ZDUSSCGKSA-N 432.497 0.217 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1300537940 MBLCZOXITRWMOM-MAUKXSAKSA-N 434.456 0.852 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)OC)CC1 1300711807 HQJSOOMOFUSMDG-GOEBONIOSA-N 440.570 0.279 30 10 ICEE C[C@@H]1CSCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1305236557 HZEXZGXTZOTHTR-TXXBVZAJSA-N 431.522 0.697 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358939666 BNLCHZOYGHGLPT-QFIPXVFZSA-N 440.504 0.263 30 10 ICEE N#C[C@]12CN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1439796705 OIOQTRUGGNUTCY-SUMWQHHRSA-N 440.319 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)CC1 1475620657 OJZGOCPZQIEXFP-UHFFFAOYSA-N 425.532 0.397 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1OC 1505114008 GXFHCCHQTGGJEA-CALCHBBNSA-N 434.522 0.606 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630886 JHJGITMQFROLEM-IRXDYDNUSA-N 446.533 0.557 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508093839 WOFXIKXCUUGKLO-HOTGVXAUSA-N 437.566 0.614 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1508131319 LMDIEVVMZZVVKL-YOEHRIQHSA-N 449.599 0.494 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539219350 BYJDNXCWTSABQB-HIFRSBDPSA-N 434.547 0.669 30 10 ICEE C=CCSCCn1c(C2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1540916648 ZOFKJXCTGBZVCL-UHFFFAOYSA-N 432.554 0.541 30 10 ICEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1546516519 HTTXGKKJQIWJEE-OAQYLSRUSA-N 444.561 0.978 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C#N)CO)CC2)cc1 1556607282 FQBINEIBOLWJOI-QGZVFWFLSA-N 436.534 0.424 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588049939 NSGPAENSSIIMNB-MRXNPFEDSA-N 446.533 0.293 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588054655 PHZALTNCVJZZPZ-BBWFWOEESA-N 437.566 0.714 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1588595691 YOHXUOTXKSJYMJ-HRAATJIYSA-N 448.545 0.975 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1595884663 PWDIVUKCEGDGPR-INIZCTEOSA-N 429.612 0.868 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1640705436 QKWNPJZBMUCMPX-HUUCEWRRSA-N 427.454 0.833 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689988313 MQTABSLCGBLUPG-CVEARBPZSA-N 444.517 0.308 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690186127 LQGOORBJDSYSLJ-UZLBHIALSA-N 434.566 0.899 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1690219598 HPDCULKZDQRNLT-GHMZBOCLSA-N 449.331 0.438 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690256429 LWQNOGHMUWMSLJ-GJZGRUSLSA-N 448.615 0.572 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1690670652 GOHDDDRHBDJXBF-HNNXBMFYSA-N 441.554 0.114 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690674054 NGKWQURPSVDHDJ-LJQANCHMSA-N 425.537 0.867 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1705931900 FKPGPLNACHNZCE-UHFFFAOYSA-N 436.538 0.355 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722691980 CXMDRDZFIDXZTA-UHFFFAOYSA-N 445.568 0.947 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1723951724 CTFOOSZXLQIDMX-HOCLYGCPSA-N 439.586 0.880 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)C1 1731180424 BBYSSJWKLFIQHP-JKIFEVAISA-N 445.542 0.589 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627795 SMXCPNRLBUROGG-STQMWFEESA-N 449.455 0.087 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740960493 TWGLNTZXFQBEEV-NRFANRHFSA-N 431.541 0.983 30 10 ICEE C#CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1748764726 UKHGRPXYWDCSIM-OAQYLSRUSA-N 427.509 0.930 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1748956862 MFSQIIPKZPVABE-HXUWFJFHSA-N 448.501 0.309 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1749015640 HUXPNMVJJYHION-GOSISDBHSA-N 448.593 0.620 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1760137933 OEWDQBJISGSUTD-SFHVURJKSA-N 447.565 0.883 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760194043 BRMOQZMZCWASGT-HUUCEWRRSA-N 438.554 0.874 30 10 ICEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769931820 QFMIBKSFBCCJIJ-KMMVWKSPSA-N 445.524 0.480 30 10 ICEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC(=O)NCCC#N 1882498092 RRWHLWLCVGXPBG-OAHLLOKOSA-N 425.463 0.589 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 549276018 NKEMPVZSMYNWFE-CABCVRRESA-N 426.543 0.150 30 10 ICEE COC(=O)Cn1cc(CCn2cc(I)c(C)c(C#N)c2=O)nn1 570247741 IXZIVQVCNWMQRM-UHFFFAOYSA-N 427.202 0.640 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 771126095 SEACYESQDXZESR-UDWOFDDZSA-N 437.522 0.604 30 10 ICEE C#CCN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 774171093 AURYDYSZBCQYCX-KRWDZBQOSA-N 442.582 0.761 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 795806351 VZJFZLNVWIKWDD-GFCCVEGCSA-N 434.923 0.519 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1174677868 KPWFLFXZBQQBNU-IRXDYDNUSA-N 437.518 0.698 30 10 ICEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113200 VGTSSJSVOZIGGV-AUSIDOKSSA-N 441.532 0.969 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1286408301 BRNIJSLBBVNECF-IBGZPJMESA-N 449.577 0.891 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286504292 PNDRWMBWPGXRTQ-OAHLLOKOSA-N 437.595 0.811 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1286715416 YXKOXTDAOWNTOZ-RFBLXINOSA-N 448.549 0.318 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 1297649221 AWUHVSUYSZJLNZ-ZFWWWQNUSA-N 449.620 0.979 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2n[nH]c(C)n2)CC1 1300727400 ZWIBZMBHACYHGP-UHFFFAOYSA-N 433.520 0.899 30 10 ICEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1303011081 BVWSDLKJKMFGLR-FQEVSTJZSA-N 430.534 0.944 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1305242435 AJAXCGHRUDBXHN-VHFSOBRXSA-N 431.518 0.980 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1359105919 VNHQIJXENQQXNA-QLDGJZPUSA-N 449.552 0.863 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1359121824 KLAUAEYIPYIRSH-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1359292362 NXLCNMIREBDYMY-OAHLLOKOSA-N 427.575 0.111 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1463732362 GAHKBFIEEXQSTE-GOSISDBHSA-N 436.534 0.982 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccc(Cl)cc2)C1=O 1470351885 PKHIHMAOBYSLOD-CABCVRRESA-N 437.836 0.398 30 10 ICEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507589428 KZVCYQREGITOLY-UHFFFAOYSA-N 441.561 0.974 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1507640784 WBYPMURWPMTIFT-LJQANCHMSA-N 439.545 0.982 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1507672393 ZITWZPARUHIGRC-SJORKVTESA-N 437.591 0.970 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507783893 HFYPZSZMXKMKRA-CQSZACIVSA-N 427.347 0.901 30 10 ICEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507867212 IHIGJNBQCAWYHW-UHFFFAOYSA-N 429.912 0.944 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1540862287 XNRBGYNXMCQIFJ-UHFFFAOYSA-N 439.520 0.849 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540903371 CFDUVNCDRLMCIP-CVEARBPZSA-N 433.490 0.979 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)s1 1556666164 TXNGPFDAZBIGBR-LBPRGKRZSA-N 433.552 0.757 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1559651606 NBRIWXMOHDKECP-DOTOQJQBSA-N 436.582 0.860 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1587989259 IAUSOQTURPGRSE-KRWDZBQOSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1588029026 CDJMVXYVARSHFB-ZFWWWQNUSA-N 429.568 0.315 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029607 JLFVLSHBTSZDPI-QGZVFWFLSA-N 437.566 0.860 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1588139097 LTEDPJIRQLWQRO-GOSISDBHSA-N 446.533 0.531 30 10 ICEE COc1cc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1OC(F)F 1597361778 MKIQQCFSCPTKEV-SGTLLEGYSA-N 443.428 0.423 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)s1 1630275286 PHOARWQPXZOBJI-SWLSCSKDSA-N 437.547 0.799 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1635993900 UMEFONHYGQKFON-UHFFFAOYSA-N 431.294 0.537 30 10 ICEE N#C[C@@]12CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]1CS(=O)(=O)C2 1648416343 YEQNMNMIUVTVHR-DJJJIMSYSA-N 434.474 0.366 30 10 ICEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1659554942 BFXIDAOVMAWEJI-UHFFFAOYSA-N 429.489 0.769 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 1673835009 JTSPWSCAXHHXKE-QGZVFWFLSA-N 432.502 0.909 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1689852976 NLQJLYOHUMVZNA-HOTGVXAUSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689988184 KSDNARKPQNKKHW-ZIAGYGMSSA-N 434.547 0.555 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690670907 LUSAMDMDMIOCFP-MRXNPFEDSA-N 440.570 0.730 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705540100 NAVKYDNKQJAVGX-ULQDDVLXSA-N 430.509 0.888 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1705571143 XDBCYWLEKLFPGK-SFHVURJKSA-N 440.533 0.572 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705571653 FAAMGYJSXLMUES-OWSLCNJRSA-N 440.566 0.911 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)CC1 1705638820 XWCLKVSJERIIMF-IBGZPJMESA-N 435.532 0.343 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722360041 CHCHJLKCADILTP-VQIMIIECSA-N 433.559 0.835 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1722695038 QAJQLAPFBFRBLY-CQSZACIVSA-N 428.493 0.931 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC2(O)CCOCC2)c1 1731179918 BAASWKCXKXLERK-UHFFFAOYSA-N 431.518 0.983 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1731180713 CLRBEVHCRJIFFO-DVOMOZLQSA-N 431.515 0.057 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1740616394 AIVCPLDHFAYJQG-LEWJYISDSA-N 443.573 0.828 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740698276 CSURKBKQAUNUMF-BGYRXZFFSA-N 443.596 0.655 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740960209 NHMNMWUEPKLNRW-HNNXBMFYSA-N 430.488 0.730 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740963401 JTBSKZRJTAEMNW-IERDGZPVSA-N 432.525 0.477 30 10 ICEE CCN(CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1746176844 ODYQGJKZBQGZGT-QFBILLFUSA-N 442.561 0.981 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746737535 JJHOMGOZBIATRF-GHTZIAJQSA-N 444.492 0.784 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748817895 SENVVRZDWUQIOO-GJZGRUSLSA-N 449.499 0.730 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1748841290 XSQVWSZEAHBYKH-INIZCTEOSA-N 428.518 0.726 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCn2nc(C)nc2C1 1749721450 KGNTWVFETGPTNA-UHFFFAOYSA-N 434.526 0.035 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1760175793 RNKLYCJGMBYCGB-INIZCTEOSA-N 447.546 0.733 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760517860 AOPLMZPILXNFBE-OAHLLOKOSA-N 441.492 0.478 30 10 ICEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 1851368902 VARBCVXXSNPETN-OAQYLSRUSA-N 442.541 0.896 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)[C@@H](C)C2=O)CC1=O 1854142919 LTUBFUAVRSUPCG-WMZOPIPTSA-N 433.530 0.919 30 10 ICEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867613709 TWAYPLBVUKBUTI-ZWKOTPCHSA-N 430.486 0.838 30 10 ICEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC#CCN2CCCC2)cc1 1890773682 APUCTHYSDFNASV-UHFFFAOYSA-N 437.562 0.799 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247954082 YBKJXNSPJHSDTH-NEPJUHHUSA-N 442.347 0.663 30 10 ICEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2271687426 GGZKRGYRPOKAJU-UHFFFAOYSA-N 448.329 0.830 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508525 XNZPUSJBOBUEBN-UHFFFAOYSA-N 427.332 0.555 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)COc3ccccc3C#N)ncnc1-2 729460265 HKVVGRCCLGKNSY-UHFFFAOYSA-N 430.266 0.978 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 735069525 VLUVXIPZJLUNPE-QGZVFWFLSA-N 441.557 0.821 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 746006350 GXCCZLPLSLGZKI-SFHVURJKSA-N 433.530 0.842 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758040086 GOUQHWYSRKWFJZ-UHFFFAOYSA-N 437.477 0.128 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ncn(C)n2)C1=O 768418411 STHWBFWKYOPSQQ-LTRAUPRXSA-N 444.565 0.321 30 10 ICEE C#CCn1ccc(CN(CCOC)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)n1 789322844 DHEICHUYQHDCAN-UHFFFAOYSA-N 429.506 0.544 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 799763955 NYNPVFFUEDHTIR-LBPRGKRZSA-N 435.321 0.359 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)ccc1F 1180243653 IABJBYYDWOLWRE-DZGCQCFKSA-N 429.470 0.469 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1286686572 BABDOXRDEATQKA-KXBFYZLASA-N 440.570 0.669 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1286788487 XKJCQQDXODOYQT-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCNC(=O)C1 1286821807 AYAWJFJJYRJBQZ-UHFFFAOYSA-N 428.518 0.887 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1288841491 PRSICZINGAJZIL-IQUTYRLHSA-N 437.570 0.933 30 10 ICEE C#CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1318977301 JPGMZOOJOKSDMP-SJORKVTESA-N 428.470 0.412 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358957670 YCAPBGCVOCOKNJ-RDJZCZTQSA-N 437.522 0.974 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1359010568 TZDPHXXDUUDOSI-QGZVFWFLSA-N 447.565 0.580 30 10 ICEE CCN(C(=O)Cn1cnc(C#N)n1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1470168795 KNILAGRMYKOGKX-HNNXBMFYSA-N 433.513 0.856 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1=O 1504910192 GYCSYCIQJUJANU-QFIPXVFZSA-N 439.520 0.178 30 10 ICEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507585903 QQKOSOGNSROETF-UHFFFAOYSA-N 437.504 0.261 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507621741 BWACEQNEQUWRCH-CVEARBPZSA-N 445.549 0.502 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507623779 XDXORJCUNSXPBM-JKSUJKDBSA-N 445.611 0.951 30 10 ICEE C#CCN(c1nnc(CC)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507633538 HCDHAPPJKSCTMX-IBGZPJMESA-N 436.626 0.741 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1538765232 HRKUCGFVWHXPLE-VDZJLULYSA-N 437.543 0.545 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1539414272 TYFAYUPWZWTPBL-CQSZACIVSA-N 436.314 0.974 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1539615135 GFQJUOFBICXCPA-MTSZKFMLSA-N 443.570 0.720 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1540037116 BLHFHWAOZRALIT-CRAIPNDOSA-N 442.517 0.646 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1540904859 OVXMVRAGDQEYBO-OAHLLOKOSA-N 449.599 0.304 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1540908373 UTQXRLYEVXCXOD-OAHLLOKOSA-N 427.527 0.025 30 10 ICEE CN1CCn2c(CCNC(=O)COc3ccc(C#N)c(Br)c3)nnc2C1=O 1558184214 XUEJEZYFOFGYHD-UHFFFAOYSA-N 433.266 0.736 30 10 ICEE C#CCC1(NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1560154303 HOFPVNBLBSIOLX-UHFFFAOYSA-N 435.546 0.486 30 10 ICEE C#CCN1CCN(C(=O)CN[C@H](CO)c2ccccc2I)CC1 1560211391 GWTSVGNBXBQLCU-MRXNPFEDSA-N 427.286 0.692 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1588647807 YTFWBDHVGGOMON-KRWDZBQOSA-N 432.550 0.776 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595797712 HXVCZRXWNFEZMC-SJORKVTESA-N 441.554 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1595812413 SIZCLPOEVMPCTA-UHFFFAOYSA-N 432.550 0.957 30 10 ICEE COCCN(C(=O)CN1CC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1620441769 YUGGNQXBZXUGFG-QFIPXVFZSA-N 440.504 0.794 30 10 ICEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1640585715 YMFYAOQQZSQMRI-CQSZACIVSA-N 428.507 0.782 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)C2)c(=O)nc1O 1640637128 SQJJSEJUPXEUJM-JKSUJKDBSA-N 443.460 0.186 30 10 ICEE C=C(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1643543659 YQHCJNCACCNUNG-KRWDZBQOSA-N 441.525 0.882 30 10 ICEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1645991478 PTYACSVPXZSZFO-XAUMDUMWSA-N 449.554 0.997 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689990718 QYMYRFKZDXSYQS-MSOLQXFVSA-N 444.561 0.918 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1690077431 OJDNAFWXHSFENB-GOSISDBHSA-N 447.517 0.848 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC(C)C)CC1 1690375854 VTLOJZGQTWPTRL-HNNXBMFYSA-N 426.543 0.292 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1705495971 YABSYASDUMQQNK-SJORKVTESA-N 426.587 0.799 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1705534984 XKEDZXGTBIFCBI-JKSUJKDBSA-N 439.538 0.414 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)CCOC)CC1 1705647725 IXGCRWOZNVBLIY-LJQANCHMSA-N 432.569 0.716 30 10 ICEE CCc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709093499 NIQUAZBRBZDUFR-IAFNSTAXSA-N 428.497 0.407 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722361086 FKGNNTOTIKRPOU-IAGOWNOFSA-N 446.529 0.996 30 10 ICEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740593567 JRJRFGLVPYRCEY-UHFFFAOYSA-N 435.532 0.948 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1740637095 PZISDCFCQHAAHQ-UHFFFAOYSA-N 431.547 0.187 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748802192 NBRHFGNDJBLAAL-AWEZNQCLSA-N 449.562 0.349 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748824735 SGHDFXRXEGAUHA-OGNFBWPZSA-N 440.566 0.790 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1749212913 BAQUPVNBFCLAKE-INIZCTEOSA-N 443.570 0.867 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 1749353865 CDHVBTYRLMWAFM-KGLIPLIRSA-N 428.559 0.442 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1750385283 HZEXOXHWVHMHOT-OAHLLOKOSA-N 432.506 0.830 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1760249810 UAQGEOSPAKAPPQ-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCOCC2)CC1 1760263304 VZFDOZWIIYDTRF-UHFFFAOYSA-N 443.577 0.671 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C1=O 1854241937 SHXJFLXODUKRSL-ZWKOTPCHSA-N 433.530 0.697 30 10 ICEE CC(C)(C#CC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2213497347 HZVODYCENAJBJZ-IJEWVQPXSA-N 441.525 0.750 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCONC(=O)OC(C)(C)C)n1 2247816338 MHHUUBNZQOTCKV-UHFFFAOYSA-N 425.295 0.691 30 10 ICEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)o1 2267539154 YMHHGNZCMAGDCR-UHFFFAOYSA-N 446.273 0.858 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)o1 514648405 RHGDYDRUOXLHDT-UHFFFAOYSA-N 442.541 0.269 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 520185934 XUUOGJRRRNCIRS-BEFAXECRSA-N 431.514 0.664 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 537306448 IEQDBOLLPYKQTH-CYBMUJFWSA-N 433.494 0.294 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1 539598882 XEBSRXDRZYDGHF-UHFFFAOYSA-N 442.541 0.640 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2C[C@H]2CCCO2)CC1 603801172 ZESZTUBPEGVLFT-QGZVFWFLSA-N 442.541 0.349 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C#N)c1=O 604002940 LSQMUDAUPFWTHL-UHFFFAOYSA-N 430.493 0.630 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 755128144 OZULLBHZSRELOG-GJZGRUSLSA-N 427.523 0.151 30 10 ICEE COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 768066918 AFBNNETWGDYEAX-QGZVFWFLSA-N 434.518 0.634 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C[C@@H]3CCCO3)c2=O)cn1 772278669 MWKGKXDZYZUJNI-ZBFHGGJFSA-N 443.529 0.040 30 10 ICEE COCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 778612064 SVXGQNPPLXOMGD-GOSISDBHSA-N 425.489 0.749 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1 783059111 OCOICXGSBZNBNM-UQABWZRDSA-N 434.518 0.952 30 10 ICEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O 795465153 JFHJINKZSMITJN-JSGCOSHPSA-N 431.467 0.114 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 795845987 YFJGSWYCWFGQOY-UHFFFAOYSA-N 445.900 0.712 30 10 ICEE C[C@H](C(=O)OCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)n1cnc(C#N)n1 798745115 XPGDKEFFYDLHIQ-IUODEOHRSA-N 433.421 0.737 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)c1 1136282107 YOMWYSHTNUFZBU-PCRZZNJMSA-N 444.517 0.868 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)CC1 1175523636 UCDKQXGTFWDSSA-HZPDHXFCSA-N 430.571 0.928 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 1230326125 AQPIKVHNUPQSGS-SFHVURJKSA-N 436.534 0.458 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389899 SIVQZDXHQMWROT-MRXNPFEDSA-N 445.549 0.524 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286774612 YNQUXHJSXKFTBQ-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1286819332 HAOWWXBRDNIBGJ-HNNXBMFYSA-N 438.554 0.183 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1288305333 NVWOOMCZDZGEFK-QZTJIDSGSA-N 444.533 0.700 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1300676910 WNQFYMUWLPDDGX-ULQDDVLXSA-N 426.539 0.523 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1 1300766428 BRMZVGWIEROTCL-ZIAGYGMSSA-N 438.449 0.646 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301248266 CTGVWEPPQJDFLG-UHFFFAOYSA-N 425.497 0.858 30 10 ICEE CC(C)Cc1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302981493 DSDPOBCGCKWCHF-CILBIJLJSA-N 430.509 0.999 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CCN1C1CC1 1329604558 YJJCFADVTGBXKK-KBAYOESNSA-N 434.566 0.926 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCC(O)CC1)c1cc[nH]n1 1444749138 PTAWVGLNKCHVKB-UHFFFAOYSA-N 443.504 0.967 30 10 ICEE COC(=O)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C 1466481203 XJAYMFNCYLEJTR-MAUKXSAKSA-N 441.488 0.859 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CC)CC1 1507737187 ZQKCTWUNVUREHT-IFXJQAMLSA-N 440.570 0.015 30 10 ICEE CCNC(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1515986928 FOZZXJYGPOMBQJ-GOSISDBHSA-N 437.504 0.927 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1517029417 JKJBONIJSIQCBZ-DCOQFNDQSA-N 429.481 0.266 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)CC1 1539470214 ZHHTUXKGVWYWDC-XMSQKQJNSA-N 447.536 0.311 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C)C1 1540869021 ZLDPHBDYYJFEOD-CQSZACIVSA-N 433.538 0.766 30 10 ICEE C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OC 1556375697 PQTGELRPSCPCIN-OPEQHFAOSA-N 429.473 0.650 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 1588199151 HSCMIQLBCRHBEK-UHFFFAOYSA-N 434.562 0.716 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1594963897 ZIPSHJMSGZZHIV-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595405618 UIYJKBJYFCRYQQ-HNNXBMFYSA-N 431.522 0.187 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1=O 1616492625 SNUJHHYNYFLHHE-MSOLQXFVSA-N 426.473 0.465 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNS(=O)(=O)c2cccs2)c1 1632181146 CELPKPRKPXANSR-UHFFFAOYSA-N 431.492 0.893 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)CC2=O)cc1Cl 1638735996 DKNHLFLMBNXJTQ-ZDUSSCGKSA-N 441.879 0.991 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 1671967384 YEOMDBAKJCNZPS-FQEVSTJZSA-N 433.578 0.692 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 1680628407 WRQUCIZRAYMVSO-UHFFFAOYSA-N 446.533 0.438 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1690714719 SKHZEOQHFWOQJK-UHFFFAOYSA-N 435.554 0.793 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1690976037 QXPDTOFRLKKNPX-SFHVURJKSA-N 436.520 0.954 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565164 SWQNVUQPCLMCOB-GOSISDBHSA-N 445.545 0.898 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705934286 HWLPBQUNNLXFJI-ZRGWGRIASA-N 439.538 0.214 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC2(C)C)CC1 1722437624 OKFSOAVAYZHRLK-IRXDYDNUSA-N 436.582 0.412 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1722727756 LAJLLJKEJXBGKD-ZIAGYGMSSA-N 434.609 0.723 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740957771 AIBVYDOJTFNBIT-NSHDSACASA-N 438.414 0.767 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1749683248 NBKCUZFONUDYQJ-VQIMIIECSA-N 448.568 0.794 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1760186158 AZWXOHOTHQSPQJ-BBRMVZONSA-N 428.474 0.369 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1760206551 DGCLPXVSQONRKK-RUZDIDTESA-N 448.571 0.867 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1760351497 HWLYNDPPJRHYQF-HUUCEWRRSA-N 428.559 0.538 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760559713 RYHYAOLWSWAXEQ-UHFFFAOYSA-N 447.565 0.954 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCc2ccccc21 1761500183 GVTLADYJPSVHIF-YYFZDKIDSA-N 446.533 0.451 30 10 ICEE CC1(C)COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1761566865 DSJHIJXNRLBKIG-CVEARBPZSA-N 438.554 0.020 30 10 ICEE CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769320422 XJLWRMWZVURQPW-UAGQMJEPSA-N 445.549 0.768 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1771367328 RLXKXCMFFGLSCS-MRXNPFEDSA-N 444.521 0.185 30 10 ICEE O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCC#CCN2CCc3ccccc3C2)N1 1851131947 MONZGCDWTIKNSP-OALUTQOASA-N 426.542 0.344 30 10 ICEE C=CCNC(=O)[C@@H](CCSC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861500784 LTYAKGWGMAOTGQ-CQSZACIVSA-N 439.534 0.982 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)CC1 480303967 GGNVYTYHEUXIHJ-UHFFFAOYSA-N 427.552 0.077 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 514406928 NNFCUASXQIDIQO-SJORKVTESA-N 443.570 0.819 30 10 ICEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 538183453 HMKPHNBJFSUPSQ-IRXDYDNUSA-N 449.533 0.210 30 10 ICEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730136914 BOOGXOSEDKUEGN-MRXNPFEDSA-N 448.549 0.390 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732678400 ARUDXIBDYKBJOD-SFHVURJKSA-N 447.561 0.646 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 748294814 BKXVCSNBFZVZGB-UHFFFAOYSA-N 436.515 0.745 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780829676 UQCSVTOURNQQGF-VHEBQXMUSA-N 445.501 0.299 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnn(C)n2)C1=O 782885522 UTWRENLVLMLWDS-AWEZNQCLSA-N 434.501 0.549 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cn1 794578813 DHVYTOBXRXXWOS-JKSUJKDBSA-N 428.514 0.321 30 10 ICEE C=CCOC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OC 1155779598 QGLQYBGRZWSEAH-CQSZACIVSA-N 446.547 0.615 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286389032 DPSIYDSIOINXNN-JKSUJKDBSA-N 444.517 0.308 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2cc(CO)nn2)CC1 1286489814 FLFGUJITAQSTDS-UHFFFAOYSA-N 437.508 0.413 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)C1 1286810501 SAALGQPNZIROIK-HDMKZQKVSA-N 428.580 0.830 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1300889083 AZILKLMLAJXTPE-BXWFABGCSA-N 432.525 0.333 30 10 ICEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301595542 VVTVWQGSMHLVCD-OAHLLOKOSA-N 449.581 0.263 30 10 ICEE C#CCOCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1306013578 FHCNZTHIXGUORY-UHFFFAOYSA-N 425.482 0.400 30 10 ICEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1314452735 WIXPUTNRWSPQJR-SFHVURJKSA-N 437.504 0.780 30 10 ICEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358921034 NCYPDGQCOYWUOP-SFHVURJKSA-N 434.541 0.990 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1449430004 UXBPOUULEBWVMA-HRCADAONSA-N 439.534 0.401 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 1475011844 SQPSAKDKKMVMRT-UHFFFAOYSA-N 427.910 0.572 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1508037272 AJTMAWIPGFKVDG-DLBZAZTESA-N 427.571 0.540 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1536784840 BHDRXMLTMGMNFC-CVGRLMLNSA-N 430.486 0.988 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)c1 1539042513 HFZBBNJJIDTGKE-MSOLQXFVSA-N 438.488 0.701 30 10 ICEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539599850 GMLRVJQKZQAYQU-CQSZACIVSA-N 446.309 0.320 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1540897369 HQODISRFVZJNES-LBPRGKRZSA-N 439.460 0.785 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540906871 FGQXJILBMYXCFB-OAHLLOKOSA-N 436.538 0.304 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1555753128 JXKWBKFQKFDRBQ-VJANTYMQSA-N 432.525 0.989 30 10 ICEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1587770141 UKLMNEVWFQWSAW-UHFFFAOYSA-N 430.553 0.788 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1588387064 RKZOYYJFGVKQQQ-CVEARBPZSA-N 445.536 0.996 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1588751877 ORLTWMHRBRSFDO-NFBKMPQASA-N 446.596 0.795 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1594733659 WYQKERZZRAEPJA-INIZCTEOSA-N 440.570 0.669 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595784574 JBRRRBPINDCWAR-IBGZPJMESA-N 432.506 0.972 30 10 ICEE O=[N+]([O-])c1ccc(O)c(/C=N/NC2=N[C@H](Nc3ccccc3)N[C@H](N3CCOCC3)N2)c1 1616176072 BPKKQCXCPWLQPR-XNWDXEOPSA-N 440.464 0.784 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 1617212897 DWPQEIFJAWQCPM-QRQLOZEOSA-N 433.578 0.900 30 10 ICEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1653539822 ILIATMXGEGXDFF-CABCVRRESA-N 433.513 0.973 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)CC1 1690112212 RKASXQWTFKZVEI-QGZVFWFLSA-N 445.593 0.758 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)CC1 1690112417 XKYQEEAZBYYJTC-GJZGRUSLSA-N 444.652 0.492 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1691003193 DODUWERSFAZGMP-CABCVRRESA-N 426.543 0.512 30 10 ICEE C#CCCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1705539016 HHXJIJYAVKUECB-HRAATJIYSA-N 442.524 0.876 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705890932 QFAQKJYSZWMICD-QFBILLFUSA-N 440.570 0.098 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(C)c2)CC1 1705907278 GSCILGQMGCGNHL-UHFFFAOYSA-N 426.525 0.820 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1705930352 LIPTWBDSDLOHIO-UONOGXRCSA-N 435.572 0.104 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@H]1CCCCO1 1706889502 GCOHIIDCGJPRJH-XHSDSOJGSA-N 426.543 0.966 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722333218 UBKSGPHLCRRVHW-ULQDDVLXSA-N 425.555 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H](O)C2)CC1 1722450197 YSHNPFSZZDWNPE-MJGOQNOKSA-N 442.564 0.917 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1Cc1ccc(C#N)o1 1723953443 DVCDNDWTNAXBHY-OLZOCXBDSA-N 433.494 0.212 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC1 1740706496 ZGAAYDABDPXUFZ-SJLPKXTDSA-N 449.577 0.573 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1740717581 WHPMYKPALJQGTF-AWEZNQCLSA-N 431.609 0.531 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740951029 APRVZBDANXUGRX-SOUVJXGZSA-N 426.543 0.196 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CCO1 1750013494 HACBXAYCCZHQSW-SFHVURJKSA-N 435.492 0.827 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnccn2)CC1 1760555435 FUXHGRODOVXMBP-INIZCTEOSA-N 433.538 0.499 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1760566154 NBFRJGLEOCMTPO-HNNXBMFYSA-N 443.595 0.394 30 10 ICEE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)ON1C(=O)c2ccccc2C1=O 1772791052 XVAUQAPJJSGXIJ-UHFFFAOYSA-N 432.410 0.881 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1910910874 ADRYHQDWNIEGPH-LJISPDSOSA-N 440.497 0.299 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247931269 MHRNNBNIUBMAFM-KGLIPLIRSA-N 442.343 0.770 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NCCNS(C)(=O)=O)cc2Cl)OC1(C)C 2282842440 YMPFUDDAZAMGTH-UHFFFAOYSA-N 444.793 0.528 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@](C)(CO)C(=O)O)cc2Cl)OC1(C)C 2284402909 MNXOFZKESPPFKC-AWEZNQCLSA-N 425.721 0.815 30 10 ICEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C(=O)C1=O 64835475 FGIPIWZPCNKONV-UHFFFAOYSA-N 437.518 0.714 30 10 ICEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 111048209 YKXKCDFISODZFD-QGZVFWFLSA-N 441.575 0.778 30 10 ICEE C[C@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 425912874 DPBPEZPWYIVPJK-UWJYYQICSA-N 434.562 0.874 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)NCC)C2)cc1 473321946 CWZCRNJRGLBMEM-HNNXBMFYSA-N 437.522 0.352 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(=O)N(C)C)CC1 519704259 CRBRVAUNKCYYAP-HNNXBMFYSA-N 427.575 0.065 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCO2)CC1 559209707 MIKUGWZFDAQHKX-SFHVURJKSA-N 428.541 0.672 30 10 ICEE Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c(=O)n2C 749648763 FTCIVLYSXRNDAG-AWEZNQCLSA-N 431.497 0.269 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765146351 YAWIMLBZURRDFF-UHFFFAOYSA-N 428.495 0.618 30 10 ICEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 804357828 KYWMOMAFIPREMW-UHFFFAOYSA-N 435.531 0.880 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 1116084049 HZDMCMIBXUORRL-JQIJEIRASA-N 440.503 0.025 30 10 ICEE C#C[C@@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1141496409 PZGJHPAIBITXMF-LBPRGKRZSA-N 428.283 0.859 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286387223 OWIQOEXMOPRFLO-HBIPHATFSA-N 433.559 0.878 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1286407811 RTCJNRLWFNDKSO-GOSISDBHSA-N 425.514 0.917 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286504894 SBGWRPVZLLXCEO-KBPBESRZSA-N 431.522 0.068 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286788200 RVTKGYXBTLULOH-FUHWJXTLSA-N 445.568 0.611 30 10 ICEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301623494 UYVFLGDLOAWXOH-HNNXBMFYSA-N 448.553 0.518 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Br)ccc2OC)CC1 1312245856 STTRUTUXACXTCL-UHFFFAOYSA-N 445.339 0.753 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCO[C@H]1CCOC1 1360672461 RPXBRFBDQQSJBJ-HOCLYGCPSA-N 426.543 0.824 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 1464293275 WEXNKDQEYSFDFC-HGOSOOBESA-N 437.518 0.631 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1494657271 BGYVUZIIVGMHDL-MGPUTAFESA-N 449.533 0.749 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CCO1 1503770219 DRTJEYXRDPMMBA-RTBURBONSA-N 440.504 0.964 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnnn2C)c1 1507547888 NVYWXZWIEMMFDD-UHFFFAOYSA-N 435.492 0.649 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1507587933 BPMQSBFVUCQQFU-INIZCTEOSA-N 438.554 0.083 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1507689452 KJRZMSFLBOECKB-GOSISDBHSA-N 449.581 0.974 30 10 ICEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1539599471 FWFNFQWZBVRECM-LBPRGKRZSA-N 438.348 0.602 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1540037289 HGUIVNMASAQTSK-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)C1=O 1542558588 ZGWMNFZLIHEQCR-UHFFFAOYSA-N 426.307 0.952 30 10 ICEE CCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546461785 HAIMBVPINBMSRF-KCQYIYACSA-N 429.525 0.668 30 10 ICEE CCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1547366748 ZWFZKXGDLZMTPZ-DCOQFNDQSA-N 434.522 0.695 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1554394218 FEXOJAFRNZMICN-CQSZACIVSA-N 434.522 0.592 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC3CCCCC3)CC2)CC1 1563855794 PJUMQPRYKHBKAW-UHFFFAOYSA-N 425.599 0.826 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588025361 XSERDKTVZBLYEU-INIZCTEOSA-N 433.538 0.133 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC=C 1588109598 JPJGNRHSCFXRGS-UHFFFAOYSA-N 436.501 0.594 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588865637 ZGEBMQHGYRNHGV-HXUWFJFHSA-N 443.596 0.513 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595543896 BEMGKUUPNLUGHN-KRWDZBQOSA-N 439.520 0.832 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1595583738 GDXDYDYXSXCHRV-UHFFFAOYSA-N 425.463 0.245 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1596455072 RPBUEERMFJEPSF-QGZVFWFLSA-N 435.502 0.902 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1631358322 GXCSZUBFNOHNCM-CYBMUJFWSA-N 432.424 0.754 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)C2)c(=O)nc1O 1637513783 OXXYPWARLRZEAA-AWEZNQCLSA-N 425.420 0.895 30 10 ICEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)C2)nc1 1637928017 FULMSFHJZZDDDG-WMLDXEAASA-N 425.420 0.746 30 10 ICEE N#Cc1ccc(N2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cn1 1644411627 HXCRGOVSXMFWOF-UHFFFAOYSA-N 425.493 0.751 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 1650845894 ABPROHDNRZFSQF-KRWDZBQOSA-N 436.509 0.290 30 10 ICEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCOCC1 1665657784 BTXDWWKIZCNPAC-SFHVURJKSA-N 435.550 0.261 30 10 ICEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1669216610 CEJJJNYCTODKCP-GFCCVEGCSA-N 426.442 0.913 30 10 ICEE O=C(NCC#CCO)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1683602621 OKCXGTFKKDAGMA-CQSZACIVSA-N 430.324 0.897 30 10 ICEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1684851090 CEXNIRINWNIXCZ-YJBOKZPZSA-N 426.477 0.409 30 10 ICEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1690680584 WGZLNVBOKDZODQ-MSOLQXFVSA-N 440.504 0.794 30 10 ICEE CN1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1696881327 DALFQEREGUVVEP-QFPXGYFVSA-N 429.481 0.325 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705509310 DTBGXUGNBAPCCQ-CABCVRRESA-N 431.584 0.705 30 10 ICEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1705911649 MVLFVJVUHIJRKQ-UHFFFAOYSA-N 437.508 0.789 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)C1 1706933094 XQQVEXPKGHHXSE-LJQANCHMSA-N 438.554 0.705 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722382339 YCJCFSKDXIMLOU-SJORKVTESA-N 433.520 0.803 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722387956 SSRRSXMQESDBQR-GOSISDBHSA-N 426.521 0.472 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1729396152 ABFQGAOHLWCOAH-KRWDZBQOSA-N 443.533 0.773 30 10 ICEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740791459 HSGFDBAMQXNLQD-UHFFFAOYSA-N 439.520 0.860 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1748928935 BEXFHTFKPWDLBC-SFHVURJKSA-N 438.598 0.802 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1748961260 ZHAMDCREWZYGNB-QGZVFWFLSA-N 428.468 0.884 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)CC1 1748989887 RAYFGCVZWFNEJQ-LJQANCHMSA-N 448.593 0.194 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1749489082 RDAWZICONIUYKY-JKSUJKDBSA-N 441.554 0.776 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1750215015 LTZWOFFIDBMDIY-FQEVSTJZSA-N 443.533 0.472 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1760198601 FMKUDOVYDMELKQ-UHFFFAOYSA-N 431.518 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760555586 IKSARKXEWBIQDK-HOTGVXAUSA-N 438.554 0.329 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)CN(C)C1=O 1766408766 KTLRWMTWEZOKDE-YCRPNKLZSA-N 439.524 0.670 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1766944559 JRMMGYPWALHAKI-SJORKVTESA-N 443.533 0.423 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccccn2)C1 1770348239 IDGZJFBBFKKQAF-APWZRJJASA-N 449.512 0.691 30 10 ICEE Cn1cc(C#CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cn1 1853274111 DQEHWCRQAZIWEF-NRFANRHFSA-N 439.541 0.711 30 10 ICEE C#CCNC(=O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 2188607746 ATUDVLDUWCPWDI-UHFFFAOYSA-N 425.102 0.822 30 10 ICEE C=CC[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 2210495354 MONBORCJOBSNRB-KBUPBQIOSA-N 429.514 0.913 30 10 ICEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 2314457690 VGFMLNHWBHAYBO-UHFFFAOYSA-N 434.499 0.688 30 10 ICEE N#Cc1ccc2ncc(CNCCS(=O)(=O)N3CCN(c4ccccn4)CC3)n2c1 238018762 JDJZCEXHMGFTAK-UHFFFAOYSA-N 425.518 0.843 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254739274 ZRIHAYQPBLIOFX-RISCZKNCSA-N 426.472 0.877 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)ccc1C(F)(F)F 554532542 LXICRJCPAQGCGF-SNVBAGLBSA-N 426.394 0.839 30 10 ICEE CN(C)C[C@@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 558898011 GATOGFTVVVIWRS-HXUWFJFHSA-N 447.517 0.535 30 10 ICEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)cn1 730144273 IXLSJYXNZXFMAU-OAHLLOKOSA-N 436.538 0.226 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)C1 748408274 KFDSTKZCEZCJDX-PGRDOPGGSA-N 427.505 0.798 30 10 ICEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)[C@H]1CCS(=O)(=O)C1 757906965 YSDIKYXOBUVJDI-ZDUSSCGKSA-N 430.486 0.657 30 10 ICEE C#CCn1ccc(CN(CCOC)c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)n1 788559382 SBJFLRMQCXRVNX-UHFFFAOYSA-N 431.518 0.435 30 10 ICEE COc1ncc(Br)cc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1253177611 RUPUZIUJQZXEGB-XHDPSFHLSA-N 429.296 0.932 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286389664 OGRSXLRGNGPGDB-IHSNIMORSA-N 435.550 0.407 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)F)CC1 1286472559 JLUTXFSPWLURAX-LJQANCHMSA-N 426.468 0.067 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O 1286758089 COGFMNDOWKACHH-HNAYVOBHSA-N 438.554 0.268 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1300509626 QTFPNKAEOPXMLL-QGZVFWFLSA-N 442.545 0.620 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)NC(C)C)CC1 1300703636 NJKZXIAUPBFUTR-UHFFFAOYSA-N 431.566 0.347 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1301403915 MQMKLEVPNYALLJ-OAHLLOKOSA-N 426.543 0.268 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301515672 XMWZDQWNHIOPOV-GOSISDBHSA-N 442.520 0.727 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301595054 MEJHFXVXXSOQAE-RWMBFGLXSA-N 431.540 0.922 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1359009843 ZVMBPGPAQJQTBT-OAHLLOKOSA-N 428.580 0.997 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)C2)C1 1443862374 AVCOLDHRZIRDHV-UARSRXHTSA-N 426.539 0.923 30 10 ICEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 1463090447 MIXVAOPAJIFIOW-FQEVSTJZSA-N 435.502 1.000 30 10 ICEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)n1 1492519057 AKMSNOPZVWEUEP-HNNXBMFYSA-N 432.506 0.317 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCOC1 1503434916 ZYGRPYLOYHUVAK-INIZCTEOSA-N 434.522 0.845 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1504530247 ADFUCOZKYMFVSL-JOCHJYFZSA-N 437.504 0.590 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1507601400 PTFRRTMCGDZART-NSHDSACASA-N 430.332 0.617 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)CC1 1507719905 BHMAZPBBECEPNK-ZDUSSCGKSA-N 442.496 0.283 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1507752066 UVNRRMLPNJKQAB-XHSDSOJGSA-N 443.595 0.591 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)CCOC1 1509819448 UZAHHYHCQOQQFB-CNNODRBYSA-N 448.568 0.894 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1539013908 KSIUCLGKMCWPDK-RHSMWYFYSA-N 448.549 0.124 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1556543453 AXIFAZWXFAWLPH-MJGOQNOKSA-N 430.553 0.420 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(I)ccc1N1CCOCC1 1569564061 NHZUCSVDQVKBBF-GFCCVEGCSA-N 431.230 0.848 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1588024756 KXHCWKGUAABTNV-HUUCEWRRSA-N 425.580 0.796 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1588638055 NVAWXFJWWNQHND-FUHWJXTLSA-N 427.509 0.716 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1588646414 JRDURBFMVRFJIA-SJORKVTESA-N 441.554 0.124 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCSCC2)CC1 1588923772 LULGJGLMPFLMCR-KRWDZBQOSA-N 445.593 0.244 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1588969222 YBVRVKOLELTGRJ-HNNXBMFYSA-N 440.595 0.351 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595785025 PSXBVAFQKSEGHN-INIZCTEOSA-N 439.563 0.954 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1625175016 XDYWFABBTPWSIH-OAHLLOKOSA-N 434.493 0.113 30 10 ICEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 1660664387 PRCALYLXWTZBKL-IYBDPMFKSA-N 427.548 0.328 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1689826542 PVHHUACDRVZWQT-KGLIPLIRSA-N 431.584 0.704 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689990762 RLOJXFNZQKQNQW-JKSUJKDBSA-N 434.522 0.733 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC)C1CC1 1690544741 ACPWJBKHJGFTPE-KUNJGFBQSA-N 431.584 0.534 30 10 ICEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690974474 VDQVCEJZYQNOFQ-UHFFFAOYSA-N 434.508 0.798 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)NC 1694125943 FQICNNWIRHTJMZ-LSDHHAIUSA-N 447.569 0.718 30 10 ICEE COCC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697956277 BFRBTPWNDXLBHY-PVHMMBIOSA-N 443.508 0.618 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1705932796 KNZGGBMUTLTPIX-AWEZNQCLSA-N 434.497 0.899 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722281262 IFLFTHKDSNHJDE-IRXDYDNUSA-N 449.519 0.874 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCOC2)CC1 1722449738 PDHQRIOBZGEPDH-QGZVFWFLSA-N 428.537 0.793 30 10 ICEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722686429 XXKDLEGOCLNRNN-SJORKVTESA-N 425.555 0.989 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740629279 IAKNCYYUQSVKQZ-ULQDDVLXSA-N 426.539 0.665 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1740655922 GIMSSTMQLGDERL-ROUUACIJSA-N 447.561 0.138 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1748809346 LHEDHKKQXVOLLI-SFHVURJKSA-N 436.501 0.735 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)CC1 1760270342 VRASFXICZXOIEW-BPQIPLTHSA-N 449.577 0.571 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760433784 VWPHHSGPILRDNX-ZIAGYGMSSA-N 439.542 0.327 30 10 ICEE CCCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1=O 1766132260 VMLJVZCWWFPDQH-CQSZACIVSA-N 449.537 0.850 30 10 ICEE CCOCc1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766312728 BMGFHNCJLYEVQN-CVTQAYBASA-N 443.508 0.542 30 10 ICEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1850242149 QRFXIUMCMMVTSS-GOSISDBHSA-N 425.938 0.945 30 10 ICEE C=CCN1CC[C@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C(=O)C2)C1 1853697564 DPWMRMAZXPYWIY-KRWDZBQOSA-N 435.546 0.790 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)n1 2255633650 FJYHVTZMFSVMHT-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2337021339 BWNVPKWJJPVPPL-RYRKJORJSA-N 449.357 0.864 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 481789816 QFONLZXOZIYIOM-PKOBYXMFSA-N 433.578 0.854 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 554035781 HZYSAHTXEHFPCV-SJLPKXTDSA-N 448.549 0.624 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCO2)C1 619862591 BVNMUBXNUUDRTJ-RLFYNMQTSA-N 442.517 0.622 30 10 ICEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 743909219 UOGUVQKBGDPFLE-INIZCTEOSA-N 431.518 0.073 30 10 ICEE C#CCN(C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774187546 QQUQCBKRDSLZKV-IBGZPJMESA-N 432.546 0.557 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 816693101 BVJOEIDEHKYXBA-FZMZJTMJSA-N 446.323 0.956 30 10 ICEE COc1cc(C=NNc2nnc(SCC(=O)Nc3nc[nH]n3)n2N)cc(OC)c1OC 1084555230 CWMNQSABACKGLS-UHFFFAOYSA-N 448.469 0.313 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)c1 1125125691 LFFHBDZXTPVTIF-STZPCZCHSA-N 428.536 0.910 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)CC1 1286475168 YFZCVFBOCATUKK-UHFFFAOYSA-N 439.911 0.902 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286778580 HEEYKDOGBUTUDW-KRWDZBQOSA-N 445.568 0.506 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286786564 HFTKIICXTZFDCH-INIZCTEOSA-N 443.556 0.018 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286820138 FQBKBPDGYCKBAX-IAGOWNOFSA-N 436.538 0.485 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1286966097 PXBJBALQPUTZSU-CQSZACIVSA-N 429.481 0.851 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1300395660 APYFIINXKJQALZ-INIZCTEOSA-N 427.457 0.720 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301253170 WCZRPSFDETUVSD-CABCVRRESA-N 431.497 0.295 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 1318303034 VQXADNUQLHPPFW-LLVKDONJSA-N 449.348 0.620 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCN3CCCS3(=O)=O)C2=O)cc1 1330432828 WEKOODWCGSXDSH-INIZCTEOSA-N 433.490 0.305 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1358891166 ZXAVCTJDRJBFEX-INIZCTEOSA-N 446.581 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)CC1 1359029198 RCQAKJUDRWTPHQ-CQSZACIVSA-N 435.554 0.551 30 10 ICEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C(=O)OC(C)(C)C 1465267295 INTKZAOFORKBLR-UHFFFAOYSA-N 443.566 0.946 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1507669735 QOEZXRRIMVRVEN-RTBURBONSA-N 431.562 0.902 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 1507902981 QQEQOAHDKBLBNF-IAGOWNOFSA-N 441.554 0.429 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1511975221 GHZJWNOXRFUFAT-ZMPRRUGASA-N 440.504 0.936 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1516854865 GCPGOGPDGLQPAM-PBHICJAKSA-N 448.505 0.459 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539223034 YRFOKAXFJNSXGM-IAGOWNOFSA-N 437.566 0.667 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1539452170 MVLFCGCDMQGLLD-QFIPXVFZSA-N 430.503 0.969 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(C)(=O)=O)CC1 1539454174 ZFBCPRIOLACDHI-UHFFFAOYSA-N 427.534 0.316 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1540894002 OOGUBOJARKKADI-GOSISDBHSA-N 447.561 0.985 30 10 ICEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1556191859 TXCPWPHBDQDLQJ-YOEHRIQHSA-N 428.514 0.977 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1565345792 YLKFCEOKKIOXAV-KRWDZBQOSA-N 448.545 0.571 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595556074 MVEMLKNAJAJIKO-UHFFFAOYSA-N 447.565 0.474 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602486 LFYCPRZQKAJYAD-NHCUHLMSSA-N 432.525 0.480 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1597794990 CJZQEYICUVISLZ-FQEVSTJZSA-N 437.518 0.961 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCC(S(C)(=O)=O)CC1 1634896828 ONRJWKKADHYNGW-JEYLPNPQSA-N 427.548 0.945 30 10 ICEE Cc1cc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C(N)=O 1644094271 HAGIHIDXNNSUBZ-UHFFFAOYSA-N 442.497 0.878 30 10 ICEE Cc1[nH]nc(I)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790407 HULSUGHXWLKKQY-UHFFFAOYSA-N 426.174 0.154 30 10 ICEE COCCOCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1654084351 ZPJGJYSLKXHBJB-LJQANCHMSA-N 435.594 0.738 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1662402606 ODRHXEHGUQYPNM-DLBZAZTESA-N 446.547 0.543 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1685243961 GEIVBYGFQQRVCR-LJQANCHMSA-N 432.546 0.720 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1690019592 MQJFJIXQUJTAIX-INIZCTEOSA-N 448.574 0.691 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1690265112 KIZBCLQGNJVJTP-INIZCTEOSA-N 442.586 0.882 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C(C)=O)CC1 1705548076 YCTHZPRSXIFFLE-UHFFFAOYSA-N 434.508 0.154 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1705570953 SYYMJLQSZGKHHD-QGZVFWFLSA-N 445.520 0.937 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908275 MLNYOXPHLQDQHO-NRFANRHFSA-N 434.541 0.583 30 10 ICEE Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707900295 NZFSUDGYAFXBEQ-ZDBRSUKYSA-N 449.537 0.117 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(=O)N2CCOCC2)c1 1722307641 RZMHDEKUSFQPHR-UHFFFAOYSA-N 440.504 0.730 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCOCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722368022 OSTIXRIIJBGNRX-INIZCTEOSA-N 444.579 0.234 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCOCC2)CC1 1722446414 VSPVPOYYDBFWHL-QGZVFWFLSA-N 425.537 0.960 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722697227 XTMKFTBZWKOEMA-INIZCTEOSA-N 445.549 0.647 30 10 ICEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1723401472 WKMVKSIOZSQISH-QGZVFWFLSA-N 437.504 0.922 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ncn(C)n2)c1 1740562696 MTIIQLKJRXIIAO-UHFFFAOYSA-N 430.476 0.912 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740875635 GZZLUMVFSUGVBQ-LSDHHAIUSA-N 449.599 0.447 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1748211518 NLKWCKRBKXTTSS-RCCFBDPRSA-N 426.477 0.308 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1748291809 BGQDHERVOYVFJC-KRWDZBQOSA-N 443.533 0.567 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748771196 IOLXFZRJTOLISB-XMSQKQJNSA-N 432.569 0.942 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185891 GLYNKYIGBFZONV-MRXNPFEDSA-N 437.566 0.385 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760526607 QOVSMSXETZOZJD-QGZVFWFLSA-N 444.517 0.654 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1760557111 AJGCRUSEVRKLMU-MRXNPFEDSA-N 435.554 0.407 30 10 ICEE CCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766789400 IAMWGLWXZNBRPX-UHHPSXQGSA-N 448.549 0.943 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1=O 1856809357 VTFOCQTZDJUUKY-TZMCWYRMSA-N 428.438 0.717 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cs1 1889555586 DBOSVDCKFJFHQJ-UHFFFAOYSA-N 443.533 0.648 30 10 ICEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)nc2)OC1(C)C 2255843813 MHEMTTRVSLXAGP-NWDGAFQWSA-N 426.204 0.763 30 10 ICEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C(N)=O)C1 2267142209 RACCHHMISDDHIA-UHFFFAOYSA-N 449.317 0.161 30 10 ICEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)n1 481259784 BZRSZRIHZJWZEX-UHFFFAOYSA-N 440.855 0.760 30 10 ICEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 508713127 HLFZZGLGHMZIHA-UHFFFAOYSA-N 429.481 0.924 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1 509418189 RYVMQLXQPRPJSD-UHFFFAOYSA-N 435.483 0.982 30 10 ICEE CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545478099 XVQCRZJKVUOXJU-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554094958 ZQBJYSVGDPDGMV-MSOLQXFVSA-N 448.549 0.229 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587655104 ZULAJRXRLLHLAS-UHFFFAOYSA-N 442.520 0.134 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 603801206 ZUQFUSMUKAKVRH-MRXNPFEDSA-N 440.481 0.779 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 669816742 YZYHXOIZJMIXHH-OAGGEKHMSA-N 427.527 0.181 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730136910 BOOGXOSEDKUEGN-INIZCTEOSA-N 448.549 0.390 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)C1 748408277 KFDSTKZCEZCJDX-XMSQKQJNSA-N 427.505 0.798 30 10 ICEE C[C@H](CC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 800670006 JAPSWPUKQNJXQU-VNHYZAJKSA-N 442.563 0.338 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 802286883 BCFHJXCZYHBKOT-UHFFFAOYSA-N 425.532 0.238 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1286542515 ATMUYRWUVYBXSF-UHFFFAOYSA-N 441.330 0.604 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1286686854 DEMZWQKJPIEELG-INIZCTEOSA-N 425.555 0.832 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1288320790 CYXYQLZJMMSSMZ-GPMSIDNRSA-N 439.538 0.482 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1297776634 BTTHLXYEGWZOJR-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300362814 AHJSMBWILZFFLF-OAHLLOKOSA-N 430.534 0.640 30 10 ICEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1 1304001271 AIASTLZAUYJFHI-LFRPXUGBSA-N 447.513 0.705 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359296379 HOYJRZHDRJIGJG-QGZVFWFLSA-N 448.487 0.592 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1 1464343792 WBKNHNDDNHZUQE-OQCHKFKFSA-N 428.536 0.910 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1507746005 ITYXBOSPWYWOSB-UKRRQHHQSA-N 428.584 0.360 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1509948621 BCAONKVAXBTXLU-QKPAOTATSA-N 426.543 0.774 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2ccnn2)CC1 1539431714 XAKORDAOCYDVNA-OAQYLSRUSA-N 428.541 0.756 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540013199 MABNTJLMYWMEJV-UHFFFAOYSA-N 431.541 0.941 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1544554729 QYQPCADDNPDLLT-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1545119091 SJFQYSHBOFHURS-CZUORRHYSA-N 436.494 0.349 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1587856569 NGLDYXMPRVAREH-RTBURBONSA-N 434.610 0.810 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588029023 CDJMVXYVARSHFB-DZGCQCFKSA-N 429.568 0.315 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 1625364219 WIVXJPNVNLLMEG-HOTGVXAUSA-N 441.550 0.399 30 10 ICEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1C#N 1635104297 LHJLVZRUWYYPFS-HNNXBMFYSA-N 438.278 0.770 30 10 ICEE C[C@@H](CC(=O)NCc1cc(=O)n2ccccc2n1)/N=C1/NS(=O)(=O)c2ccccc21 1640632476 WOJYWYQZZSIVMI-ZDUSSCGKSA-N 425.470 0.828 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1641524861 SBQPLCABLCIMQU-KRWDZBQOSA-N 442.538 0.885 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 1665749489 AELCYMYPSYMHFU-UHFFFAOYSA-N 434.952 0.724 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)CC1 1690137324 UZWQYRZURPDXGF-UHFFFAOYSA-N 428.541 0.716 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690659685 ZVJOVLFHZZBRQV-UHFFFAOYSA-N 449.453 0.741 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705565180 GWCXFFKGGRNSDP-KBPBESRZSA-N 436.563 0.871 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1nnc2n1CCCCC2 1706848786 HGYWJCPKRDVNPM-ZIAGYGMSSA-N 435.558 0.993 30 10 ICEE CS(=O)(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1712696767 BWHIIUXDOPAGHH-OAHLLOKOSA-N 429.568 0.745 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1712702294 MFFGGUJYVAGJIU-FQEVSTJZSA-N 444.517 0.490 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)C1 1724005197 WFZVZCRVPCLLCA-GOSISDBHSA-N 435.510 0.685 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)OC)c1 1740563444 ZJNGZHKLRIJBJV-GJZGRUSLSA-N 448.549 0.979 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740617089 LOXHPNLMUSPZIK-OAHLLOKOSA-N 429.568 0.064 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740946597 CMDFVQLLXSPODK-AWEZNQCLSA-N 431.522 0.187 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748143590 FXSUMYQNIDTIRS-OGLOHFSISA-N 429.525 0.965 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1748830465 WYPVOOFSSAJNCM-JOCHJYFZSA-N 428.537 0.167 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccn(C)n2)CC1 1749001230 MVIHUQHCHWZYLC-UHFFFAOYSA-N 438.536 0.456 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760097579 HHOOFWHPOVMNLO-KBPBESRZSA-N 430.534 0.680 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@]2(O)CCOC2)n1 1760252779 REJXFUFXQFNIIV-JOCHJYFZSA-N 439.520 0.918 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCNC(C)=O 1870546775 SPCJRWJXSGPXPZ-HXUWFJFHSA-N 446.548 0.832 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2315529562 VQAXGUBNZVMCGI-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 508496448 ZAEBCPCFCMUSEM-MRXNPFEDSA-N 436.542 0.305 30 10 ICEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 764262777 YPHIEFAXEPTHFY-PBHICJAKSA-N 433.534 0.901 30 10 ICEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 1142858665 WJKQYDOUWZLBBF-UHFFFAOYSA-N 428.470 0.925 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)OCC 1151573791 LGJCMFZGKMRMHI-OAHLLOKOSA-N 443.909 0.611 30 10 ICEE COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 1191545827 CXBLXCZLHULRKS-ZDUSSCGKSA-N 430.280 0.763 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)CCCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1198071747 KCDGVKDFKSSNJW-YJBOKZPZSA-N 425.532 0.679 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]12 1226109360 AZJVOQQUFARLLZ-FJIDUMEYSA-N 432.502 0.507 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286782015 HQRKJIOJAMZDKJ-HXUWFJFHSA-N 425.449 0.872 30 10 ICEE CCOC(=O)[C@](C)(O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1296093463 ZZDLJBPBXDNLOO-LJQANCHMSA-N 425.507 0.716 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1300479818 SNOZSMRBBIHILK-MRXNPFEDSA-N 432.506 0.486 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2noc(CC)n2)CC1 1300710478 CPFYYEQMDXOLKC-LPHOPBHVSA-N 429.525 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300726954 SJPSWPAUZWUCKO-HSZRJFAPSA-N 435.532 0.708 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1301507065 VMOIWYIJADZJJA-UHFFFAOYSA-N 442.520 0.475 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1303003421 HAPRHKPQVGXQTG-IAGOWNOFSA-N 446.533 0.791 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316345426 PNMRAXATPXNZSG-IRXDYDNUSA-N 449.581 0.621 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)CC1 1455115866 SYHYYTYFYVAGGN-UHFFFAOYSA-N 430.412 0.213 30 10 ICEE COC(=O)C1=NO[C@@]2(CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)C1 1460652545 KAWIXFQCNBSQNH-KNQAVFIVSA-N 443.479 0.928 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1507630240 VLLFKCJNARNOKQ-HNNXBMFYSA-N 431.518 0.717 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507636631 BOQRVRZAMDNITO-FJIDUMEYSA-N 439.582 0.579 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1507652366 IGMGTVNCFXJFOX-UHFFFAOYSA-N 429.502 0.903 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1507837050 HIIIOFRFNCCKNV-CQSZACIVSA-N 429.543 0.870 30 10 ICEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539120240 SXSRHGCBRLUQDO-ROUUACIJSA-N 437.566 0.826 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539202157 GKVQVAJUSGWWJD-SJORKVTESA-N 437.566 0.667 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219539 DGTFECVACHWDKR-QZTJIDSGSA-N 448.570 0.855 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1539266400 PWWXPIRDPVFGQC-QGZVFWFLSA-N 435.550 0.501 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540871519 NOKQYXNXJDMMTD-HNNXBMFYSA-N 428.497 0.209 30 10 ICEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)no1 1542208643 FWYRJCYLNJHVDZ-MRXNPFEDSA-N 435.510 0.696 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1=O 1585439810 VRTRUABRWFOYBE-UHFFFAOYSA-N 443.504 0.618 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CCC2)CC1 1588732854 HXUHYXQOEZZVBW-WJOKGBTCSA-N 441.561 0.982 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)NC)CC1 1588871520 GGNKNTCGWMFCOG-UHFFFAOYSA-N 436.513 0.301 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1594627981 YHZCYWHEKPBPRE-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1595551366 PKFMCABRGDLECF-HNNXBMFYSA-N 449.533 0.833 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)OC)C1 1595728379 BJISVNWRGRVBDP-BRWVUGGUSA-N 443.570 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595799309 YPORURXYWUPDLV-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1655164904 JSVXAVSIKZWBPG-UHFFFAOYSA-N 433.574 0.980 30 10 ICEE C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1662023910 LOYQCUACAIHATI-LIRRHRJNSA-N 439.490 0.926 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 1678606467 ISQADPNHVULKES-UHFFFAOYSA-N 425.530 0.967 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690648263 SRJWULGLCPBGNC-LJQANCHMSA-N 431.585 0.818 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1695434970 BNVUGJMDGZNYKY-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1705901921 ZTFAIKOKNZVKEQ-UHFFFAOYSA-N 445.524 0.467 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722705193 CAODSSCYSSONPB-MRXNPFEDSA-N 448.911 0.764 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722706647 WIXSOZXYGOZBET-QAPCUYQASA-N 440.504 0.883 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1740669134 NYLXYTUOAQQRNR-UHFFFAOYSA-N 443.533 0.543 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740876526 SZGMRYACTWDLDE-RDTXWAMCSA-N 426.543 0.279 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1740955511 WPPPESYCXRMYDN-UHFFFAOYSA-N 449.309 0.955 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740985089 BEAADMXKULVKRL-BEFAXECRSA-N 441.554 0.401 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1749740667 XKYSYHXXRNLWNS-KXBFYZLASA-N 442.538 0.530 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1760450067 CKBFAYZGRNSLMF-MRXNPFEDSA-N 443.570 0.819 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760512153 JAXOGMJULBSLGR-MJGOQNOKSA-N 429.569 0.965 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1763138729 XFEVRDVFBWECIB-NEIYXTIMSA-N 448.549 0.799 30 10 ICEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1767495846 IIINAIYRYQQQRK-QGZVFWFLSA-N 447.565 0.521 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCCO2)C1 1771360620 DDLQEGINMBFDGL-DLBZAZTESA-N 438.554 0.920 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)cn1C 1772790583 QDZASSJHTQYHET-UHFFFAOYSA-N 432.458 0.884 30 10 ICEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(C(C)=O)CC2)cc1=O 1870562852 ZEBQDISBBBFQMC-UHFFFAOYSA-N 432.502 0.220 30 10 ICEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)COC1 2255681725 WFSTYINFQWXHIY-UHFFFAOYSA-N 436.318 0.980 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 434795935 SNCCYPTYICJVEM-UTKZUKDTSA-N 428.468 0.209 30 10 ICEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 512733782 HJYAGKQRHLPGAL-GOSISDBHSA-N 448.520 0.176 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)c1 538497414 SLAGMXDOAOFCDX-UHFFFAOYSA-N 439.497 0.686 30 10 ICEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 543218363 QZNQVIOPPQXWMC-UHFFFAOYSA-N 428.449 0.558 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cocn2)C1=O 730724791 OOVWDSYVXRCNPO-INIZCTEOSA-N 444.517 0.973 30 10 ICEE C#CCN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)[C@H]1CCS(=O)(=O)C1 751273663 JUNHKMQIRBJZEK-ZDUSSCGKSA-N 439.540 0.561 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cn1 772310586 BBZOKCCEZWFFFA-UHFFFAOYSA-N 432.527 0.124 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286389111 FVDRVKKWXAYUHJ-UZLBHIALSA-N 444.517 0.806 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1286821868 CJZSIMZWFUDLEC-UHFFFAOYSA-N 438.579 0.993 30 10 ICEE COC(=O)[C@H](CCC(=O)N1CCN(C(=O)CC#N)CC1)NC(=O)OCc1ccccc1 1294721843 ICENODQNULAVTL-KRWDZBQOSA-N 430.461 0.819 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300722324 ISJUKAXNGSMHSH-NJAFHUGGSA-N 428.537 0.746 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1359023846 YHIQCKVORZVCNZ-UHFFFAOYSA-N 449.533 0.917 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359206685 MNBYIULNMOPIEP-IERDGZPVSA-N 432.525 0.434 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C1 1359313812 RQAQAXFGLAUXMX-CVEARBPZSA-N 444.627 0.718 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1359342938 IFSPMQIBJFDXDZ-HRCADAONSA-N 443.595 0.898 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1360339963 YIJFENYQCDRKRK-QZTJIDSGSA-N 444.533 0.652 30 10 ICEE CN(C[C@@H](O)CN1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1445377530 XGAAQPDCCRPIJO-YHHIVYBXSA-N 436.553 0.925 30 10 ICEE CCOC(=O)CON=C(C(=O)Nc1n[nH]c(C)c1I)c1cc[nH]n1 1452524362 RWWLFEBNVVYDKW-UHFFFAOYSA-N 446.205 0.968 30 10 ICEE C#CCN(C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1470518945 TWIILHINBSVXSK-FQEVSTJZSA-N 446.573 0.716 30 10 ICEE CN(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1503405044 RJYGNVXVWQUDOQ-HNNXBMFYSA-N 438.492 0.901 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCC2)CC1 1507738706 WBWBXSKSCCFNQS-PKOBYXMFSA-N 441.580 0.927 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)CC1 1507739555 RMUMTFRGPTYWQL-AZUAARDMSA-N 444.580 0.859 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507781723 HBZQJNRPMFCJCL-RYUDHWBXSA-N 447.359 0.608 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507846930 CBXGRKSVHOBTGP-UHFFFAOYSA-N 445.524 0.514 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508139166 DKJMKAHRWQRIET-FQEVSTJZSA-N 430.534 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1508149194 PYNOONYGBJSMRJ-DNVCBOLYSA-N 441.554 0.246 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539774965 HKABCSCGZGZVBQ-RYUDHWBXSA-N 440.979 0.159 30 10 ICEE Cn1c(=O)c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2n(C)c1=O 1558455006 DJYVIZYJDGUBNY-UHFFFAOYSA-N 441.469 0.305 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)CCOC)CC1 1588923785 LZBAIPBGIXHEEO-NRFANRHFSA-N 427.509 0.488 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1)C1CC1 1595058154 CBVNVUMEESFVOH-HNNXBMFYSA-N 436.542 0.435 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O)C1CC1 1595058475 NGONVOSPYOOIAI-INIZCTEOSA-N 426.543 0.292 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 1622759395 JOISZKCYUGYNHM-QGZVFWFLSA-N 435.506 0.421 30 10 ICEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1634493039 YLHADPQZBJYLRY-UHFFFAOYSA-N 426.491 0.488 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)CC2CC2)CC1 1690129508 ZJOBZDKTCCJTDG-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1690190229 OXLWUKOWJZITOB-RHSMWYFYSA-N 443.595 0.705 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1 1690527974 VQNCILXHOVCJNA-AWEZNQCLSA-N 442.567 0.884 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1691003214 DUQIYQGDUXPRHJ-SJORKVTESA-N 437.614 0.802 30 10 ICEE CC(C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691806715 TVDONPQDNLJNLX-TXSJJRPESA-N 448.549 0.943 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1694271454 HJPAWNDYBFOPTG-OGHNNQOOSA-N 429.522 0.635 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705568234 JOWWRURTOSNGIL-SJORKVTESA-N 435.550 0.452 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1705612424 GTSIUFSBJAOMRO-SFHVURJKSA-N 438.598 0.945 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1705628838 QQAHJQCKMAJMCY-APWZRJJASA-N 443.570 0.104 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCOCC2)CC1 1705647192 ALYXQBKUCHYOPM-ICSRJNTNSA-N 444.580 0.859 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712712962 SUFNHNGYMZNFCV-SFHVURJKSA-N 444.565 0.380 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722366596 IKBXPSGBQACZDO-QGZVFWFLSA-N 449.577 0.845 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1722397451 QOWDPACMAOJYBH-KRWDZBQOSA-N 431.522 0.040 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1722398123 XZEGPKPMFUXYHQ-PMACEKPBSA-N 447.605 0.880 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722436010 YPBLVRIFJXIAQT-GOSISDBHSA-N 425.537 0.534 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724014278 AFDDBFMAFGQQOI-JXFKEZNVSA-N 449.581 0.812 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1728777715 BERNUAVYQHSVFT-MOPGFXCFSA-N 439.538 0.220 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1730875576 MWMZZISBVNBIDL-KDOFPFPSSA-N 432.481 0.856 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC1 1740706492 ZGAAYDABDPXUFZ-AEFFLSMTSA-N 449.577 0.573 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1748790676 KQQLQLCPHLXZCB-QFBILLFUSA-N 439.607 0.458 30 10 ICEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1748802591 FYBYRRXXRZJJCC-OKILXGFUSA-N 426.543 0.667 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1760175844 SQJATILQWSUWJD-OALUTQOASA-N 447.561 0.938 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1760316413 RGAZSLWOTMFMSV-KKUMJFAQSA-N 431.584 0.438 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760451121 AAXABYBZTXEZOU-OWCLPIDISA-N 431.534 0.998 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1(=O)=O 1760464623 LMONLYJMUQUDDE-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850050198 QASPUDUDWQRZLM-HNNXBMFYSA-N 436.914 0.796 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2269063109 DDKOFBZVTIZUBA-HNNXBMFYSA-N 444.297 0.904 30 10 ICEE CC(=O)O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COS(=O)(=O)c1ccc(C)cc1 8626868 GHJVZRAILPFSAM-BRWVUGGUSA-N 438.458 0.778 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 508489924 AALZWQZWOOTQDO-RDJZCZTQSA-N 435.554 0.915 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2=O)cc1 551740753 QVLAZJWEQOOUJX-GOSISDBHSA-N 449.442 0.839 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 552688451 IZVUDAWGYNJHPC-CJNGLKHVSA-N 428.536 0.107 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 580007519 RTMGBZTXWSCSGV-UHFFFAOYSA-N 447.560 0.865 30 10 ICEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ncccc2C#N)CC1 619510212 CWXJRPFGFKAQQT-MRXNPFEDSA-N 442.545 0.470 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 742408464 FVSWPTVMDIIKBN-UHFFFAOYSA-N 429.506 0.159 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 746006332 FUXOCYIWTRRHIV-SFHVURJKSA-N 433.530 0.842 30 10 ICEE COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 768066910 AFBNNETWGDYEAX-KRWDZBQOSA-N 434.518 0.634 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 800901177 PFLRVUOABINXCK-OAHLLOKOSA-N 448.588 0.528 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c(C(F)F)n1 812274006 QTNQGZPAJZTAFF-ZDUSSCGKSA-N 449.483 0.542 30 10 ICEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 1125064708 NQQHRJAEARNBMF-IBGZPJMESA-N 439.490 0.836 30 10 ICEE CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1136281675 LYUYPSQIOYGOFX-SILNSSARSA-N 439.519 0.973 30 10 ICEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1192472301 UJZIFLRNVKYLKD-QGZVFWFLSA-N 431.514 0.412 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1286409725 OQKGOUUNCQBSJQ-MOPGFXCFSA-N 433.578 0.610 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1286785147 BIKAUYRBPNJLMK-INIZCTEOSA-N 433.557 0.326 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1300502263 RQSNGASYKQXXRN-GOSISDBHSA-N 429.546 0.913 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358955515 NJWTZENHYQEHGD-QGZVFWFLSA-N 447.565 0.638 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1358969976 BMSMAUXSUFCWQL-QHCPKHFHSA-N 442.564 0.556 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359297976 ISTQQLPCBWMRAI-UHFFFAOYSA-N 437.508 0.964 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1360676281 NURGYVOBSLFIRZ-UONOGXRCSA-N 437.570 0.933 30 10 ICEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1468480872 FORQEWGBVPZOGG-INIZCTEOSA-N 428.532 0.895 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1479499636 OKWIQXVKBJMCEE-MRXNPFEDSA-N 447.536 0.378 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1504964373 HRBJLVUZSPTJGX-OXJNMPFZSA-N 437.520 0.608 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CC=CCC2)CC1 1507738782 YQBILPULPXQMPZ-GOSISDBHSA-N 425.537 0.457 30 10 ICEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1508095355 WUCOMCYHGYWFJV-BEFAXECRSA-N 441.554 0.244 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1508153231 WZKHLVJPJMDGID-CQSZACIVSA-N 430.600 0.866 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1510217524 HOHZXXJRBJVLDJ-RHSMWYFYSA-N 445.549 0.939 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1539200754 NRTLCFXNNACNLU-QGZVFWFLSA-N 449.577 0.958 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539706841 VHEZDUSOMZIBFR-GJZGRUSLSA-N 442.542 0.464 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540903153 ZNMULMNCPXAKMD-INIZCTEOSA-N 437.566 0.878 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)cc1 1543120589 BFFMTSMNJBCMME-INIZCTEOSA-N 430.490 0.333 30 10 ICEE CCN(c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1547346392 YTBQHVBGMKWFRU-ZFDMEJTGSA-N 436.538 0.941 30 10 ICEE CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555818787 FSIMEHARSNSYMS-UHFFFAOYSA-N 430.538 0.373 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555995157 MZNKUQFUSXHPQM-HNNXBMFYSA-N 437.547 0.599 30 10 ICEE C#C[C@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)C1 1557241672 YBWBETLEZZJIBP-SFHVURJKSA-N 449.511 0.926 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 1558073247 OQLNRMBEVCYKNM-UHFFFAOYSA-N 448.574 0.339 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccco2)CC1 1588930150 OMLQTOMOLOCCGW-QGZVFWFLSA-N 440.504 0.771 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O 1589663741 PXUFVFDTFVMCOI-HNAYVOBHSA-N 440.570 0.492 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 1594241444 QQEQOAHDKBLBNF-DLBZAZTESA-N 441.554 0.429 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1620025068 MVGXGECJPOYMJB-ARFHVFGLSA-N 442.542 0.155 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1620025071 MVGXGECJPOYMJB-BZUAXINKSA-N 442.542 0.155 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1637715631 YHRQRQWOEZYKPO-KRWDZBQOSA-N 449.529 0.169 30 10 ICEE CNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1646050833 GTVWDTHVABAQMD-UHFFFAOYSA-N 447.561 0.239 30 10 ICEE N#Cc1ncn(CCNC(=O)N[C@@H](CO)c2ccccc2I)n1 1682389008 JDXYGNBELCHORA-LBPRGKRZSA-N 426.218 0.787 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1690515218 ICTXFRBARFQRSF-HNNXBMFYSA-N 435.554 0.790 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1705599065 UYFVBWOKBKMTGX-QRVBRYPASA-N 449.577 0.889 30 10 ICEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OCC)CCOC1 1705908056 GOGAVQKXFSXQJJ-OAQYLSRUSA-N 428.493 0.896 30 10 ICEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1710605127 BPAMNLFDGDXVNO-RDYUPDBUSA-N 446.533 0.928 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1712694920 CZRAMBBKZGRULR-UHFFFAOYSA-N 449.558 0.876 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1712711571 QMNUPDACRVJVJP-WBVHZDCISA-N 443.533 0.328 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1722368503 RFVITAGNGOWUCR-HZPDHXFCSA-N 428.518 0.554 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCCS2(=O)=O)CC1 1722446897 BAQUSHXLHBIHOM-UHFFFAOYSA-N 434.566 0.547 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722699260 TVZFQDIKDAMACC-QZTJIDSGSA-N 429.525 0.885 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722727980 MFVWRBJZBMSLAH-KFWWJZLASA-N 428.580 0.873 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(=O)NC)c2)CC1 1740699141 VYFPCYXAXCXVKW-UHFFFAOYSA-N 449.559 0.758 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740958536 DAHJZRUPKJJTBY-VQIMIIECSA-N 429.569 0.837 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1740963143 APLXHUFIJHGLHM-UHFFFAOYSA-N 429.529 0.293 30 10 ICEE C#CCCCn1c(-c2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1748745095 FOPGLNSRPQWSBM-UHFFFAOYSA-N 435.492 0.220 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1748965053 PCEPDTLMVJYZBL-HXUWFJFHSA-N 436.509 0.644 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749103895 GPSIDBHDIJNZKE-BLLLJJGKSA-N 444.355 0.805 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1749666094 GXEMPFRIGUNLGM-LJQANCHMSA-N 446.512 0.982 30 10 ICEE CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1750191190 BQELHFSDEAESDW-HNNXBMFYSA-N 441.579 0.887 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760144818 BOHPUXJHWWQXDE-DLBZAZTESA-N 435.554 0.712 30 10 ICEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760165405 RESKGBMJHKKISI-LPHOPBHVSA-N 425.555 0.670 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760514319 AZODHCJEOGUGFQ-INIZCTEOSA-N 430.513 0.129 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1760528543 GGLVOEPHOXCUCK-QFIPXVFZSA-N 446.552 0.727 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1771537035 GNOFEKQXRNRIKU-XJKSGUPXSA-N 448.480 0.687 30 10 ICEE O=C1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1771570732 MIPKQXKAORUWSK-QFPXGYFVSA-N 429.481 0.372 30 10 ICEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cnc4nc[nH]n4c3=O)sc2c1 1866072258 CAYDLEUOSYRWGA-UHFFFAOYSA-N 431.459 0.744 30 10 ICEE O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932101 UEKXDEAICNKTFM-IBGZPJMESA-N 442.541 0.785 30 10 ICEE C=C(Br)CS(=O)(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 2006232046 SDZGPUREWVHTAP-CQSZACIVSA-N 429.333 0.813 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)n1 2255841547 DRLXOZYAPORZON-RYUDHWBXSA-N 433.318 0.709 30 10 ICEE C=CCOC[C@H](O)Cn1c(NN=Cc2ccc(OC)cc2)nc2c1c(O)nc(=O)n2C 2328607882 NQAVCNCYALMFBH-CQSZACIVSA-N 428.449 0.854 30 10 ICEE Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 238920594 TUHMZVCYBYZXOL-UHFFFAOYSA-N 437.547 0.994 30 10 ICEE N#Cc1csc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 583114943 HPUAHVJIADUMEA-UHFFFAOYSA-N 427.533 0.169 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn3ccccc23)c1=O 758076856 XDOXJDHSNVENPB-UHFFFAOYSA-N 435.534 0.269 30 10 ICEE COc1cc(OC)c(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1Br 798836217 IEFMDJXCZUZFCM-QMMMGPOBSA-N 444.267 0.996 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 802332452 MWUHSNDFDHRSFS-GOSISDBHSA-N 427.505 0.744 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807937878 ORKWPXPLDWFHMM-GOSISDBHSA-N 439.545 0.996 30 10 ICEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ncccc2C#N)CC1 1135889360 DYIAHYIZTRPCMD-CJNGLKHVSA-N 435.531 0.391 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1cc[nH]n1 1159071428 VGIXEPNGYYLCJR-QGZVFWFLSA-N 429.477 0.229 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1286389580 MTGFAYZOLPKSOR-INIZCTEOSA-N 447.565 0.468 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1 1286493269 NALLKLUUOLDXFL-INIZCTEOSA-N 435.550 0.061 30 10 ICEE C#Cc1cncc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1290456850 QKRWXYCHYLGIJA-UHFFFAOYSA-N 441.513 0.441 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1300548397 INDPKBRRGDRNKL-FQEVSTJZSA-N 432.477 0.619 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301497836 FTSOHNRDJYGVDG-IRXDYDNUSA-N 431.541 0.080 30 10 ICEE CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)CC1 1303941460 BHMCGXJVYGMLSN-INIZCTEOSA-N 440.570 0.904 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1306652965 WNZHWCZSRBAFGT-JKSUJKDBSA-N 428.555 0.762 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCO1 1309495227 BFRCTGMKOJETEX-MJBXVCDLSA-N 440.444 0.004 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2conc2COC)CC1 1359045114 XKKVCOGGKLXXNX-MRXNPFEDSA-N 441.492 0.378 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359304164 OMAGVVVGTMOEHZ-UHFFFAOYSA-N 447.540 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359335032 YFUOJPVVMGZYRM-CVEARBPZSA-N 425.555 0.863 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359508083 MZPQSOXUTGNYQM-IIUXCQHESA-N 427.509 0.818 30 10 ICEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc(C#N)n1 1469920526 IWKKFGBPXDCSEN-GXFFZTMASA-N 430.387 0.530 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1507611915 QDEVIHVSZWMEBU-AWEZNQCLSA-N 426.502 0.696 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1507623079 QSJQCYNKKJQFPV-INIZCTEOSA-N 438.598 0.631 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508079701 CVRVBBDFGVDFRF-LBPRGKRZSA-N 440.430 0.486 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2F)CC1 1538844857 ZOWNUEHKOMGNJH-LJQANCHMSA-N 438.481 0.433 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nncn2C)c1 1539039840 JTFIREJZTSJFPX-UHFFFAOYSA-N 430.476 0.912 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539467733 YDGVVKBUKNUIRN-HNNXBMFYSA-N 429.525 0.530 30 10 ICEE CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546540114 FKVHOBVZEUQVLM-QBNCKDSPSA-N 429.525 0.525 30 10 ICEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 1588262814 QDDMXSGKZARBNH-VOTSOKGWSA-N 425.489 0.484 30 10 ICEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 1630587630 WVDMKYQUGXJFLD-SFHVURJKSA-N 440.543 0.363 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1632965549 AFUQTRXEVWOGJP-SFHVURJKSA-N 434.518 0.257 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCN(O)C1=O 1636546849 ZQYPKEGZWRXYGI-KBPBESRZSA-N 431.898 0.370 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1636703849 JEZRLYYWDCMDQA-IBGZPJMESA-N 434.562 0.125 30 10 ICEE COc1ccc(CC(=O)NCC#C[C@H]2CCCCO2)cc1S(=O)(=O)N1CCOCC1 1640375567 VUEXFPGXMPRGAG-GOSISDBHSA-N 436.530 0.947 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2c(=O)n(CCC)c3ccccc32)CC1 1650846413 WBKWKSKQRJLNTC-UHFFFAOYSA-N 433.534 0.215 30 10 ICEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1697000275 SBKXJAZTUFYQHU-HXUWFJFHSA-N 428.518 0.968 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705663864 FKUOJWTURNLGHD-SFHVURJKSA-N 432.594 0.925 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1706854248 FYIHFRGWXYZNOI-MGPUTAFESA-N 447.565 0.463 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1712458992 DXWAECFYVOQUJK-QFIPXVFZSA-N 438.536 0.950 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722372539 YSQMYKXNPQMFSG-JKSUJKDBSA-N 426.564 0.292 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722702581 QCIBJLSWHWKIPU-HZPDHXFCSA-N 437.570 0.700 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1722739323 VEKYJCZOALMGRM-INIZCTEOSA-N 429.612 0.868 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1740625070 LZFFBISHRZGAOK-QGZVFWFLSA-N 426.506 0.182 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 1740810717 FNMGWZCKHWTTJB-AWEZNQCLSA-N 448.977 0.572 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760145360 NOTAOPNGNPUYJW-OAHLLOKOSA-N 439.586 0.932 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1761463270 HUGGREJEQUZKLU-ZIAGYGMSSA-N 445.549 0.961 30 10 ICEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)CC1=O 1856472417 CPZIFBCTIFZCAL-CRAIPNDOSA-N 437.562 0.580 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(N)cc(O)n3)CC2)nc1C 1859431014 OOYIMBKZYAELNT-UHFFFAOYSA-N 433.494 0.633 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669456 DLOOMABESJEBQV-IMJJTQAJSA-N 449.313 0.660 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 24859778 CXULEATZCMUVRR-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462753002 CCJWHVITSCVHIF-AWEZNQCLSA-N 447.492 0.912 30 10 ICEE Cc1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1S(=O)(=O)NCC#N 477885916 YRTJYFUVYJQQNN-UHFFFAOYSA-N 447.561 0.471 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 514492248 VXQONASDLNNSMU-NVXWUHKLSA-N 427.526 0.743 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 604169328 SASYPVBAKIKNAU-ROUUACIJSA-N 430.553 0.825 30 10 ICEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1C(=O)NC[C@H]1C(=O)O 757542751 LRNQKYQWWQJJHQ-WIYYLYMNSA-N 447.447 0.844 30 10 ICEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 774015973 RIOCOQNCTANTPI-INIZCTEOSA-N 441.531 0.362 30 10 ICEE C#CCN(C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 798493321 PTLRFZKVDCMGGM-AWEZNQCLSA-N 447.966 0.840 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOC)CC1 802490639 OKIMCJSUGWTCSE-UHFFFAOYSA-N 428.493 0.744 30 10 ICEE N#Cc1ccccc1CN1C(=O)CN(CN2CCCN(S(=O)(=O)C3CC3)CC2)C1=O 802745641 HWKPHITYBUOZKT-UHFFFAOYSA-N 431.518 0.780 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286380235 BIKMCASAARYYIW-SFHVURJKSA-N 430.534 0.493 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1286409116 IFCWXZBSPZUIOE-KRWDZBQOSA-N 444.517 0.136 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)CC1 1286663220 ISWVGJJGZFJBON-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@@H]1CCCO1 1288826586 TWWUIIMPUKVFOE-MPGHIAIKSA-N 444.533 0.916 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1300307916 KEGIWFVGXOMIMK-WMZOPIPTSA-N 444.561 0.918 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1300885773 SKRNBWCIROMMNO-ALKREAHSSA-N 432.525 0.681 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1301492490 JEAGWXLPJOXFLF-NRFANRHFSA-N 426.477 0.938 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301499590 CJYXHYLTYFTOIZ-HOTGVXAUSA-N 438.554 0.089 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)CC1 1309227338 FPTPCEUWJBJIAQ-QGZVFWFLSA-N 446.573 0.993 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 1311958248 IWBIAEZUGBLEKO-UHFFFAOYSA-N 429.340 0.786 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1360676280 NURGYVOBSLFIRZ-KGLIPLIRSA-N 437.570 0.933 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1507513535 AHSRWBWFKKKOPQ-ULQDDVLXSA-N 426.587 0.847 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507842932 FPYGTYMZJYNUJD-ROUUACIJSA-N 445.568 0.565 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1 1507968250 QNIAWFBZOPHQDZ-CRAIPNDOSA-N 444.627 0.718 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1507968751 ZGFDWLWRAJFDSK-AWEZNQCLSA-N 427.552 0.984 30 10 ICEE C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539087050 QSIAWNKVCOPZPA-VGOFRKELSA-N 444.536 0.269 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)C 1539668779 FMTNSFUTVGTNMS-MRXNPFEDSA-N 442.586 0.928 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540858391 UWMNZWKQZCAFTD-MRXNPFEDSA-N 438.554 0.246 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N1CCOCC1 1587632109 IQMOAAXAZBUABU-KRWDZBQOSA-N 438.536 0.769 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1588930110 NVNZZETVTWIYDQ-PMACEKPBSA-N 444.580 0.595 30 10 ICEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593909068 YAQOCTITXMHVHC-OAHLLOKOSA-N 430.896 0.799 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1594732919 JLEWAMOOZCNSAR-HOTGVXAUSA-N 440.570 0.669 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(=O)n1C1CC1 1614827245 GUBJRWRHGMVBBZ-FQEVSTJZSA-N 432.484 0.934 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1617688617 SLANEJPOSFSRMT-CVEARBPZSA-N 431.555 0.898 30 10 ICEE CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646147493 JMDAFKWGFYXKGI-INIZCTEOSA-N 425.445 0.984 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3ccco3)n2CC)CC1 1650846011 FUZJEXGBCQCLPS-UHFFFAOYSA-N 438.535 0.262 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 1665178736 FLWUINJQSJTSHD-UHFFFAOYSA-N 432.376 0.970 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1689997217 XSWKZQUFYIEJEB-KRWDZBQOSA-N 445.549 0.069 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1692580617 AEMUIWQZKMERBE-IRXDYDNUSA-N 430.506 0.310 30 10 ICEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1698278480 LKSANWCITNOGDL-SJORKVTESA-N 439.476 0.942 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1722295505 LBFBIZQVGOVURD-KBXCAEBGSA-N 448.549 0.984 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722359119 QBHZFXPYBQKEBI-DLBZAZTESA-N 437.566 0.812 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1722359216 QZYIFCTXYQIZIY-INIZCTEOSA-N 435.554 0.376 30 10 ICEE C#CCN(c1nnc(CC)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722368440 RQEHJAYTYXRUHN-HNNXBMFYSA-N 428.580 0.825 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740590560 IBAUSFJOZIDGCA-OAHLLOKOSA-N 443.595 0.502 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1740695590 YBESRGCDYOISTQ-GOSISDBHSA-N 448.522 0.790 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCCO)CC1 1740699079 TYVRWTOIGZFSGJ-IBGZPJMESA-N 429.569 0.003 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740888442 SARNNYKYTDCYGG-JKSUJKDBSA-N 438.554 0.329 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CC1 1748956315 BXERMMUCMKFYIP-HKBQPEDESA-N 440.533 0.918 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](COC)OC 1749067557 UHIRUJOTNNGVRA-TXPKVOOTSA-N 441.554 0.265 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1749680783 QWWIEJOMUCNAJH-OAHLLOKOSA-N 428.493 0.835 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1760116959 LTHAYIYWIUULPD-CABCVRRESA-N 440.570 0.231 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1760220075 WBBLCVNUCVQEPM-MOPGFXCFSA-N 448.593 0.414 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760297238 MABZEOPXBWZQCG-WOJBJXKFSA-N 432.550 0.681 30 10 ICEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563825 LBHWXFYOCZZVRR-UHFFFAOYSA-N 443.508 0.751 30 10 ICEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)CC1 1872904375 SVZIDZGLCBSXBF-HNNXBMFYSA-N 434.518 0.228 30 10 ICEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)[nH]2)o1 253576308 VQYJWQVSOLKJNB-KEBDBYFISA-N 448.553 0.913 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1=O 440252496 GEYAYQZQRZIDOX-SJLPKXTDSA-N 449.529 0.823 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4nccn4c3)CC2)cc1 557349167 HDCAUKBYZKCDTL-UHFFFAOYSA-N 438.469 0.678 30 10 ICEE CCN1CCN(c2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)CC1 732446981 ZXXPYHMDIVSSFW-FMQUCBEESA-N 427.509 0.549 30 10 ICEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 780394074 QDAPSWCJEDMJHJ-KRWDZBQOSA-N 437.543 0.251 30 10 ICEE C[C@H](C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)n1cnc(C#N)n1 798994821 WPDHZPRUCYFNAS-HUUCEWRRSA-N 431.497 0.781 30 10 ICEE C=CCn1c(C2CC2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S 913064106 OQFYRYOWLWSTQP-UHFFFAOYSA-N 428.584 0.630 30 10 ICEE C[C-]1NN=C(C(=O)NC(C)(C)C2=[N+](C)C(O)=C(O)/C(=C(/O)NCC3=C=C=C(F)C#C3)N2)O1 1083076702 LTKLIVMNDQPOTA-UHFFFAOYSA-O 444.423 0.120 30 10 ICEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cn1 1084064639 WNQISQUZZKLBSJ-UHFFFAOYSA-N 436.527 0.777 30 10 ICEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1136950728 OKCIHIZTWNBNFO-OAHLLOKOSA-N 440.472 0.098 30 10 ICEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1159656446 JHIZUFDDMGNPIZ-SFHVURJKSA-N 429.454 0.669 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387141 AWFOPDWYSFFDSP-INIZCTEOSA-N 431.518 0.669 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N(C)C)CC1 1286793859 OAHXXUOUMHUQNQ-PXNSSMCTSA-N 448.568 0.999 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300336606 LAYUGRDXJBNGJY-OAHLLOKOSA-N 427.513 0.752 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)C(F)(F)F)C2=O)cc1 1300655973 UTZOCECFYXLEOA-GFCCVEGCSA-N 432.380 0.814 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359330530 VEJAUDFOODHVID-INIZCTEOSA-N 445.549 0.981 30 10 ICEE C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1360535326 BZOOOIVWGCQBOA-NVXWUHKLSA-N 447.565 0.874 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630884 JHJGITMQFROLEM-DLBZAZTESA-N 446.533 0.557 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1507631458 DOEGFTZIBNMTPX-MRXNPFEDSA-N 428.518 0.715 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507731310 FNFXAKGEHNSYGH-RWNPKEDZSA-N 439.520 0.454 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 1529475684 KMLULMIRNKYUCI-KRWDZBQOSA-N 425.532 0.918 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539222598 WUTWROZCOQETDX-MBOZVWFJSA-N 438.550 0.604 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1539615137 GFQJUOFBICXCPA-VIQHNZTISA-N 443.570 0.720 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)s1 1540137696 XVCMKGJDZLVOBQ-UHFFFAOYSA-N 441.575 0.852 30 10 ICEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1555518624 DMUDVLYZORGIMN-UHFFFAOYSA-N 449.533 0.751 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1555985012 GMBOPCMWDUNWKL-OGHNNQOOSA-N 445.421 0.934 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 1558072999 IEIXGMWCWSMWPZ-UHFFFAOYSA-N 435.481 0.810 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC(C)C)CC1 1588806319 MRSXKHGQCSWPFO-UHFFFAOYSA-N 431.566 0.732 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589069011 HJCKQHOJTRRJEQ-HOTGVXAUSA-N 427.596 0.914 30 10 ICEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1589647110 ZBIJDIFNVOFLTE-YHVDPYDOSA-N 428.507 0.564 30 10 ICEE C#CCN1CCC[C@H](NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1595790268 KGFPZROXGWNMHQ-SFHVURJKSA-N 435.546 0.472 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 1617212899 DWPQEIFJAWQCPM-YTQUADARSA-N 433.578 0.900 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1620356310 WGUQQFLBTGWEHE-GOEBONIOSA-N 434.451 0.820 30 10 ICEE C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OCC 1624304381 VFAJNIFIEHNBKZ-PVAVHDDUSA-N 428.482 0.964 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n[nH]2)c1C 1627713978 SASHXVNPLOUUEZ-ZWKOTPCHSA-N 448.549 0.304 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 1644059952 XXNZVKNSMNKLGJ-UHFFFAOYSA-N 433.486 0.737 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 1683839236 LJILJBCCBVXFCX-UHFFFAOYSA-N 447.561 0.394 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O 1689848150 PPPXPGHYQJFRRB-CYBMUJFWSA-N 429.506 0.991 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 1690432933 OZQGEWBHFMMPIR-HNNXBMFYSA-N 440.570 0.492 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705819238 HKSVXYXXQUHGEM-LSDHHAIUSA-N 431.584 0.617 30 10 ICEE CC(C)(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706184768 RQGXDUIZQUGVCM-RDTXWAMCSA-N 444.533 0.868 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCS(C)(=O)=O 1722350063 KPFOOSPCSFKBPS-UHFFFAOYSA-N 444.517 0.323 30 10 ICEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1724249564 FNEOIDOSWUAJDG-GOSISDBHSA-N 437.504 0.981 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1729372792 HMQWMEUITLDKTP-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740625545 QZPHQRIUWYAGRM-AWEZNQCLSA-N 445.492 0.309 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740671797 OUJCVAPXMZGCFL-KRWDZBQOSA-N 448.549 0.300 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1740704563 SNPTVEPSARMQLI-UHFFFAOYSA-N 429.488 0.959 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1748962622 MPMVNTBAUVXZOU-OAHLLOKOSA-N 425.555 0.429 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749225615 HFRCEWOAPHAMJV-RDJZCZTQSA-N 445.524 0.589 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1749489080 RDAWZICONIUYKY-HOTGVXAUSA-N 441.554 0.776 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1749655120 DAQZMIXVEAJDIK-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760545083 NFKQXBLYHABYIP-JXFKEZNVSA-N 433.534 0.979 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1771112808 YEPJMVHAJXPLPH-YJBOKZPZSA-N 427.527 0.352 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)CC1=O 1856791923 LJSVPYLLPFMIDW-SWLSCSKDSA-N 430.429 0.988 30 10 ICEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596515 JZHYGBYMPXVSET-QWRGUYRKSA-N 445.251 0.786 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)n1 2282831678 CLKMIULJACCINL-CQSZACIVSA-N 427.332 0.683 30 10 ICEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314457456 LFKRSEJHRIXDET-UHFFFAOYSA-N 447.542 0.603 30 10 ICEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1CN(CC(=O)NN1CCOCC1)C2=O 35969722 QHSVQMWCLYRJDP-FQEVSTJZSA-N 425.489 0.707 30 10 ICEE CC(C)N(C[C@H]1CCCCN1C(=O)[C@@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687080 OLBJCNUHHUXGNN-MSOLQXFVSA-N 448.373 0.725 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 460894960 KEQYCOLYLRNZCL-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 489061792 RKCJMJJCCGCFBI-UHFFFAOYSA-N 425.492 0.562 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 508918307 MOUXCADZRCHTJC-OAHLLOKOSA-N 426.543 0.102 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 542175029 XBHKSCUILFSKPY-YOEHRIQHSA-N 444.517 0.266 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 549272279 BYEUSLQJLPLITK-INIZCTEOSA-N 440.570 0.492 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 726042023 CDCOTHAGZYXILY-UHFFFAOYSA-N 428.401 0.270 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cn1 730144152 HQUAIQOBWOVETR-HNNXBMFYSA-N 437.570 0.427 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(F)cc1 743725238 JWZARTNHMSCEGM-UHFFFAOYSA-N 427.461 0.130 30 10 ICEE CCOC(=O)CON=C(C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1)c1cc[nH]n1 799723603 NKULMPGDHFOFAV-UHFFFAOYSA-N 426.437 0.979 30 10 ICEE CC#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 810776664 CPNROKNAYBECPG-JPDRSCFKSA-N 438.505 0.935 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 837846917 FGKUOKBZOUNJSQ-QGZVFWFLSA-N 435.509 0.964 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 916179685 OMGBFJLAUAMNBA-OAQYLSRUSA-N 438.465 0.898 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)C2)c(=O)nc1O 1180990542 VFHNACCBYJBDMO-UHFFFAOYSA-N 447.448 0.441 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1219911616 HXDKJEHNYZOHDI-HNNXBMFYSA-N 429.424 0.956 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286421168 BYNXMDMCHUOBOQ-WIYYLYMNSA-N 449.577 0.675 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(=O)OC)CC2)CC1 1286483675 UBCDHTFUPGEMGY-UHFFFAOYSA-N 443.552 0.634 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286823915 ROIJVKOCVAKUAM-CQSZACIVSA-N 447.569 0.867 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1300650243 RTQUSZOTHPJAGN-OAHLLOKOSA-N 425.493 0.926 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCSC)CC1 1300711411 BFYQWRQEDGZCHZ-CQSZACIVSA-N 442.611 0.607 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCCC)CC1 1300729172 PAARWJRDWWEIEP-UHFFFAOYSA-N 443.552 0.283 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1300732642 BUFDXKLPTRRFRK-OAHLLOKOSA-N 442.611 0.559 30 10 ICEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1302425366 IBLKZIGLCOKTHO-UHFFFAOYSA-N 435.531 0.629 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 1302924806 SCSJLCWXWFNIEF-WKILWMFISA-N 428.555 0.682 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1358994676 UAZGNSYNEQJGEL-KRWDZBQOSA-N 435.550 0.379 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1359302448 HTURNFGHZAEQSD-UHFFFAOYSA-N 438.579 0.949 30 10 ICEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)COCCO1 1360843888 PDXBTAZDBNKHFJ-HRAATJIYSA-N 426.477 0.846 30 10 ICEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1 1456617063 NCVIGJYRDLPLDK-QFBILLFUSA-N 439.559 0.677 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)OC)C1=O 1472111918 FPGWCSLHMBQLBP-HXUWFJFHSA-N 427.417 0.061 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507629900 XVTISYUFJPYCTE-MRXNPFEDSA-N 431.518 0.999 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507630847 ISBICTNWRUUODL-MRXNPFEDSA-N 426.506 0.452 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1507640783 WBYPMURWPMTIFT-IBGZPJMESA-N 439.545 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508142873 BSXTVTJALSNSAI-HZPDHXFCSA-N 433.490 0.979 30 10 ICEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCOCCCO)cc1 1521102024 MHJVBHTVNQOEBM-MJGOQNOKSA-N 440.504 0.843 30 10 ICEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CCOCC1 1535308564 DIMQVDBXZNPDAP-UHFFFAOYSA-N 433.530 0.842 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1539435844 CUEXQBHXMDESNN-UHFFFAOYSA-N 438.532 0.991 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539803362 ICBUOPFOATWCEW-QWHCGFSZSA-N 437.975 0.403 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 1544142220 YGBYDWWBDXDRKE-INIZCTEOSA-N 428.555 0.669 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 1589694698 QLESSJUPOJRVNH-TXPKVOOTSA-N 428.555 0.954 30 10 ICEE CCN1CCC(N2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 1611446545 DMKOCOLHRBYMJY-UHFFFAOYSA-N 433.578 0.855 30 10 ICEE Cn1ccc(=O)n(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c1=O 1618821554 DNNLEUJHQMCMDS-JXORXQGFSA-N 445.520 0.840 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1619767768 AHQSOTMNLZWWMV-JOCHJYFZSA-N 442.520 0.899 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCn2cnc3c(N)ncnc32)cc1 1626814163 TVMDPLVCLBOUJT-UHFFFAOYSA-N 427.490 0.482 30 10 ICEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634918996 ROWKACXOVZUNGM-ZWKOTPCHSA-N 433.534 0.630 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3CCN(CC#N)CC3)CS(=O)(=O)[C@@H]2C1 1641258831 OTWMVEMTZRFOIS-DJIMGWMZSA-N 440.566 0.761 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1655597197 ICAUDUFDUDYKMY-GXTWGEPZSA-N 435.321 0.897 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1665750922 RQNBJGNZOQCORZ-UHFFFAOYSA-N 441.453 0.488 30 10 ICEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352256 GIEBOENVIQKZAH-CVDCTZTESA-N 441.532 0.574 30 10 ICEE C#CC[C@H](CCOC)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1687205958 JSOHBBQOHDDXBY-MOPGFXCFSA-N 430.553 0.980 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1690061065 QGKQFGQHFQMQAT-RPBSFSNWSA-N 428.493 0.916 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1705558561 BFXWIHPFISOFKD-INIZCTEOSA-N 433.538 0.308 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCN(C)C)CC1 1705768993 GDYONMQKZTXDNZ-KRWDZBQOSA-N 442.586 0.346 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1705844283 ZHUFMSZXAGABRO-HOTGVXAUSA-N 435.554 0.692 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1722433015 XHIYICCEPZCAKS-UHFFFAOYSA-N 449.515 0.934 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722703762 GXTJUDFTOZEHNW-QFIPXVFZSA-N 448.568 0.973 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CCN1CCOCC1 1722726585 GUWBBIDDGWSBBB-KRWDZBQOSA-N 427.571 0.889 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)CC 1740552630 OORLVMFJNUFZRZ-MRXNPFEDSA-N 446.581 0.849 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1740640859 XXTRFPJCTISJAP-GOSISDBHSA-N 429.502 0.803 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740782822 RXSQDUPIOWALSJ-IAGOWNOFSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1740951328 VCVQDTLUUWMTLY-UHFFFAOYSA-N 427.513 0.589 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2COCCO2)C1 1740972371 HJZAUFPVFWUFKJ-OAGGEKHMSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1740993623 AZZRCAKYSHAIRG-UHFFFAOYSA-N 438.575 0.899 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1748847964 ZMGYAJCVXDGBCX-RTBURBONSA-N 433.578 0.754 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1748989554 NDEXOKNCMZLNFS-IPMKNSEASA-N 435.594 0.997 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749650885 IVCQJXRWNCMVMC-INIZCTEOSA-N 440.508 0.580 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC=C)CC1 1760269404 HKPWADKNDIJRNT-QGZVFWFLSA-N 435.550 0.349 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760526577 CJMMWXHATIBRTJ-INIZCTEOSA-N 431.541 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760530255 MKCQTINYFRBBJT-JLMWRMLUSA-N 448.568 0.605 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1766869797 AHRGXDWSLCGYIT-SFHVURJKSA-N 437.504 0.733 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1766944556 JRMMGYPWALHAKI-DLBZAZTESA-N 443.533 0.423 30 10 ICEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1770703548 NZXSMSHBDCTHKC-KRWDZBQOSA-N 437.504 0.636 30 10 ICEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(CCO)CCO)cc1=O 1870559513 FIMSFNLTATXLMZ-UHFFFAOYSA-N 430.501 0.907 30 10 ICEE CC#CCN(CC(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2300544142 KXHKOIBFMBPAIQ-VYDXJSESSA-N 441.525 0.704 30 10 ICEE CCC[C@@H]1O[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)C([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)=CC3=O 257575199 VUCLOMKZKFWQMS-UIPVHDFPSA-N 434.441 0.302 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4nccn(C)c4=O)CC3)ccc2c1=O 744679011 MBUHKHWZZOKDNY-UHFFFAOYSA-N 438.513 0.927 30 10 ICEE Cn1cc(C#N)cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 751393620 SLBWRPPTHVORGW-UHFFFAOYSA-N 437.522 0.604 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CCOC2)C1=O 751688774 KJRNMXKJECPEFG-HOTGVXAUSA-N 433.534 0.574 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 916178452 XNASRQPWLWDYGN-UHFFFAOYSA-N 438.465 0.576 30 10 ICEE CN[C@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)[C@@H](OC(C)=O)[C@@H](C)CC=O)C(C)C 1083140866 VISBGPYNPJUPAI-VRCPBSEVSA-N 441.569 0.944 30 10 ICEE COC(=O)[C@@]1(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CCOC1 1167321910 UDUVDWCLPHWRHZ-LJQANCHMSA-N 439.465 0.213 30 10 ICEE CS(=O)(=O)C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1198231285 VBUVUQMPECGYAG-RTBURBONSA-N 438.525 0.280 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCN(C)C1 1286286138 UHGRCIKKERRGQP-QRWLVFNGSA-N 431.566 0.763 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cn(C2COC2)nn1)[C@H]1CCS(=O)(=O)C1 1286386290 YBEIMKHOTXLAIK-HNNXBMFYSA-N 433.538 0.413 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1286461657 VHGJHYGMQBSWEZ-UHFFFAOYSA-N 425.555 0.813 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC(=O)N2)CC1 1286486923 RNGPFPXCEQLMOF-QGZVFWFLSA-N 443.552 0.441 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1286789597 GAQRSHHNAMJYHP-UHFFFAOYSA-N 437.508 0.098 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1286789840 IDWACUVFNSSTIB-UHFFFAOYSA-N 444.540 0.173 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C[C@H]1O 1299413820 TUMXPEDYOOPBRM-QZTJIDSGSA-N 440.504 0.949 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300500699 CCFJBRVFEZZWFK-GOSISDBHSA-N 439.545 0.867 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1300578965 QWIZZTYDJWDSLY-LVCYWYKZSA-N 449.577 0.625 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301518053 DCQBEOTVERXKSZ-AUSJPIAWSA-N 435.481 0.735 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCOCCS(C)(=O)=O)C1 1303940173 UWUMOFKDLYXHHP-LJQANCHMSA-N 438.554 0.592 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359009931 BZAOJXXHFMULFY-DCOQFNDQSA-N 432.506 0.166 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)NC(C)C 1359064751 ZDXYTBHTCDTBLV-RHSMWYFYSA-N 446.599 0.208 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359300611 GPTYIJNDGYOOKH-QGZVFWFLSA-N 433.557 0.075 30 10 ICEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467708078 VADYQOHNEVQTMF-QGZVFWFLSA-N 427.505 0.585 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1503373793 FCRVLYUHFQLMBS-OAHLLOKOSA-N 425.449 0.458 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1507538811 OXRSAJITBCJQRX-ZBFHGGJFSA-N 434.522 0.521 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508092962 AAQOEQZJKCAPIM-KRWDZBQOSA-N 445.568 0.691 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539053174 LVYMRJPNNSNFGA-HNNXBMFYSA-N 448.553 0.279 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539066466 WAWZPZCAQHWMIO-RDJZCZTQSA-N 427.509 0.799 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1539215429 BUEANLNYSLZXHD-LPHOPBHVSA-N 436.538 0.093 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H]1c1cnn(C)c1 1539378990 IHGQIEWKGAJPKR-UAFMIMERSA-N 440.479 0.458 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1595777240 KMUFGAQRJOHGRJ-UHFFFAOYSA-N 435.531 0.652 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1618842033 GEKQZQULOCQMFO-JKSUJKDBSA-N 429.506 0.081 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)CC1 1671159030 KLAPGUODBAHUHS-UHFFFAOYSA-N 447.558 0.392 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)C1 1684083319 SISWIYLEAJBIIP-MRXNPFEDSA-N 430.534 0.676 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC)CC1 1690137729 HOVQJNIRFHDNGY-OAQYLSRUSA-N 432.525 0.032 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690154017 HFSQXVJZNJUIDB-QGZVFWFLSA-N 449.577 0.920 30 10 ICEE CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694688469 WGYYXKFHZMHWRZ-MRCUWXFGSA-N 443.552 0.916 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565765 VXZSBMFYNQDIMV-QZTJIDSGSA-N 446.577 0.631 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705898144 BUEHJDOLZJINIX-CQSZACIVSA-N 430.900 0.852 30 10 ICEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1708819031 WUNLGBOGGSCQKC-KRWDZBQOSA-N 437.504 0.515 30 10 ICEE CS(=O)(=O)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712694448 QGYOKZZQHLCPKX-VHEBQXMUSA-N 448.549 0.770 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O 1722345531 GLPBFBQXFQRCNB-FQEVSTJZSA-N 430.534 0.743 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722368558 RXSKVDQSTANBDT-HUUCEWRRSA-N 447.521 0.180 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)OC(C)(C)C)CC1 1722441347 PVKZJEVKZIJANL-UHFFFAOYSA-N 431.541 0.680 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1722476028 XCPXMRDLNXOJPJ-IIDMSEBBSA-N 426.564 0.607 30 10 ICEE CCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1728101587 JZSCWALWWDSMQJ-OHTQGHCMSA-N 436.538 0.943 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740963152 AVXHJPQPGLUXLD-STQMWFEESA-N 446.489 0.686 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740963563 ONQHUUCYHOMNOJ-QGZVFWFLSA-N 439.520 0.990 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1748891715 DWFFYILIBAZFRQ-QZTJIDSGSA-N 449.577 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749732243 TZXKQKZWJKIZNP-INIZCTEOSA-N 443.595 0.761 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760186144 AXYPSIAPVVZMGU-DLBZAZTESA-N 437.566 0.715 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760190462 QUUFOTLPOLGGBM-RBUKOAKNSA-N 445.545 0.696 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760357711 MFEIEDDWJSKXRA-IXDOHACOSA-N 443.570 0.411 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760523314 SZWRSDIOVOURES-MRXNPFEDSA-N 439.524 0.620 30 10 ICEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1766870723 FXDSHSRUVGKBMJ-UHFFFAOYSA-N 436.520 0.306 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(Cl)cc3F)C(=O)C2)C1 1856835110 KMDGXHQDXVRPKL-ZDUSSCGKSA-N 428.873 0.691 30 10 ICEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1962821818 BJDNTAFXCOXKEV-ROUUACIJSA-N 427.505 0.958 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247954085 YBKJXNSPJHSDTH-VXGBXAGGSA-N 442.347 0.663 30 10 ICEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255824446 IGCSKNOBFIWTDX-KGLIPLIRSA-N 436.318 0.429 30 10 ICEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)n1 2255826877 DXNVCKWNJBZFMP-UONOGXRCSA-N 436.318 0.429 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCN1Cc1ccccc1 2255931565 NHJKWTZTGIZEEE-INIZCTEOSA-N 447.370 0.667 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286014908 CAEGUFUJXQSCTG-MSOLQXFVSA-N 437.518 0.471 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461658275 DOJSZMBAQBKUBW-DLBZAZTESA-N 443.570 0.819 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 477873995 DVTJZBDIKRWZTB-UHFFFAOYSA-N 447.561 0.553 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 546029956 XWBVFXHWFTXHEJ-ZDUSSCGKSA-N 440.547 0.298 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2Cc2ccccc2)CC1 549157506 ZRIGCMFXPDSXPK-LJQANCHMSA-N 426.521 0.839 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758059805 ULVIOJVVSATPGG-UHFFFAOYSA-N 439.493 0.350 30 10 ICEE COc1ccc2[nH]c3c(c2c1)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC3 782227014 FLPYWQIMTONELP-UHFFFAOYSA-N 431.474 0.397 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1286294916 GUMIDWPGAVSQMY-HZMVEIRTSA-N 425.555 0.620 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286540429 BCNZNMUGDMDTED-NWDGAFQWSA-N 445.343 0.303 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1286793874 OLLAFEOUGNOWTO-GOSISDBHSA-N 446.474 0.917 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286814316 PJXYSNYACCZIOO-INIZCTEOSA-N 435.554 0.194 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCOCC1 1293112953 ARRBCEOUUQQFDA-MRXNPFEDSA-N 439.524 0.466 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1298541643 KXLIAIDFZRBHBE-PVAVHDDUSA-N 425.507 0.430 30 10 ICEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302218822 XVOMUDNNRQEJAR-UHFFFAOYSA-N 429.481 0.614 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1359099215 LFQFOVUDROKDTM-JYJNAYRXSA-N 444.579 0.396 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 1455114445 DNMDDHFSFPYRLS-UHFFFAOYSA-N 449.258 0.722 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)CC1 1507732251 UJFYZZPXLDLQNU-HNNXBMFYSA-N 433.538 0.124 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCOC2)CC1 1507734538 YWITYXDJHBNPFK-QGZVFWFLSA-N 428.537 0.907 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1508144653 RKUQZIPCVUBOMU-UHFFFAOYSA-N 425.536 0.100 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1508144697 SBQFKTLLQURMSY-CYBMUJFWSA-N 438.579 0.902 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CC1 1517607472 BQFXWTNKRRSDCU-UHFFFAOYSA-N 426.525 0.856 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540871585 OZJMKSRWYJKTIG-HZPDHXFCSA-N 442.524 0.482 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1540872496 RDIFUOZVQUEZHL-UHFFFAOYSA-N 432.550 0.962 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1557987900 KNGMLSYYZDBFKT-ZFWWWQNUSA-N 429.882 0.379 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1561667733 DBHPTBJVPNYADC-UHFFFAOYSA-N 425.308 0.376 30 10 ICEE C#CCN(CC(=O)N[C@H](C(=O)NCCN1CCOCC1)[C@H](C)CC)C(=O)OC(C)(C)C 1565583877 BROYEENGFIMYNK-MJGOQNOKSA-N 438.569 0.836 30 10 ICEE C#CCN(CC(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)CC)C(=O)OC(C)(C)C 1565583878 BROYEENGFIMYNK-PKOBYXMFSA-N 438.569 0.836 30 10 ICEE NC(=O)COc1cccc2c1CCCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1583295854 OIMZDXFCANSIDC-UHFFFAOYSA-N 428.470 0.569 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(=O)(=O)CC)CC1 1594237739 USSZOBJUQGHPMW-INIZCTEOSA-N 445.611 0.912 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595544766 LBOWGKRWPGJNLU-SFHVURJKSA-N 445.568 0.566 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)s1 1635006135 JXMRFVJZIJEAES-MRXNPFEDSA-N 440.591 0.566 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1645168888 RJVZNNAFGZCBEA-LVJNFOORSA-N 427.523 0.701 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(S(N)(=O)=O)CC3)C2)C1 1651012661 QFOLCSUSCISWMM-TXKKKEFDSA-N 427.527 0.121 30 10 ICEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1654553099 KXUSAIOPOZYFDD-KRWDZBQOSA-N 436.534 0.605 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CSC1 1655021810 YEXVVYWJWIJSGS-UHFFFAOYSA-N 435.571 0.773 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689980081 LIADINNHOQWOKH-LSDHHAIUSA-N 435.472 0.476 30 10 ICEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)CC 1690077453 OZJPZYMDGHFGHQ-UHFFFAOYSA-N 446.581 0.851 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1690508247 DPGMGZMLNRMUKO-OAHLLOKOSA-N 439.538 0.852 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1692773988 FMWYDPLXQODMPS-GMBSWORKSA-N 438.554 0.966 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1696654829 VKFRIIFFLODHGN-UHFFFAOYSA-N 427.465 0.208 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCOC1 1705595561 XIKFSOABFAHJMU-NRFANRHFSA-N 442.545 0.853 30 10 ICEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1710310571 VSYUUULHCVZSPC-CYBMUJFWSA-N 429.481 0.897 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1712884007 DRLJKXBZZHDLCF-SJLPKXTDSA-N 426.477 0.813 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1722450712 BXUOMMMGZHHLTA-CQSZACIVSA-N 428.584 0.313 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)C 1722517759 NNYBIDNEOAHVAQ-INIZCTEOSA-N 442.586 0.786 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1731180715 CLRBEVHCRJIFFO-WOSRLPQWSA-N 431.515 0.057 30 10 ICEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1740672779 UNURCIMEMTULCO-HXUWFJFHSA-N 428.518 0.526 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740887307 FYEGRDICEZBTND-SJLPKXTDSA-N 434.566 0.949 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740989329 JODJIEVJTOMNBD-HNNXBMFYSA-N 446.533 0.768 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC2CC2)CC1 1749016393 CUZGFLIGRZHQSU-UHFFFAOYSA-N 435.532 0.756 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1749651383 UNYMTINSGOJQCQ-CQSZACIVSA-N 436.480 0.698 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1760096290 JDPFBXTUUBOGHB-LSDHHAIUSA-N 431.522 0.807 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760189264 GZFAAUZWBSFVLJ-GOSISDBHSA-N 425.518 0.672 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2occc2C)CC1 1760265946 MOXKLTYBWXPOLD-OAHLLOKOSA-N 448.549 0.804 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760280506 GBMUUWRGPRPVHM-JKSUJKDBSA-N 425.580 0.652 30 10 ICEE CC1(C)OB(c2ccc(N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)nc2)OC1(C)C 2232256131 YPEWEHGCTLYLKZ-DGCLKSJQSA-N 442.247 0.740 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(S(N)(=O)=O)C3)cc2Cl)OC1(C)C 2282828233 KTRKOBOPTUITCG-UHFFFAOYSA-N 442.777 0.362 30 10 ICEE C#CC(CO)(CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 2290366191 MKURKBUQUZIJAR-UHFFFAOYSA-N 428.102 0.429 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508803850 ZMUOIHOVKBENHG-KBPBESRZSA-N 438.558 0.903 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(C)C 537396111 XFOMYEOQASSTFZ-UHFFFAOYSA-N 444.557 0.934 30 10 ICEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)n1cnc(C#N)n1 540604051 WRXJETIWGDHNLB-NSHDSACASA-N 432.491 0.249 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 544659986 AUEVTZUDLMJPIZ-UHFFFAOYSA-N 444.351 0.993 30 10 ICEE CC(C)CN(C(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 603934711 HGFDUOUGQSWITR-INIZCTEOSA-N 427.548 0.850 30 10 ICEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)cn1 727417035 CNSMDCWHFIUKOT-UHFFFAOYSA-N 438.465 0.257 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cn1 732565285 ZWVPOBKVMVJGHF-UHFFFAOYSA-N 437.481 0.006 30 10 ICEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1C(=O)N1CCOCC1 732705729 FLFYTCRGVUGUJZ-QGZVFWFLSA-N 425.489 0.605 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 735068403 IMHRHWQGTFVQSJ-UHFFFAOYSA-N 429.546 0.723 30 10 ICEE C=CCOCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 780895054 OQVBJMGREDUXQN-UHFFFAOYSA-N 432.543 0.465 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCN2CCNC(=O)C2)C1=O 781102226 FWPSGPGZGWXNLK-KRWDZBQOSA-N 446.577 0.118 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 800668604 VUBSLPXOCBSBQT-DZGCQCFKSA-N 442.563 0.339 30 10 ICEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 856697644 YPSLPZBXCNGAPD-FQEVSTJZSA-N 447.517 0.657 30 10 ICEE CCS(=O)(=O)c1ccccc1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133596707 WIGJKNGYQHSOEA-UHFFFAOYSA-N 435.527 0.878 30 10 ICEE N#Cc1cn(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c(=O)nc1O 1138042221 BQKDRCHBEOEAHY-AWEZNQCLSA-N 432.234 0.283 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)CC1 1144026975 MRIGYHZAUOTATN-GDBMZVCRSA-N 428.480 0.676 30 10 ICEE CS(=O)(=O)NC[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1175955403 LLXQLXWJPIUPEY-CVEARBPZSA-N 425.580 0.328 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1286404808 UWFGXQWZUFLNDK-UHFFFAOYSA-N 428.514 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 1286486490 MVZUFTYGRLDOKT-ZBFHGGJFSA-N 438.554 0.033 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1300689174 RGYXFOZNTCUMQM-UHFFFAOYSA-N 438.532 0.991 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CCCO 1301297366 PNILCDLYALHJSB-IAGOWNOFSA-N 442.586 0.080 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1303512648 LYBCAVKYCJSNLU-JWBFORJRSA-N 435.502 0.842 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1303805283 DCGKOFIFNFDZAE-CHWSQXEVSA-N 432.572 0.451 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1358983444 IRCLCXVIJLBVIW-CBGDNZLLSA-N 434.562 0.819 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1503837574 OHRSQXNJPVYIPT-LJQANCHMSA-N 445.505 0.397 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1508094424 NKXAOBAODSEAMJ-HNNXBMFYSA-N 441.492 0.382 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC)C1 1508142388 CUTKQDCFMJWURW-QGZVFWFLSA-N 438.554 0.592 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1517329319 ISDKPJVVGZNDAK-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1539211904 QAERVQRZHOZWLX-YWZLYKJASA-N 428.518 0.445 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cc[nH]n1 1539378208 UQWHQADWYIGUFK-UHFFFAOYSA-N 426.506 0.882 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1540868085 REZXDFFRXCJMMR-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1565143867 UYTBWIUGNYKAFC-ZJOUEHCJSA-N 431.562 0.382 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1585660502 MOUWNVFKCIWXOB-HEHGZKQESA-N 429.545 0.298 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1595536480 BLFVBVQWXCKEAK-LJQANCHMSA-N 431.585 0.689 30 10 ICEE N#C[C@@]12CN(C(=O)c3cnc(I)c(O)c3)C[C@H]1CS(=O)(=O)C2 1597371217 AOAMJBSSBJZMJG-ZANVPECISA-N 433.227 0.402 30 10 ICEE O=[N+]([O-])c1ccc(O)c(/C=N/NC2=N[C@@H](Nc3ccccc3)N[C@@H](N3CCOCC3)N2)c1 1616176071 BPKKQCXCPWLQPR-PDQMUUICSA-N 440.464 0.784 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NC[C@H]2CCCN(CC#N)C2)C1 1638389881 GABFACKXWVKETP-JXXFODFXSA-N 440.566 0.620 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1644285372 NQZYIRUFGHYFAZ-MRXNPFEDSA-N 444.554 0.014 30 10 ICEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343468 LDXQROAEOSTWQL-SUNYJGFJSA-N 440.547 0.134 30 10 ICEE CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1660715160 ATXHKEMMKITIOM-GFCCVEGCSA-N 436.303 0.773 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NCc2c(I)cnn2C)CC1 1675489894 QSOAWRSHBKCJHA-UHFFFAOYSA-N 429.262 0.696 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689994344 WNWPZMMSVDGAPZ-MRXNPFEDSA-N 435.550 0.139 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705631516 HWQXFOZBSFBKIN-HXUWFJFHSA-N 443.596 0.626 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC[C@H]1C 1712563582 ZLLTWQOUEPWVEQ-QWFCFKBJSA-N 447.584 0.899 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1722421805 NDMWBSGSSVPFRQ-HNNXBMFYSA-N 440.570 0.233 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)N2CCSCC2)CC1 1722431233 IBGSKMGJIVGRME-QGZVFWFLSA-N 440.639 0.925 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C)s2)CC1 1722449814 PSHKEAYBZHXYFD-UHFFFAOYSA-N 442.549 0.575 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740585059 UUBCHQQSLQKBTK-UHFFFAOYSA-N 448.535 0.592 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740888439 SARNNYKYTDCYGG-HZPDHXFCSA-N 438.554 0.329 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740951084 PNSCCGJYXCOVFH-SJORKVTESA-N 434.541 0.883 30 10 ICEE CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745872923 ILFJURIQVKIYJV-UHFFFAOYSA-N 438.492 0.527 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(CC)C(C)C)CC1 1748977216 FIQWYJXCOOZGGI-QGZVFWFLSA-N 425.603 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749004910 PZXOPQWSMSIMBP-INIZCTEOSA-N 436.582 0.649 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749650162 LTVVMXIDOUXVTA-INIZCTEOSA-N 434.541 0.740 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749663741 PCAOJIRRVJEWSI-INIZCTEOSA-N 426.525 0.727 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1749668912 GKJWYVZAOHOWOC-HZPDHXFCSA-N 438.554 0.150 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1760218219 ATURZLPRJAEGRO-INIZCTEOSA-N 438.575 0.468 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1760310444 FOBKJPLCQYJQFT-UHFFFAOYSA-N 448.325 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760523968 MEKMZWOZNJGEFH-DLBZAZTESA-N 432.525 0.302 30 10 ICEE CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1767843507 BSODVQIZLHECDW-UHFFFAOYSA-N 435.558 0.191 30 10 ICEE C=CC1(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 1993251772 UAZALZRGZCIVCM-RDBSUJKOSA-N 427.498 0.619 30 10 ICEE C=C(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(=O)N1CCC[C@@H]1C=O 199339906 IITUVPKVNFWTCD-LMCOJAPRSA-N 428.533 0.702 30 10 ICEE CC(C)c1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 483578933 WVXKEAJMUKXLFT-UHFFFAOYSA-N 442.501 0.943 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(F)c1 586859798 JIROFPVCGRUEFK-UHFFFAOYSA-N 448.451 0.986 30 10 ICEE CCc1c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 611082003 XRRYTSINFFTVNI-UHFFFAOYSA-N 447.499 0.860 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1 733150279 GKCFZEDSOBPCDA-UHFFFAOYSA-N 434.562 0.208 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(-c3nnc(CCOC)o3)c2)CC1 778705293 YNPBBKUEOCKINC-UHFFFAOYSA-N 425.489 0.823 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCN(O)C1=O)n2C 816694735 MLVMNWMKMPJOFW-CQSZACIVSA-N 437.522 0.643 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2nccn2C)CC1 1252585231 OMJRYJQKMAXXMO-SFHVURJKSA-N 430.534 0.499 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286396228 WFTOZFNANOYELC-WIYYLYMNSA-N 447.561 0.678 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1286508209 GRLZXZWPWAVVPT-YJBOKZPZSA-N 426.564 0.542 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1286558063 ZNZMTZIKIUQLHJ-OAGGEKHMSA-N 428.580 0.730 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286823512 VQQIJXGBRNCFJE-MRXNPFEDSA-N 439.563 0.488 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1286878372 VKXOPUWUVZZSEV-AOMYARPXSA-N 438.492 0.857 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301508755 TXYOBKCELMQCTI-UHFFFAOYSA-N 438.579 0.751 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302496449 NFQRKYUABLLKMZ-LJQANCHMSA-N 429.506 0.082 30 10 ICEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1306488392 YTQIFULLKOOHQS-CWIOURORSA-N 435.488 0.842 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359100207 YNBXIERIHANBGI-NUJGCVRESA-N 430.553 0.995 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359293882 CJFUUWSZEBKXEN-AWEZNQCLSA-N 446.533 0.318 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 1463595209 DOUZPRBNLKWJNK-UHFFFAOYSA-N 426.296 0.642 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)CC1 1479523958 FYMDPOJZYNMYEH-NGEICVOHSA-N 439.534 0.056 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1507641343 CSBZVNBPCVYWQB-QIEZACGCSA-N 438.488 0.529 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507731163 CBGOGHQSLIHEAT-ZWKOTPCHSA-N 436.582 0.209 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1508097669 JKRDVVKVRQUCRB-VQTJNVASSA-N 434.497 0.263 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1508153228 WZKHLVJPJMDGID-AWEZNQCLSA-N 430.600 0.866 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1539215954 LVXYKXIPGTZRRA-MRXNPFEDSA-N 430.534 0.754 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1539416715 SHYQGJFLEXOXBQ-UHFFFAOYSA-N 447.565 0.583 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539513449 PBZCGSRNSCBQTH-UHFFFAOYSA-N 442.593 0.789 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1540904593 NVNXXKFQRYOJPE-AWEZNQCLSA-N 432.568 0.396 30 10 ICEE N#CC1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1563966725 FWJIVDQQUHTSJW-QGZVFWFLSA-N 429.525 0.902 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588924209 XKFGLMUJVRJIHA-PKOBYXMFSA-N 441.536 0.696 30 10 ICEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1OC 1619368250 FSOLRWLIFVJRLO-JKSUJKDBSA-N 447.517 0.974 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1623669299 NQODJVVBENROHI-QGZVFWFLSA-N 449.920 0.595 30 10 ICEE C=CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nn1 1630445808 OGRAIIBYXCLIJN-KBMXLJTQSA-N 439.538 0.751 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(O)(c2ncnn2C)C1 1643708587 FZSIUPRALGQIDB-UHFFFAOYSA-N 436.266 0.957 30 10 ICEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 1654149232 ZPFBUNRNAQYHIG-MGPUTAFESA-N 430.530 0.918 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 1686231350 KBCYQGBTLMOVAQ-LJQANCHMSA-N 447.561 0.015 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[S@](=O)CC)CC1 1690150704 QWOJWKBCLWVRGF-SSEXGKCCSA-N 428.562 0.998 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690669218 YFOCSIURKUZGSE-UHFFFAOYSA-N 448.553 0.288 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705532171 HRLPJVSMXPROIL-KRWDZBQOSA-N 447.565 0.997 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705534981 XKEDZXGTBIFCBI-CVEARBPZSA-N 439.538 0.414 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC1 1740706498 ZGAAYDABDPXUFZ-WMZOPIPTSA-N 449.577 0.573 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cn[nH]c1 1741675799 MYJCXUMJRKWGLV-UHFFFAOYSA-N 434.508 0.975 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1741905755 MHUDDDONSVRMPI-XJKSGUPXSA-N 431.522 0.675 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(N)=O)CCOCC2)CC1 1748971673 YOIXFRGOXBNONR-UHFFFAOYSA-N 445.568 0.234 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN(C)S(=O)(=O)CC)CC1 1749010597 SYOSHYHFQSFUOE-UHFFFAOYSA-N 436.582 0.793 30 10 ICEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749616369 DBHOIQCNWBROKK-YNFBMLRVSA-N 448.568 0.966 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1750048519 OIBKYUQZPNTXCM-UHFFFAOYSA-N 432.506 0.490 30 10 ICEE CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1750531334 BEQXHVOCDPFDTO-OAHLLOKOSA-N 426.543 0.512 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1760195053 VUJDCEJUFWHXEK-MRXNPFEDSA-N 442.545 0.711 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760248275 GXICDMIPUZDGCC-OAHLLOKOSA-N 448.524 0.609 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1760528336 ZMMWSUWLBMBMAJ-UHFFFAOYSA-N 449.533 0.793 30 10 ICEE CCc1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763017422 NUCIXGPBRMEALK-PIOKWQJESA-N 434.522 0.382 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1770726965 BNWVUZPFPOILPV-SUMWQHHRSA-N 426.474 0.464 30 10 ICEE CC(=O)NCc1nnc(SCCCO)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874435008 IZMDERLVNOLGOG-DJKKODMXSA-N 436.450 0.950 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243701873 IKGVGBUUHZSWGN-JTQLQIEISA-N 428.320 0.331 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 460808904 KIRNEHMDMJWRPM-HUUCEWRRSA-N 449.599 0.447 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CCN(C)CC1 543657802 LBCQZNCVPJXYGJ-UHFFFAOYSA-N 441.513 0.642 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 555253126 YIXBZRIWDFLXGG-MRXNPFEDSA-N 440.570 0.492 30 10 ICEE Cc1oc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C#N)c1C 603491519 DPNIZMMFXPUGBK-CQSZACIVSA-N 425.511 0.290 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1 604162635 SDEGAEJFBSPFHI-NRFANRHFSA-N 429.565 0.998 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 613314520 LICZBTBMCDPKAU-UHFFFAOYSA-N 433.597 0.594 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 613512737 RPRSCMHCEYNFSH-UHFFFAOYSA-N 441.576 0.186 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 642720666 KJSDUCRBCYQVIA-AWEZNQCLSA-N 438.558 0.868 30 10 ICEE C=CCn1c(CCc2ccccc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 669812106 CKTGIHPUYUQOLG-UHFFFAOYSA-N 446.577 0.948 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 730098190 UXNLBUYADHRKAQ-OTWHNJEPSA-N 445.541 0.832 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732706739 NGTFSLBHWKUYAM-GOSISDBHSA-N 445.545 0.998 30 10 ICEE CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 735200863 NJQOIBDEKKIFLU-SFCSZEEOSA-N 428.536 0.323 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 761253348 KQNRTSWMAXVLBE-OAHLLOKOSA-N 426.516 0.855 30 10 ICEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 771552404 HBNIQUSCMOBHDV-OAHLLOKOSA-N 443.489 0.782 30 10 ICEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 780394075 QDAPSWCJEDMJHJ-QGZVFWFLSA-N 437.543 0.251 30 10 ICEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 808465535 VPNAQRZDYRTCLL-KRWDZBQOSA-N 432.502 0.699 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1286477252 UEPDHLKLEFUJHH-UHFFFAOYSA-N 431.566 0.767 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1286792074 LNZKPGBMFVBKAK-UHFFFAOYSA-N 435.488 0.842 30 10 ICEE CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294613723 QBIWJBFQPMFGCB-MRXNPFEDSA-N 447.521 0.556 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1297760334 PTLWKMZONQZLLT-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1300671485 JSIZCQXQMVQPDK-KUNJGFBQSA-N 428.580 0.567 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301496971 KYRYGPPARXZJDW-GFCCVEGCSA-N 438.414 0.542 30 10 ICEE CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1313551522 CUNHHEGIAZNNTH-KRWDZBQOSA-N 436.520 0.906 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315816916 HEMBHJPSHZVNQK-HZPDHXFCSA-N 444.533 0.726 30 10 ICEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359081564 GMBJJPQEFMPGHJ-ZDUSSCGKSA-N 446.309 0.704 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)c1ccccc1 1360247743 FQIBZSHYNAGWNB-OAHLLOKOSA-N 432.506 0.619 30 10 ICEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)n1 1464710745 AZIZLLSBODHUCM-JTQLQIEISA-N 443.580 0.654 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)CC1 1478461847 RGKVSHNCACGGAV-JKSUJKDBSA-N 429.543 0.038 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508080645 QFQCDZLHFJNXEF-FUHWJXTLSA-N 428.541 0.528 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1517021667 FJFSYCWOVSNBNP-HXUWFJFHSA-N 446.533 0.704 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1539284877 CQSDJUMNIQFEKK-QFIPXVFZSA-N 437.525 0.973 30 10 ICEE C=CCCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OC 1558381935 NMUGDQGJKDNECR-INIZCTEOSA-N 425.507 0.798 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1588065082 SYGXSQNDNYAEQI-OAHLLOKOSA-N 431.547 0.734 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1595529807 ILHPHWDYKFRTJZ-INIZCTEOSA-N 426.525 0.723 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)C1 1595674832 VAHZXLCWRJASMJ-LUXYFRNMSA-N 429.543 0.210 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(CC(F)F)C3)CC2)cc1 1636266718 HLOGLPZASJKHQK-HNNXBMFYSA-N 427.477 0.914 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1638249409 QPUMWXAPMAPBTG-HOTGVXAUSA-N 442.335 0.165 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1705604751 SSCNATVFJIVMKV-INIZCTEOSA-N 447.565 0.628 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCSC2)CC1 1705647674 KTPPIGTVCFAFEF-QRWLVFNGSA-N 432.550 0.063 30 10 ICEE C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CCO1 1708209654 DCSFNPHONCHHLA-BBRMVZONSA-N 436.494 0.349 30 10 ICEE CN(CC1CCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1711139771 NLCBDJVGEBVVOD-UHHPSXQGSA-N 448.549 0.943 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1723637461 XEOYJUYPBKCIAZ-UHFFFAOYSA-N 435.492 0.989 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740787116 AQUFGJZWPBIWEF-RDJZCZTQSA-N 437.570 0.658 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1740960309 PCYAWDKPRMDDIE-QGZVFWFLSA-N 433.534 0.481 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(C)=O)CC1 1740993026 XGMPYVWNGFEPHZ-INIZCTEOSA-N 425.555 0.878 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1748791153 POFJRUFRADFUST-KRWDZBQOSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748824733 SGHDFXRXEGAUHA-BOSXTWCSSA-N 440.566 0.790 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1749000047 KZUUNXUFZKUROA-UHFFFAOYSA-N 448.549 0.170 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749017021 SVPXPQFDOUKBNK-SBUREZEXSA-N 438.532 0.770 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749669186 ICIZIMFELYPLGQ-SFHVURJKSA-N 447.584 0.465 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760188797 DDCPWZCQDFFPLX-SFHVURJKSA-N 425.518 0.856 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(C)(=O)=O)CC1 1760257975 CWYQWBXVNMGZKP-UHFFFAOYSA-N 439.545 0.798 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1760269811 PKLFHEWZGMCCDN-LJQANCHMSA-N 436.516 0.895 30 10 ICEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769727937 IDKWNYBOHPXUHY-CABCVRRESA-N 425.497 0.642 30 10 ICEE CN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1=O 1851828279 LNSXOXOQEPVJQE-LJQANCHMSA-N 426.498 0.748 30 10 ICEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874432431 FXIKOAGJPFGWCU-KPSZGOFPSA-N 435.422 0.053 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2320983054 FWFPBKLYFYESKA-UHFFFAOYSA-N 437.302 0.567 30 10 ICEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](N(C)S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409489790 BHWMWCIKWZWSTB-ZACQAIPSSA-N 448.615 0.445 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)c1 474475883 JTYZJNCMUFAYLM-UHFFFAOYSA-N 444.531 0.391 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)o1 480941873 ZFOIXNMNNDDUGJ-UHFFFAOYSA-N 445.541 0.710 30 10 ICEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508884800 JSIWNYWZMFBSLI-UHFFFAOYSA-N 436.538 0.541 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(N)=O 531884144 RCMLNHKBPYXQLO-UHFFFAOYSA-N 434.477 0.493 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 555164458 WOAMYODWPDJMAK-UHFFFAOYSA-N 440.547 0.519 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)c(F)c1 585704650 GNHXDPCJEIMNMY-UHFFFAOYSA-N 425.468 0.432 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CC(C)C)c2=O)cn1 735069295 SCKDGJBVDRUBKA-HNNXBMFYSA-N 431.562 0.826 30 10 ICEE COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1C#N 747446845 JTINNHLZXGTNGG-UHFFFAOYSA-N 430.486 0.981 30 10 ICEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766365482 GMUDYHJDTKAERC-UHFFFAOYSA-N 442.501 0.591 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CC#N)CC1 816290640 KDVJGPGRPIFPGE-INIZCTEOSA-N 431.518 0.868 30 10 ICEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1197701275 GNXSXTNTELLZSA-KRWDZBQOSA-N 433.530 0.636 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnn(C)n2)CC1 1286488989 ANWLALFYDVFZQP-UHFFFAOYSA-N 440.899 0.531 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793383 XCGHZFPTBYWAKH-DYESRHJHSA-N 434.541 0.726 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286823885 RDDUUGBMLJMVFR-DYVFJYSZSA-N 428.584 0.666 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCC(=O)NC2CC2)CC1 1300719497 DCSDVZAGBQTIRI-UHFFFAOYSA-N 436.520 0.760 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301239753 SYABZTFCPDXEAW-KBXCAEBGSA-N 442.542 0.512 30 10 ICEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315826156 OECSYVVEHDDWJJ-QGZVFWFLSA-N 442.499 0.978 30 10 ICEE COC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315905271 VONVEKXOMDMADA-DCOQFNDQSA-N 431.497 0.415 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O 1359296232 BHAZCEKLCVXBHW-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE C#CCN(C)CCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1478736294 ORSZSMXFNGWLLS-INIZCTEOSA-N 430.571 0.665 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 1479370529 YJGNIJJNAQBHDD-HZPDHXFCSA-N 443.570 0.284 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499637294 ATQRDQQDFYCLKZ-QFPXGYFVSA-N 443.508 0.656 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1539470455 QIYXTZGZPFBZRY-XMMPIXPASA-N 447.543 0.849 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539774967 HKABCSCGZGZVBQ-VXGBXAGGSA-N 440.979 0.159 30 10 ICEE C#CCN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1570283525 KNVXJBGKKQJSOW-AWEZNQCLSA-N 430.523 0.824 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1588233800 RCQCNRHZMWUEKV-INIZCTEOSA-N 448.574 0.887 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)s1 1631306366 WWXKNWOOJJTJPE-OCCSQVGLSA-N 444.531 0.708 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(CCCCC)c(=O)c3ccccc23)CC1 1636475266 ASULBBAQEKXYGF-UHFFFAOYSA-N 445.545 0.812 30 10 ICEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)n[nH]1 1648630883 BNBPZMGQXAOVJR-PMPSAXMXSA-N 429.550 0.945 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973430 MFSBPJXPYONFTM-OAHLLOKOSA-N 428.555 0.763 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1666566888 QIWVKEYECKDHBT-MRXNPFEDSA-N 448.588 0.327 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1671185801 NEIICHHEMIUDMY-INIZCTEOSA-N 438.550 0.677 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)cc3c(OC)ccnc23)CC1 1672879736 VAABZFWIBWMFFP-UHFFFAOYSA-N 433.490 0.869 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 1687210646 KEZWQQUOEKMURE-UHFFFAOYSA-N 425.486 0.741 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689989309 CYGYEGYKIBURMV-IRXDYDNUSA-N 437.566 0.714 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1693546415 FGSCITGJGIWPHO-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1705877746 CIMCINOQPLIKIJ-QGZVFWFLSA-N 442.549 0.987 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1722296567 RQWUPBHTWNXGRG-YVSFHVDLSA-N 425.555 0.884 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1722414317 ZHUOZWYNJNJCDT-KRWDZBQOSA-N 448.549 0.126 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740627468 HQHHOWWALUIWAR-HNNXBMFYSA-N 444.579 0.409 30 10 ICEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749752119 IUGYDDLSOONWRS-HNNXBMFYSA-N 427.534 0.715 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)n1 1751853374 FXECVJGJCRAWSV-SFHVURJKSA-N 428.541 0.979 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760190162 SMIBRSGZLVDCOA-INIZCTEOSA-N 433.538 0.220 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760227860 ONFCQNNXRKBGFB-APWZRJJASA-N 425.555 0.814 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760520627 UWQCPQMRQBSPAM-OAQYLSRUSA-N 438.492 0.457 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1761502910 UGESUPYFSPWJOD-SOUVJXGZSA-N 440.526 0.160 30 10 ICEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766590050 ULHKSYYIMVZIAN-MRXNPFEDSA-N 427.513 0.506 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1767483034 MPZUNPSSDCCAGG-UTKZUKDTSA-N 432.525 0.965 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1771281452 IKANVMHHFOKTFF-WDSOQIARSA-N 433.557 0.762 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(C)cc3)[C@H](C)C2=O)CC1=O 1857079567 ZVACKJUTDCUMEW-SJLPKXTDSA-N 433.530 0.919 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N[C@](C)(CO)C(=O)O)cc2Cl)OC1(C)C 2284402910 MNXOFZKESPPFKC-CQSZACIVSA-N 425.721 0.815 30 10 ICEE CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 96263138 KIZYVOKJSGCAHJ-KRWDZBQOSA-N 429.502 0.922 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 460558660 XRZRUEGXCQYOPW-INIZCTEOSA-N 436.586 0.910 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 460809314 MNMYGFRPQVHZOS-UONOGXRCSA-N 435.572 0.056 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@H]2CC(F)F)CC1 513420634 POONUKLRJNNSGD-MRXNPFEDSA-N 442.488 0.747 30 10 ICEE CCc1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cs1 518720473 RNEVYMNFYKYNOC-UHFFFAOYSA-N 446.598 0.989 30 10 ICEE CCn1c(O)nnc1C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 588963990 FXPKWHJETMLLEE-UHFFFAOYSA-N 428.497 0.700 30 10 ICEE C#CCN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)[C@H]1CCS(=O)(=O)C1 760838321 ZIYLNMNEBFRRRE-HNNXBMFYSA-N 432.481 0.740 30 10 ICEE CS(=O)(=O)N1CCN(CC(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CC1 778686820 HJQHRYSDIWEOPF-UHFFFAOYSA-N 449.573 0.381 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 916177925 FCUFOVDFDQRCNW-NRFANRHFSA-N 438.465 0.898 30 10 ICEE N[C@H]1CCCC[C@@H]1N/C(=N/CCCN1CCCC1=O)Nc1ccc(S(N)(=O)=O)cc1 1088685012 BMCGPUMIBUOAIU-ROUUACIJSA-N 436.582 0.974 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc(N3CCOCC3)nc2O)n1 1116844292 VVWDHGBHMCSNCP-UHFFFAOYSA-N 442.520 0.765 30 10 ICEE CS(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 1166227441 HTTBCPJHHBAFIU-GOSISDBHSA-N 432.477 0.800 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286389604 NECGUCKBBOHOBZ-IBGZPJMESA-N 434.610 0.810 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1286419588 BBDBVXHLFNMAGF-KUNJGFBQSA-N 425.580 0.652 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286774877 NDJBVBPQRIEOLU-CABCVRRESA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286788813 GWJVKSSHOUNWNN-KRWDZBQOSA-N 432.550 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1286820100 DWCIDMNUPBQDFJ-OAHLLOKOSA-N 447.583 0.058 30 10 ICEE CO[C@@H]1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C(=O)OCc2ccccc2)C1 1289436244 KGEFQFUDCRWKPW-TWFHAPMSSA-N 447.513 0.809 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1299138635 YKJPFKPEIBOBHT-IRXDYDNUSA-N 437.504 0.683 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300596820 XCSKVLVZNFEVDS-QYZOEREBSA-N 449.577 0.747 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301499170 ZAVPULDHMWQKTF-MRXNPFEDSA-N 435.492 0.125 30 10 ICEE CN(C)S(=O)(=O)c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Cl 1305589216 DVXDTPWPUQUJFH-UHFFFAOYSA-N 437.865 0.421 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)n1 1339474910 LRZABHLSVYZZES-SFHVURJKSA-N 448.549 0.468 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1358930539 XHBVTUPNCGVFAU-CVEARBPZSA-N 438.554 0.116 30 10 ICEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1359238160 BEECIHSTMHFOIE-IBGZPJMESA-N 430.490 0.766 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CC[C@@H]21 1359327346 YWVDHNFLLOTHLQ-ZNMIVQPWSA-N 431.584 0.868 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359341654 DCYOPNRWRUAGDI-GJZGRUSLSA-N 442.611 0.914 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)CC1 1443356737 KETQCTYLDQCGBQ-UHFFFAOYSA-N 446.552 0.695 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1443534796 HOVCAJCTDAGYAB-ITLYLWAISA-N 434.493 0.903 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1503376931 UKIBGDOPAVXVLK-UHFFFAOYSA-N 434.504 0.987 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507631864 GSZMNBQHQYUQLY-RKVPGOIHSA-N 426.564 0.277 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507716186 NQNBYFXTYKODLJ-LJQANCHMSA-N 431.585 0.528 30 10 ICEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1507849219 UXVDYLRCBZMCJK-HNNXBMFYSA-N 425.515 0.681 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1508141175 LOTJCBJFCBVEJQ-HOCLYGCPSA-N 433.538 0.557 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516841158 XLYXJNMHLHEVKZ-MRXNPFEDSA-N 445.553 0.241 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)CC1 1538824382 FGMTXWTYCKMPPR-UHFFFAOYSA-N 433.515 0.798 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC1CC1 1539162663 WFZQCJNUPVVLLO-UHFFFAOYSA-N 426.506 0.815 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC(C)CC2)CC1 1539452491 UGOQKGRDEZMSEY-LJQANCHMSA-N 434.610 0.667 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539636620 LKRFCGFETBXNCX-GHTZIAJQSA-N 432.569 0.803 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)C1 1540891840 AGKZXPAVIJVTKL-BBWFWOEESA-N 426.539 0.767 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)C1=O 1558306300 AZKRGRCVJOYTPE-LLVKDONJSA-N 436.266 0.922 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1587908988 ANHWNYAXQHOQCN-CYBMUJFWSA-N 435.497 0.789 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595812369 QZKOHOPPUYKOED-DLBZAZTESA-N 430.534 0.580 30 10 ICEE CC(C)Cc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603683506 SDZHBUHCEZEJGM-FMQUCBEESA-N 427.509 0.814 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1619623358 XLVQAMNDSJHNSE-IOASZLSFSA-N 434.469 0.037 30 10 ICEE C#CC[C@H](COC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1623658988 IBXWWSLHGARUBJ-OAHLLOKOSA-N 435.502 0.924 30 10 ICEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1624728720 SGOKLDPQSPJTHK-OAHLLOKOSA-N 429.502 0.575 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)n1 1684836508 MDXMVQSCXDZVKR-FQEVSTJZSA-N 432.569 0.471 30 10 ICEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689980937 ZSPCJHHIUMEQPD-QGZVFWFLSA-N 445.545 0.941 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1690175326 USQIACOJLWCOCV-INIZCTEOSA-N 427.596 0.315 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690672223 LSOPRMIWMGWQTP-OAHLLOKOSA-N 426.587 0.935 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1690955842 FXBTVGBZPAQJSS-SFHVURJKSA-N 435.492 0.827 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1692661628 FKGJVVDPQFLFBR-DOTOQJQBSA-N 433.538 0.987 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCS(C)(=O)=O)CC1 1705636973 FBTUZZZHIQDRSM-UHFFFAOYSA-N 445.545 0.906 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705930155 HDCRUFFDPMOCSN-UHFFFAOYSA-N 446.577 0.626 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1705937224 MZVDITQZNVREAY-UHFFFAOYSA-N 425.536 0.100 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1722367416 VWMOPCMKHMYEEQ-SFHVURJKSA-N 439.545 0.981 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722368615 SETZMJFQSVNLSV-FTRWYGJKSA-N 435.550 0.625 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722372256 SKMNJRUVCDNNKD-BZSNNMDCSA-N 449.577 0.842 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1722398355 WPAZYWKAJJOLAK-LJQANCHMSA-N 433.516 0.972 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC1 1722449377 QOCPIKVWZMFEED-UHFFFAOYSA-N 444.561 0.664 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1722690592 LSOHXMVOUYQXPP-UHFFFAOYSA-N 431.884 0.100 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722701906 AJDLYTBKKSJUSU-LNLFQRSKSA-N 434.541 0.609 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1723478038 GRGNSUWYUGUYTF-BBWFWOEESA-N 441.602 0.983 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740655624 DVKCMMMHIMLEGW-IBGZPJMESA-N 434.500 0.508 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1740985982 OSHIRNCUZFSMHN-OAHLLOKOSA-N 438.554 0.207 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749730367 BFHCMISTGSDTNF-UHFFFAOYSA-N 445.549 0.785 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1760225330 NIRVUIUEGSOSDX-MRXNPFEDSA-N 447.565 0.628 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)CC1 1760260748 AJKUWVOGCPFBBL-LJQANCHMSA-N 448.593 0.867 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1760270024 RXLUKQSLICCABC-INIZCTEOSA-N 435.550 0.325 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C[C@H]1O 1767920019 JUGGXDCWLGPJIP-YEZBQYDXSA-N 441.488 0.717 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCC(S(C)(=O)=O)CC3)C2=O)CC1=O 1857262379 KYIJYMIEGGWZFZ-RDJZCZTQSA-N 425.551 0.438 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403930 JBQLPMNOHOBSDS-QWRGUYRKSA-N 440.331 0.568 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628559 JJSRMGLOZKBWJA-KGLIPLIRSA-N 436.318 0.809 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccnc3ccccc13)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 2297638628 MXYYYAAHYYMFPZ-FVQSIRDASA-N 436.432 0.014 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2C1=O 16984462 DUTIXLBVDQYLRD-JSGCOSHPSA-N 434.470 0.659 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 479396159 OVLGGENSZMYPMV-OAHLLOKOSA-N 426.498 0.298 30 10 ICEE CS(=O)(=O)N1CCC[C@H](CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 484532044 OQRJKNKSJLSGOZ-QGZVFWFLSA-N 426.564 0.536 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)c1C#N 530362267 JSDUANDVZUZVLP-UHFFFAOYSA-N 437.504 0.724 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 615456168 FYCBIYMAWNNJEO-IBGZPJMESA-N 448.593 0.148 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@@H]2CCCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1141463995 WAQWPQPWARRGMX-XCLFUZPHSA-N 443.497 0.831 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1286409013 HSBNZZMBBBIFEJ-KRWDZBQOSA-N 435.550 0.643 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](COC)OC)CC1 1286484388 JSUCKJZIVYSCIR-MRXNPFEDSA-N 432.550 0.686 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccco2)CC1 1286490978 ZHUYWBZRMUPQJV-UHFFFAOYSA-N 448.487 0.724 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1298568998 DVZFHIRTKREKSZ-OTSFIGDKSA-N 429.481 0.228 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CC1 1311568328 BYJARWKOKIMMNR-LJQANCHMSA-N 449.577 0.627 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 1358890316 NTYGRUKAOIQBHW-BBWFWOEESA-N 441.554 0.265 30 10 ICEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358926569 UKNTXHXFMVNLAW-UHFFFAOYSA-N 425.537 0.678 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358930248 QUFMKWXOXPJLSG-DLBZAZTESA-N 448.593 0.383 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nnn(C)n2)CC1 1359042513 JKLRKPGHOSETEL-UHFFFAOYSA-N 435.492 0.491 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1359240360 MDVZULICISSHFS-HNNXBMFYSA-N 428.559 0.396 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359306235 ZPXSURYFSNMUTJ-HRAATJIYSA-N 429.525 0.960 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1464376108 BJBVYISQTGILKQ-NVXWUHKLSA-N 443.566 0.691 30 10 ICEE C#CCN1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1465280082 JGEZLOFDZRRSTN-FGTMMUONSA-N 439.578 0.824 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1479278453 AHODBVJSOBCHTN-UHFFFAOYSA-N 449.515 0.560 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507628031 MTYJDHNTRIOITD-CQSZACIVSA-N 426.520 0.518 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508098481 PNADOLPBBPEBRP-OAQYLSRUSA-N 434.541 0.713 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1508413245 GRXZSUPXQXEFQP-ZDUSSCGKSA-N 425.536 0.989 30 10 ICEE CC(C)N(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1510216419 BEUZKILYNBTFTP-HZPDHXFCSA-N 427.575 0.736 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539079556 VPTRPRMYEIGEQL-SFHVURJKSA-N 441.580 0.993 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539218999 AZSCXLYFYJBPJM-IAGOWNOFSA-N 438.550 0.688 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1539222341 VNJCICMDWDHGDK-RDJZCZTQSA-N 443.533 0.197 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1539399463 MITWEYWZDUJGQO-MRXNPFEDSA-N 431.518 0.713 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1539427894 JUYNZMNTKXEJTB-UHFFFAOYSA-N 437.548 0.774 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540908079 BQVYTYJGJOYRJK-QGZVFWFLSA-N 432.568 0.430 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1546579229 HUBARWQIEZZHLZ-XZOUCZQKSA-N 436.476 0.581 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)c1 1558577818 BJPFDYZHZKUSNX-OAQYLSRUSA-N 434.514 0.909 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1587975012 JRZRBDGKJJXFKW-UHFFFAOYSA-N 428.456 0.804 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1594236474 CRPCQBGCYUXXLX-MRXNPFEDSA-N 443.595 0.618 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595467157 QRPWYKFYLCOLFT-CVEARBPZSA-N 441.492 0.612 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1595522307 BPTGUWDYMATMIF-DLBZAZTESA-N 443.552 0.953 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1595529816 JAJAFYJDUCQKQB-HNNXBMFYSA-N 437.508 0.973 30 10 ICEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1623197185 DEMNNTBWOBXOSK-KBXCAEBGSA-N 428.468 0.598 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1634559030 FPGXEIXMAXYORW-GQIGUUNPSA-N 425.551 0.482 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1640652406 GLQVNHKQYXIKGJ-UHFFFAOYSA-N 426.520 0.129 30 10 ICEE CNC(=O)CN1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1648374424 BHTAVFWRNYCZBF-FQEVSTJZSA-N 430.528 0.288 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCS(=O)CC1 1698520380 JHFBHKYVNUXTKT-FBMGVBCBSA-N 427.490 0.435 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1722295518 LCNOKJUCZKATOV-KBXCAEBGSA-N 447.517 0.846 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722703819 ITNZKZHAKFRLTQ-YADHBBJMSA-N 448.568 0.533 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC2CC2)CC1 1740706903 HYLMJPMUUSFLDJ-UHFFFAOYSA-N 435.532 0.756 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740876697 LDSGWVRGVJXLTN-DOTOQJQBSA-N 440.570 0.634 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740986671 DINUMFBSQOLSSN-QLFBSQMISA-N 433.600 0.971 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC=CCO2)C1 1750212128 YTWCVAIQRIOOCJ-RLFYNMQTSA-N 440.501 0.398 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 1760517350 KJGLWBFOBQSWNX-QGZVFWFLSA-N 427.465 0.676 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNS(=O)(=O)CC 1764919025 AZKRMFYCNGCKLG-HNNXBMFYSA-N 447.569 0.547 30 10 ICEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1767806218 LKWAXIJMVBQAFQ-CABCVRRESA-N 449.512 0.451 30 10 ICEE CCn1cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652657 XUIOLJDQOWJDNH-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE C#CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 111046127 BNGQPGGMACOBEJ-SFHVURJKSA-N 435.521 0.799 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440378825 GUQIKOCANPCOMU-CZUORRHYSA-N 442.497 0.208 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC1 564485938 FJCXWVLEAJPDLJ-UHFFFAOYSA-N 444.941 0.916 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn3ccccc23)c1=O 729668993 HHFKLRWCNZRWHO-UHFFFAOYSA-N 435.509 0.518 30 10 ICEE CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 735198275 DYOSBWIHGGMPCS-BMNAETFISA-N 428.536 0.323 30 10 ICEE COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771581866 GBHRSRDEIQVGFA-LHSJRXKWSA-N 430.461 0.632 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1cnn(C)c1 776345478 FDWQMDBHPWZHQE-CFBLSMTOSA-N 432.481 0.971 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c(C(F)F)n1 812274005 QTNQGZPAJZTAFF-CYBMUJFWSA-N 449.483 0.542 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@@H](C)CC 1286447841 NTFVGGHNNUPSHQ-HOTGVXAUSA-N 440.570 0.375 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)CC1 1286480055 JWXVURPUXLVKSG-KRWDZBQOSA-N 438.598 0.802 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1286831450 GAHLJCGLNCHZPJ-CABCVRRESA-N 431.584 0.755 30 10 ICEE C#CC[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(=O)OC 1299179325 XLRHKMRBDHCRFH-NSHDSACASA-N 425.186 0.562 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300488581 FJXDLKPDGSVKGR-QGZVFWFLSA-N 426.502 0.580 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1CC1(O)CCS(=O)(=O)CC1 1300555980 AVJTXWXYEFKHFL-KRWDZBQOSA-N 438.550 0.405 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccn(C)n2)CC1 1300712382 QRVYILMAUYPBCO-UHFFFAOYSA-N 447.503 0.673 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300763031 MOARXNSLKKSYNE-GPMSIDNRSA-N 440.591 0.931 30 10 ICEE CC1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303976612 OVKPGDDAMRTRCP-VDMFXUGISA-N 429.481 0.371 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCOCC3)CS(=O)(=O)[C@@H]2C1 1444212564 ZXPKFVPUITYRNE-RBSFLKMASA-N 427.523 0.846 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)CC1 1449092766 YZKHNVWZFMOZNF-AWEZNQCLSA-N 433.306 0.769 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1507656745 JSTNGCQLDCLECQ-UHFFFAOYSA-N 430.534 0.152 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([S@@](C)=O)CC2)CC1 1507885288 WNOSGFUJHHOOOP-OHZJNBGDSA-N 443.595 0.679 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512497915 ACNIBSINDKKDIK-DNTCVELPSA-N 443.508 0.542 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCS(=O)(=O)CC(F)(F)F)C2=O)cc1 1531665847 OXMYXHFCHVEXMY-ZDUSSCGKSA-N 446.407 0.857 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1539224298 DYLPYWNVDSWDQT-IRXDYDNUSA-N 440.591 0.825 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)CC)CC1 1539489836 OVVQLZTXAYIYBF-MRXNPFEDSA-N 438.554 0.035 30 10 ICEE COCCOc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1569863535 SFCSDVREDXDMRS-CYBMUJFWSA-N 433.490 0.635 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)COCC)CC1 1588742862 VMHJYERCEXWJNY-MRXNPFEDSA-N 426.587 0.706 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1588913194 BNPXEXYWTLGAPK-KSFYIVLOSA-N 426.521 0.789 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1594236473 CRPCQBGCYUXXLX-INIZCTEOSA-N 443.595 0.618 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595543910 BJULHQGTGWAHLD-OAHLLOKOSA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1623869938 FJMJLNLFVBGIPJ-UHFFFAOYSA-N 431.536 0.652 30 10 ICEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1689906887 UUUBOSKMFXKVLU-LJQANCHMSA-N 425.555 0.815 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705639364 MMUAIKOEXPBEJZ-LJQANCHMSA-N 441.532 0.965 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722368222 PTOFNWYQZMHVEK-FUHWJXTLSA-N 432.550 0.775 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740623036 NFNQQFQZRZVGKJ-IAGOWNOFSA-N 431.518 0.691 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1740630098 DRXMQQYBTTVROC-QGZVFWFLSA-N 440.529 0.547 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1743199473 KUDGNCMXIMUMST-NXHAUGRDSA-N 438.492 0.477 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC)CC1 1749000906 DFBIITSMIBLGAM-UHFFFAOYSA-N 425.493 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccn(C)n2)CC1 1749005639 YAVQLFPLMCYBID-INIZCTEOSA-N 429.525 0.750 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1760219176 XFHXAONZVKSKPU-WOJBJXKFSA-N 447.605 1.000 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1760522501 VBLGPLPHQTUONH-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C[C@@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)n1nnc2ccccc2c1=O 1851210734 OGUMPXDIZDMADV-INIZCTEOSA-N 433.472 0.985 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)n1 1852482976 VSMOJMJCAPWNSG-UHFFFAOYSA-N 432.488 0.775 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)[C@@H](C)C2=O)CC1=O 1856325313 AYYDEMYJVGQQTM-WMZOPIPTSA-N 433.530 0.653 30 10 ICEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 111047521 JEUKXHACHKJYTD-QGZVFWFLSA-N 441.575 0.778 30 10 ICEE N#Cc1cc(NC[C@H]2CN3CCN2CC3)cc(NC[C@@H]2CN3CCN2CC3)c1[N+](=O)[O-] 301793395 SCGXUVNWHLBQDX-RBUKOAKNSA-N 426.525 0.290 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cn1C 513788176 MLPRCSVIYPHBCP-UHFFFAOYSA-N 437.547 0.380 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)n1 555318450 BSCCSROUFCFQOE-AUUYWEPGSA-N 441.463 1.505 30 10 ICEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O 603797908 WDDGBSKIJSCDJH-UHFFFAOYSA-N 440.569 0.578 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C/c2cnccn2)CC1 740966614 VDCQJEBKWXTWLW-AATRIKPKSA-N 441.469 0.438 30 10 ICEE COc1cccc(N2C[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)c1 751235579 CLGNEZSNCCCMJZ-CYBMUJFWSA-N 428.470 0.655 30 10 ICEE CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 767751132 MBSCQYXRCFFOSO-SJORKVTESA-N 431.555 0.832 30 10 ICEE C#CCN1CCC(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 780400767 LRTDIOQADQYDKS-HXUWFJFHSA-N 426.565 0.713 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 814382571 NDCKNBYTSQPEMR-UHFFFAOYSA-N 441.575 0.771 30 10 ICEE COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1126304310 PQGNMKDFSSGXHZ-MRXNPFEDSA-N 426.514 0.907 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(-n2cncn2)c1 1171323310 ZHXOQNIITCRVDQ-UHFFFAOYSA-N 425.474 0.797 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 1200559192 VJVGPRRFFQAAGI-UHFFFAOYSA-N 443.551 0.455 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286396761 WJUVGKUPLAFRDD-MSOLQXFVSA-N 437.566 0.131 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)CC)CC1 1286489802 FDCKAFSRUKLWHK-UHFFFAOYSA-N 445.549 0.245 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286778852 KOTIJMGQBFWUAY-KKSFZXQISA-N 432.525 0.591 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1286792867 KLTOOUAYUYVVET-HNNXBMFYSA-N 426.587 0.986 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286793956 QQIMGIYCFQPLNK-ZVZYQTTQSA-N 447.540 0.345 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1286940554 BUFCATONKJTUGZ-UGKGYDQZSA-N 440.504 0.964 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300732778 PCPMDJYFOFHUEV-MRXNPFEDSA-N 447.609 0.572 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300763872 TVDKNVXXUAOOGV-HRCADAONSA-N 437.591 0.604 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCc1ccco1 1301297632 ROAIGTXSOOCJLV-HNNXBMFYSA-N 438.510 0.143 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359221533 FVHPGURUWJJCQO-SFHVURJKSA-N 446.552 0.934 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)CC1 1449063111 QPJYCXYDXJMNRP-LJQANCHMSA-N 430.505 0.212 30 10 ICEE CCS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1516842265 RDBJKJROQXMBAK-UHFFFAOYSA-N 437.570 0.860 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1519161046 FOCVRKCCVHKYBP-UHFFFAOYSA-N 433.557 0.991 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc2c1=O 1559014787 JWJMDKBRCSZGGN-UHFFFAOYSA-N 436.453 0.702 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)C1=O 1597602621 QOSOUCKSIWKTNP-UHFFFAOYSA-N 427.866 0.727 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1612653211 HTUUEAXLZQDRAG-AWEZNQCLSA-N 433.476 0.637 30 10 ICEE C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(=O)OC 1638827405 UYLSBIVTKFQZKS-MAUKXSAKSA-N 449.529 0.751 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 1683088798 RIMGKOKMXJXFNJ-UHFFFAOYSA-N 438.525 0.669 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690496861 ADYWYYVKDSJITO-HNNXBMFYSA-N 433.513 0.482 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705565593 HXRATRKHHSMZSY-MSOLQXFVSA-N 431.566 0.790 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)CC1 1705633684 WHFUJESANXSPSU-OAHLLOKOSA-N 433.538 0.095 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1705881504 RAWNQHFSMPIOMU-OAHLLOKOSA-N 434.522 0.999 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705907089 ZMBSUEOAEXJNOG-INIZCTEOSA-N 437.460 0.672 30 10 ICEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1706928388 BLEDOGIXDRAOFG-KBPBESRZSA-N 438.485 0.835 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)C1 1706933093 XQQVEXPKGHHXSE-IBGZPJMESA-N 438.554 0.705 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)CC1 1722430813 AUEGPNKLYXCEDX-UWJYYQICSA-N 446.577 0.551 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722692873 ZLIMUALSBLXCIN-DLBZAZTESA-N 433.557 0.266 30 10 ICEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1723120054 SJWPSNZSSNVTBA-VGOFRKELSA-N 437.504 0.371 30 10 ICEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1728201232 BORFNEFQDKHIBP-UHFFFAOYSA-N 432.488 0.999 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCNS(C)(=O)=O 1740722565 CLZQBQNJTZELJR-LJQANCHMSA-N 431.522 0.857 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740958724 SUPPQTRYNZXMBR-CABCVRRESA-N 431.541 0.663 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763202537 IBUPKXWWWIDBSF-WATITHJCSA-N 436.476 0.581 30 10 ICEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1850242150 QRFXIUMCMMVTSS-SFHVURJKSA-N 425.938 0.945 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C1=O 1854241137 JYQQHLCAEURINZ-DLBZAZTESA-N 437.493 0.446 30 10 ICEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCN(CCO)CC1 1870571512 ZKHUUDZGROIDBC-UHFFFAOYSA-N 448.549 0.322 30 10 ICEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1962821817 BJDNTAFXCOXKEV-QZTJIDSGSA-N 427.505 0.958 30 10 ICEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098598 BCSYKVZOCLCGMH-UHFFFAOYSA-N 449.317 0.256 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2269058762 XGVFYUWWNXNQIX-HNNXBMFYSA-N 444.297 0.904 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=CC(=O)c2ccccc2)O[C@H](CO)[C@H](O)[C@H]1O 2296747994 KUVKOKYHHVKVFE-OOYIDZMOSA-N 427.453 0.905 30 10 ICEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O 440382648 NXYYSODPEWGWRI-OAHLLOKOSA-N 429.498 0.352 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 580115897 BBOZNHGBSUCXJC-UHFFFAOYSA-N 434.518 0.680 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CCN2CCOCC2)c1=O 679754966 HZVVRUNTPFQMQO-UHFFFAOYSA-N 441.557 0.238 30 10 ICEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CNC(=O)c1ccc(C#N)cc1 726982433 SECBBOJTQXRSEN-UHFFFAOYSA-N 443.504 0.826 30 10 ICEE C#CCN(C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 729331706 GECGMFULPQAGRO-OAHLLOKOSA-N 447.513 0.843 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 753753924 RBEWJNRTYIZPTJ-CJNGLKHVSA-N 449.558 0.907 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)n1 788695194 GRAYMTZWHMPEJQ-UHFFFAOYSA-N 429.495 0.896 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)n1 807514653 MAZDCRNPFDXRRC-IHWFROFDSA-N 430.553 0.758 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nccc4sccc34)CC2)c1=O 808231258 BQZAZGJINIEKGJ-UHFFFAOYSA-N 440.529 0.933 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)cc1 816691249 NYAZVAGWTANHRA-MRXNPFEDSA-N 439.490 0.370 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1134293551 AABSLUVOJYPNHA-HOTGVXAUSA-N 434.474 0.035 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 1152967813 QOYSWFAJAAEMNA-UHFFFAOYSA-N 427.486 0.559 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C3)CC2)o1 1196074410 RVYIYWRIDIFXHL-TZMCWYRMSA-N 449.455 0.411 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(C)c2)CC1 1286492050 FAIZRAYXQSGJJK-UHFFFAOYSA-N 435.536 0.887 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301139751 VAVKBZVCIFEVRH-JKSUJKDBSA-N 434.541 0.751 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301491695 NVYREWJCDMNYJD-UHFFFAOYSA-N 437.548 0.992 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358967567 NDMFIKZVPJLUHL-LBPRGKRZSA-N 437.444 0.120 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1359089324 GQXGMLOSJIHDAL-HOTGVXAUSA-N 440.570 0.479 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359126787 ZALJDOQUJKWERD-UHFFFAOYSA-N 445.568 0.507 30 10 ICEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1 1468452017 FMNUQFFKCGCDHD-INIZCTEOSA-N 429.495 0.080 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 1477575356 ZKEOAQAUKFRUSB-UHFFFAOYSA-N 434.497 0.615 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@H]1O 1503881284 LZWLSCKDKJBXQX-FGTMMUONSA-N 427.461 0.592 30 10 ICEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1F 1510698014 BUIGWUHFDPZKSG-NVXWUHKLSA-N 441.467 0.836 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3c(C#N)c(C)nn3C)ccc2F)CC1 1531924591 CFNPQIDLFYTUNP-UHFFFAOYSA-N 448.480 0.844 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1539221201 YSLKRRKSCKOWQX-QGZVFWFLSA-N 443.508 0.812 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539453291 HOUDYCNZDWZVKS-QURGRASLSA-N 446.515 0.546 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539517158 JIOWGWARBGDVHV-IRXDYDNUSA-N 432.594 0.938 30 10 ICEE Cn1cnnc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1557295833 AQPMTCLIRKLWHH-UHFFFAOYSA-N 443.533 0.436 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1588090147 SAPRWCYLBVCBMB-FQEVSTJZSA-N 435.550 0.427 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)nc2)CC1 1588864952 NBTLCIITSIVQSF-UHFFFAOYSA-N 436.520 0.557 30 10 ICEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1633089145 PKTJAFSRLZEIRZ-HDJSIYSDSA-N 427.548 0.977 30 10 ICEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1641521463 PNSNDPNZFSGPOF-SJKOYZFVSA-N 439.266 0.713 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccnc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689993105 VQJLYMKDTRFIRA-GOSISDBHSA-N 444.561 0.747 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCNS(C)(=O)=O 1690195914 RKRYRDOFFLZDNA-RTBURBONSA-N 425.555 0.862 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(O)CC1 1690526687 BUXOAQWDVWRBDU-QGZVFWFLSA-N 442.586 0.080 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569702 JHMAAHAVHWJPBC-CQGGRAHPSA-N 447.586 0.802 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1705580005 AXKJQFCANMPFSV-KRWDZBQOSA-N 426.502 0.258 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1705612924 SJEKEWPZHFFLNY-KRWDZBQOSA-N 435.554 0.735 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1705635861 NZEWBAOSQZNUPO-UHFFFAOYSA-N 427.534 0.511 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1711026008 BVONMFADOUJLQG-RDJZCZTQSA-N 449.558 0.875 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1722295512 LBFBIZQVGOVURD-RDTXWAMCSA-N 448.549 0.984 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1722430073 WHOZJOLXYAUKTN-HMFYCAOWSA-N 444.536 0.805 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1722694666 DFHOOFMKZMLNPQ-AWEZNQCLSA-N 441.492 0.478 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1722726451 FNNCGQXEPNOLDN-OAHLLOKOSA-N 439.538 0.216 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740958904 WQRROZDDEQOWGK-ZWKOTPCHSA-N 440.504 0.816 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCN(CC)CC1 1748640707 XBHDYGOBSMLILT-FGTMMUONSA-N 439.630 0.620 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 1748790769 LZBPDYCALZUDBK-ZDUSSCGKSA-N 441.464 0.456 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 1749721613 PIDNQUDKQKISBX-OAHLLOKOSA-N 434.522 0.999 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1760219175 XFHXAONZVKSKPU-VQTJNVASSA-N 447.605 1.000 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760449354 HPRIMTHIFIYYRK-SFHVURJKSA-N 445.568 0.566 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1760516966 YXDWDKNGLZMZIC-CQSZACIVSA-N 448.549 0.762 30 10 ICEE CN(C)C(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1766860978 BNAFIFLJPXIWMP-HNNXBMFYSA-N 432.506 0.556 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCC#N)CC3=O)C2)cc1 1856043823 QTVOUIVZGABLTF-INIZCTEOSA-N 434.518 0.680 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CC3CCCC3)C(C)(C)C2=O)CC1=O 1856057622 HLWFGMNCLGWXST-MRXNPFEDSA-N 425.551 0.990 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227851 OLGZVGOIWCZCCF-UHFFFAOYSA-N 443.552 0.112 30 10 ICEE Cc1nc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2247962982 SPPUWRJTEQAACU-UHFFFAOYSA-N 444.363 0.831 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267174156 RPPLFRDVITZFPU-UHFFFAOYSA-N 448.329 0.878 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2310482164 GLCRYFGFEAHLEH-ZGXWSNOMSA-N 444.532 0.954 30 10 ICEE COc1cccc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)c1O 105379225 GLKGBCMWZHPOHL-CNHKJKLMSA-N 443.449 0.390 30 10 ICEE C[C@H](O)CN1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(C[C@@H](C)O)CC3)c2)CC1 610276000 UPWHWFLUIKEQDE-DLBZAZTESA-N 432.525 0.472 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224734 CIELJHQFBJUVFU-HNNXBMFYSA-N 435.506 0.161 30 10 ICEE C[S@@](=O)C1(C(=O)N2CCN(C(=O)CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1137371138 HBAKDVVIWNAOOI-GDLZYMKVSA-N 426.539 0.719 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1178039537 XRABJMQMIBSAIC-AWEZNQCLSA-N 430.490 0.378 30 10 ICEE CCn1c(S)nnc1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1251755836 KMWKYWYCBKIREA-UHFFFAOYSA-N 449.562 0.717 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286549213 WKZZIFCJXUZYDO-PKOBYXMFSA-N 447.584 0.656 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286788085 PKWLUFAVYMXBOQ-CQSZACIVSA-N 446.537 0.791 30 10 ICEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1299319087 ZSOUUCPLGPOUHR-MRXNPFEDSA-N 435.579 0.656 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300501752 NIFIQKZLWANHCD-SJORKVTESA-N 449.577 0.842 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1300600929 CCRQHHXDRPRMTC-IXDOHACOSA-N 426.587 0.847 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1300806612 ZOZMXDVTYWGVNE-TXPKVOOTSA-N 439.538 0.019 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301491629 USZCMCXFAUAADL-INIZCTEOSA-N 438.536 0.431 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301497767 CZESLYPLMQRDPI-VFNWGFHPSA-N 445.524 0.636 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302909479 RVNUCJDMRCMEQR-IAFNSTAXSA-N 436.538 0.626 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)C(=O)NC 1314388253 ICSZJVBORUUXBB-UHFFFAOYSA-N 443.556 0.827 30 10 ICEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1330173925 IFKPCECOKAAYBP-ORIGZDJFSA-N 426.539 0.812 30 10 ICEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1337651101 UWEVGFVCXZLMQL-QGZVFWFLSA-N 438.506 0.705 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358955078 DJYGMXIMZPPMIE-AEFFLSMTSA-N 448.593 0.624 30 10 ICEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359211641 KCXBYBMIYCJGDW-UHFFFAOYSA-N 443.537 0.969 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1464747035 GXCPISVHJBCXEI-IAGOWNOFSA-N 428.942 0.672 30 10 ICEE CCc1nnc(N2C[C@H](CC)[C@H](N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498853144 UEGKFTXOIBFETJ-PAMSCFNVSA-N 443.552 0.914 30 10 ICEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)CCOC1 1502687226 YWBZJYQIUUDDCR-OAQYLSRUSA-N 441.492 0.553 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507631259 NCGODZRNMUGPQO-XOBRGWDASA-N 449.533 0.794 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1507690114 PTBUBRLXONDQJH-IRXDYDNUSA-N 447.565 0.530 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1536784841 BHDRXMLTMGMNFC-YQAQFAQXSA-N 430.486 0.988 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Cc3ccc(C#N)nc3)C2)CC1 1544681606 YTBLOSCPOOESBI-UHFFFAOYSA-N 449.533 0.589 30 10 ICEE CCN(CC)C(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1547419068 WXZWGQOYRJMQBN-ZCXUNETKSA-N 430.513 0.697 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1585143106 BJIFFTZCTANHGF-ZFWWWQNUSA-N 445.501 0.665 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1588293345 XGOKMMQCZHRWPW-HXUWFJFHSA-N 432.502 0.725 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1593746924 PIVANGPNQJNZJS-QFBILLFUSA-N 426.539 0.769 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOC)C1 1593884856 KXUJOHLIQXWZSG-LSDHHAIUSA-N 449.961 0.605 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595523033 NJQONDRLUUNPHK-UHFFFAOYSA-N 435.492 0.768 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1611124985 QXWPOFVYHFILFM-GVDBMIGSSA-N 445.582 0.850 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1 1611710868 GTDGUTHQEHQSAN-HOTGVXAUSA-N 425.559 0.493 30 10 ICEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620079106 OEOMUJYZBJNBJQ-KRWDZBQOSA-N 440.508 0.485 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nncn2C)CC1 1628116475 GPMFKMPIIZUIGY-MRXNPFEDSA-N 445.549 0.617 30 10 ICEE CN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1629068654 KNLSONTVGCAAKI-MRXNPFEDSA-N 428.493 0.680 30 10 ICEE Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1631583547 XBGIYQNWRJJWCC-UHFFFAOYSA-N 438.355 0.686 30 10 ICEE CC(=O)NCC(=O)NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639782618 KDQWHYSWWJIFGF-YUMQZZPRSA-N 425.276 0.868 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)C(=O)C1 1640703328 AZNFYMCBFREBCO-KRWDZBQOSA-N 449.577 0.372 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 1644282034 QOYCNRNUUPBYDS-UHFFFAOYSA-N 431.518 0.656 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 1676636988 VXGZPVPSCBZBGO-UHFFFAOYSA-N 436.538 0.511 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689930302 OYBWHSSUIATXGJ-SFHVURJKSA-N 448.593 0.338 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689980664 VXOHUBQDTMAQGJ-IRXDYDNUSA-N 440.566 0.934 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1690034439 IEADRKLPSXZQAQ-JTSKRJEESA-N 442.520 0.770 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCCS(C)(=O)=O)CC1 1690114783 HLAKSXYTVVDVCI-UHFFFAOYSA-N 447.561 0.770 30 10 ICEE C#CCSCCn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705663820 RAOSUVZFECUKID-UHFFFAOYSA-N 444.565 0.064 30 10 ICEE CNC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711413284 WZORJECMADDJKL-ZCXUNETKSA-N 428.497 0.218 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712693819 BKDTVYZVXHANFH-WFASDCNBSA-N 439.519 0.316 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1722723962 JRQBZLXCOSDTQU-WMLDXEAASA-N 444.583 0.619 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1740548952 CMSFGMXNJPOVSI-IAGOWNOFSA-N 438.598 0.943 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740963617 QZLKDNRNUQMNSG-IBGZPJMESA-N 442.520 0.809 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CCO1 1748223800 WSDIHORHETZKNP-SFHVURJKSA-N 428.493 0.843 30 10 ICEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1748752646 ZNSLEAXVQJSAEN-QGZVFWFLSA-N 447.565 0.748 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760189092 NILUVUHWLGNZKE-HNAYVOBHSA-N 432.506 0.167 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760225644 VFRVVWWWUKUSSZ-OAHLLOKOSA-N 428.522 0.977 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CC2)CC1 1760257354 URJPHWXCNIHALY-MRXNPFEDSA-N 425.555 0.335 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1760301020 QFAAKHAFPFLMRO-NSHDSACASA-N 447.359 0.608 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760554108 RKBYDOPHAOFNBO-HZPDHXFCSA-N 433.538 0.527 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1761500213 HHSSFPPVJNDVAU-ZFWWWQNUSA-N 448.505 0.437 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)CCOC1 1767425105 MUFAGKVOFMUCOK-IBGZPJMESA-N 441.554 0.731 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1769241685 CPBVPYAHSUNTEY-DYESRHJHSA-N 426.477 0.573 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 1899544934 SCOUEELXNKQABV-CYBMUJFWSA-N 430.332 0.675 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccc3ccccc3n1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 2297638615 AAMFNUBZOVLAEY-PSFFPDNBSA-N 436.432 0.014 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1=O 505900598 GMTIIWBMLPUFJF-AWEZNQCLSA-N 426.408 0.492 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 524516747 ILKGAHKCXHUSHK-LJQANCHMSA-N 429.521 0.934 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 569068012 YDKJHQFAORNDFW-UHFFFAOYSA-N 444.463 0.878 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1S(=O)(=O)NCC#N 569636555 LZEAISSGWUPJOE-OAHLLOKOSA-N 428.536 0.293 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1Cc1ccon1 575826907 LRBMJRKVJOHSOX-UHFFFAOYSA-N 432.465 0.381 30 10 ICEE N#CCNC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 582623276 CMBWRVCEGQBPLZ-CYBMUJFWSA-N 429.296 0.358 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NC[C@H]2CCCO2)nc1C 586302755 IJDAFZHEPROCOO-BODITIBLSA-N 429.520 0.777 30 10 ICEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671340 GMLJOYNIKSDKFM-UHFFFAOYSA-N 425.514 0.479 30 10 ICEE CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732707168 WMHVDCZDAOTLIT-HXUWFJFHSA-N 438.532 0.602 30 10 ICEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cn1 732795354 CVQNYTPKEUUDRY-MRXNPFEDSA-N 427.530 0.648 30 10 ICEE CN(Cc1cnccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 783936389 PKMDXVAODSAYPF-HAVVHWLPSA-N 430.490 0.887 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)c1cc[nH]n1 789954366 ISZUQCWSGHXQJB-UHFFFAOYSA-N 434.497 0.880 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 1142744886 IZCRLMXUYIHNSD-UHFFFAOYSA-N 436.534 0.797 30 10 ICEE COCCOCCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1144291864 SVOWDQLNAIAWFB-LJQANCHMSA-N 443.504 0.570 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1194689810 ADHAVRQLELYVDM-MRXNPFEDSA-N 427.548 0.083 30 10 ICEE CC(C)OCCCNC(=O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1251788578 CEOXHPFHTJYMHZ-ZZEZOPTASA-N 435.525 0.866 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C(=O)NC 1286325565 ZICNUQGKEAENLO-CVEARBPZSA-N 440.570 0.233 30 10 ICEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286451855 DILLLUMZGZOZIJ-ULQDDVLXSA-N 425.555 0.743 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1286820768 RNCRGPDRNXMLBL-ZIAGYGMSSA-N 434.609 0.723 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)C)CC1 1300685185 JACRLCVTHVGCJQ-JOCHJYFZSA-N 432.569 0.846 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1300763511 QGAJGIBCQYAYRA-DOTOQJQBSA-N 434.591 0.723 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1301498007 IBGCSKNKAZAGMD-MRXNPFEDSA-N 429.550 0.915 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)C1 1301556202 GHKZFFUNRQFKNE-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301567303 GWXFNWNWBMFPTR-JKSUJKDBSA-N 441.554 0.401 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305548411 ULMMUMQGYLISCW-PFANNTFUSA-N 442.524 0.874 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1314558105 IXUUSEGCIPGLKU-SJORKVTESA-N 443.533 0.471 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358893186 PKTLUXOHYCEZLJ-INIZCTEOSA-N 431.500 0.985 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1358994677 UAZGNSYNEQJGEL-QGZVFWFLSA-N 435.550 0.379 30 10 ICEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359153273 ZUPPGYLRTYLONW-UHFFFAOYSA-N 433.944 0.901 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335750 UAUQOATZUDIDCZ-LJQANCHMSA-N 441.554 0.198 30 10 ICEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1460843355 ARAWSQXSDIRSQV-DOTOQJQBSA-N 447.513 0.878 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507628509 WWDLEXAWZACDLI-SJLPKXTDSA-N 438.550 0.976 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1507631456 DOEGFTZIBNMTPX-INIZCTEOSA-N 428.518 0.715 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1507653680 QEXWWFFIVWCAPJ-KRWDZBQOSA-N 432.506 0.337 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([S@](C)=O)CC2)CC1 1507885286 WNOSGFUJHHOOOP-HBIPHATFSA-N 443.595 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1508149887 YANQMOKELUOBSL-UHFFFAOYSA-N 433.600 0.648 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1513984675 SALWIYKHMGFRCX-WPZDVLLZSA-N 443.508 0.761 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)CC(F)(F)F)C2=O)cc1 1531665844 OXMYXHFCHVEXMY-CYBMUJFWSA-N 446.407 0.857 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1540522273 OMFZTMDFOAOQAL-INIZCTEOSA-N 425.530 0.480 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1540904854 OVXMVRAGDQEYBO-HNNXBMFYSA-N 449.599 0.304 30 10 ICEE CCCC[C@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 1559417386 QXMQTJXRHWNGDE-MRXNPFEDSA-N 447.517 0.502 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1583820717 JOIKGHXNEDYHTN-UHFFFAOYSA-N 437.518 0.470 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)CC1 1588741440 CHIHIXLHTRJDOM-KRWDZBQOSA-N 437.614 0.518 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)C)CC1 1588930578 ZLKNYNXQLZBYRO-GOSISDBHSA-N 430.553 0.910 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1589216078 JIFORTKLNUENLE-DNVCBOLYSA-N 438.554 0.081 30 10 ICEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1617278979 INGYHFPBLPTRTK-WMQDPJMESA-N 436.538 0.941 30 10 ICEE COC(=O)[C@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 1617738317 OBPXKXUYYROQJV-FQEVSTJZSA-N 435.502 0.655 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCCCCO)cc1 1620350054 AKZBKXSEUPCZTN-GOSISDBHSA-N 437.504 0.516 30 10 ICEE N#C[C@@]12CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1620610828 DZMQVNMCPFLWBB-RXVVDRJESA-N 430.530 0.409 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2Br)CC1 1636475448 IUKGLKLAWLMUCN-UHFFFAOYSA-N 434.287 0.579 30 10 ICEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCCC1 1686924677 HMJGFYGOAIZQCG-IBGZPJMESA-N 449.581 0.740 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705900924 ULCGPRFFYJEWGH-HOTGVXAUSA-N 442.524 0.405 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1712641258 FKCGLLIIXCFVCE-MPGHIAIKSA-N 426.543 0.681 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1722389586 KAUQLBIANUVTAJ-SJORKVTESA-N 429.550 0.810 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1722419493 BCUPKHHMEAWVLD-QGZVFWFLSA-N 448.524 0.947 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 1722640661 QMMWHCPNHVJTLE-OAHLLOKOSA-N 447.583 0.058 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722699800 YQLNRABPPCIGSB-SJORKVTESA-N 437.566 0.735 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1740615818 LUQRLZJUHRTKEZ-KBPBESRZSA-N 436.538 0.191 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1740686408 SNECWUKKDFQBQA-KRWDZBQOSA-N 435.506 0.426 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1740744738 FYILXVXCVDCDCG-VXGBXAGGSA-N 432.344 0.791 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748818297 YUPYTBVRZBEFQU-MRXNPFEDSA-N 437.566 0.352 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1748891814 GODAKGSZYTWUQB-OALUTQOASA-N 433.578 0.611 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N2CCOCC2)CC1 1748999264 NQGWBTGUCFCMSD-UHFFFAOYSA-N 438.532 0.780 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749253412 ZRYIQRVKCAQBIN-OAHLLOKOSA-N 442.948 0.928 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760187943 MFEYNDIXBGACRZ-JKSUJKDBSA-N 435.550 0.673 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1760190196 UEHXIJCZYZNRJA-INIZCTEOSA-N 426.506 0.567 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760190458 QUUFOTLPOLGGBM-MOPGFXCFSA-N 445.545 0.696 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1760244588 AHHFKIHRKHKTQI-UHFFFAOYSA-N 429.506 0.611 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760524083 OWSCTJIKWJDHFM-LHSJRXKWSA-N 445.524 0.289 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1760697168 XGLRVRJVRVXLBB-PMPSAXMXSA-N 442.542 0.012 30 10 ICEE CN(C[C@@H]1CC(=O)N(C(=O)c2ncc(Cl)cn2)C1)C1CN(c2nccnc2C#N)C1 1856242346 XYUIPRIPBHCLCV-LBPRGKRZSA-N 426.868 0.601 30 10 ICEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243676316 HZUTVYZSGOCVNN-LBPRGKRZSA-N 427.332 0.944 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@H]2CCO[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 2286047809 JHCBYFIYBUYKFO-GJYPPUQNSA-N 437.474 0.399 30 10 ICEE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(N)=S)c3c(c(OC)c2OC)OCO3)C1 254295148 LEXUBVUHUKALCU-VIFPVBQESA-N 438.462 0.850 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477027327 UTFMBILKXJMPRB-ZDUSSCGKSA-N 433.515 0.577 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506918218 QQLRPSBAGWBKBW-IBGZPJMESA-N 449.515 0.879 30 10 ICEE CN(C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 507360780 RAPSZYSFCBPDCM-UHFFFAOYSA-N 435.550 0.685 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C[C@@H]1CCCO1 531598316 GNHLGURWTJJYOA-KRWDZBQOSA-N 435.509 0.524 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]2CCCO2)nc1C 586302758 IJDAFZHEPROCOO-JNFKXCBWSA-N 429.520 0.777 30 10 ICEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 589160221 BZNJAIQYQQQZES-UHFFFAOYSA-N 447.582 0.967 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 729257160 UUSLZXKGDOJIPT-UHFFFAOYSA-N 431.436 0.877 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 744459830 GCPVWYPSDWXHCR-HNNXBMFYSA-N 445.501 0.896 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)c1=O 758776833 MHXVDMSZIQDTLW-LSDHHAIUSA-N 431.497 0.371 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3cnccc23)c1=O 782927347 WLGNTXTYENZBNW-UHFFFAOYSA-N 432.505 0.747 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cn1 794580582 XRFRTPLVDIPLMR-DLBZAZTESA-N 442.541 0.804 30 10 ICEE C#CCNC(=O)CN(CC(=O)NCC#C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 915634780 NNDWXBFEMCXUNV-UHFFFAOYSA-N 440.865 0.046 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1298101592 HGAAMKCBXXAJRQ-IBGZPJMESA-N 431.522 0.410 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1300992309 VTOLDQANBWRGMU-UHFFFAOYSA-N 446.508 0.894 30 10 ICEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1)[C@H]1CCS(=O)(=O)C1 1311059026 HTWMUZCHCSIWIL-HNNXBMFYSA-N 429.520 0.266 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1313989515 DHCBSUKHRCQWKX-UHFFFAOYSA-N 445.549 0.119 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nncn2C)CC1 1452655704 BFBCLLVZHPZVAP-MRXNPFEDSA-N 445.549 0.761 30 10 ICEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457202407 QSPVSTBLGOCLIS-KRWDZBQOSA-N 437.456 0.907 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCOC2)C1 1505139063 DVBJLLIUIJAEPY-GRDNDAEWSA-N 428.490 0.089 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1507653057 LGXRFBALWLYMHF-LJQANCHMSA-N 443.529 0.632 30 10 ICEE CNC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(F)cc1C 1537457170 OWYVATSTECTOHP-OAHLLOKOSA-N 446.504 0.894 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1539211940 QECFTKLXLBAVDE-UZLBHIALSA-N 430.534 0.033 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539261177 ZUYWDJXKMNKRLV-HZPDHXFCSA-N 438.454 0.955 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCS(=O)(=O)CC3)C2)C1 1542842182 XXJFXEACRBZAFJ-NGEICVOHSA-N 440.566 0.620 30 10 ICEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1562142748 BWPDBRRAIXAPOA-UHFFFAOYSA-N 434.518 0.520 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)NCCN3CCCCC3)C2=O)cc1 1569057097 CIGOAFSHQBNZPI-GOSISDBHSA-N 440.504 0.482 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588812469 RSAFAQHOMKTBDH-KRWDZBQOSA-N 446.552 0.831 30 10 ICEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1589096605 FSUPYPUIFVJMOO-SFHVURJKSA-N 438.557 0.577 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCS(=O)(=O)CCO3)CC2)cc1 1617578256 YQRQLSFBTGMNEU-UHFFFAOYSA-N 427.504 0.148 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1652070588 DMKLNIXHHHVSAK-UHFFFAOYSA-N 444.517 0.658 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1690246704 WKVJZVZYLKARAM-DZKIICNBSA-N 426.543 0.196 30 10 ICEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705567394 XRWRIGFFYGQWOE-QGZVFWFLSA-N 443.529 0.695 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC1CC1 1705668129 FPLHDHDIZHXJME-KBXCAEBGSA-N 443.595 0.705 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1705925314 NTEJMOARFIJHET-GJZGRUSLSA-N 444.579 0.539 30 10 ICEE CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709556224 ZHCFWHSOGQNQRD-MYDZZUQKSA-N 443.508 0.761 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1711407249 VWQWKCPTBSKCHT-NRFANRHFSA-N 439.476 0.896 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1712617265 YPPPQJBKKIFYKV-IBGZPJMESA-N 428.493 0.821 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1712711558 PXLMNODXCFIIEA-LJQANCHMSA-N 432.506 0.362 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1722296564 RQWUPBHTWNXGRG-HZMVEIRTSA-N 425.555 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCOCC2)CC1 1722446413 VSPVPOYYDBFWHL-KRWDZBQOSA-N 425.537 0.960 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722703172 WRNSDPISCDFJKM-FQEVSTJZSA-N 443.533 0.288 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722857275 BTHINGRMACVFEQ-SFHVURJKSA-N 446.533 0.878 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1729339898 VYAYFMSDUCQFNM-FQEVSTJZSA-N 425.537 0.916 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748757951 PXDFDBJFFVGEGM-UHFFFAOYSA-N 429.569 0.804 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748804875 MEJPIAVPUZFQTC-KSZLIROESA-N 438.550 0.974 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1748892587 SDONSXSSUDHKRV-XLIONFOSSA-N 435.550 0.235 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1749402684 QNDMZMBYRWGNNG-KRWDZBQOSA-N 438.598 0.795 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749664667 WIXSPBZGIAWCCI-GOSISDBHSA-N 438.536 0.385 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cc[nH]n2)CC1 1760402347 KOXAJGBWTBZOMQ-HNNXBMFYSA-N 433.538 0.736 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760517517 OQIYOZYULIBLEG-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)NC)CC1 1760555885 PXTYDTUZZNNBAF-INIZCTEOSA-N 425.555 0.735 30 10 ICEE C=CCn1ncc(NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234025471 KQQHALXPALBUEU-DYEKYZERSA-N 445.314 0.945 30 10 ICEE CC(C)N(C[C@@H]1CCCN1C(=O)[C@@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687328 FLTKNBXQHHLBQA-IRXDYDNUSA-N 434.346 0.335 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)CC1 512152343 BUIJWPGAKFUUAH-UONOGXRCSA-N 437.570 0.693 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1C[C@H]1CCCO1 531437999 FCPITRPCROFMDF-OAHLLOKOSA-N 443.525 0.664 30 10 ICEE N#C[C@H](C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)c1nc2ccccc2s1 917096864 GKURLCRCLYFLDW-OAHLLOKOSA-N 449.558 0.667 30 10 ICEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CCOCC1 1253349061 WOGJLFOCKUFTJD-AWEZNQCLSA-N 426.461 0.575 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1286522888 PKPQNSMCBMCDAT-VQIMIIECSA-N 437.566 0.908 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286783138 LIWGLYQOWKKVCD-KRWDZBQOSA-N 441.492 0.915 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@@H]2C1 1286813982 HABIDSONDWBHCD-QGZVFWFLSA-N 436.582 0.789 30 10 ICEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300358595 ZTVRRHKDWXJJDQ-UHFFFAOYSA-N 438.536 0.753 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1302495466 QBUVGOZQLYIGEE-SJORKVTESA-N 443.533 0.471 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 1302924492 NHNLDLQPETXRNV-LLVKDONJSA-N 443.161 0.494 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1305115493 BDTSZUSTXHZIST-OAHLLOKOSA-N 435.492 0.658 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(CCO)nc1C1CCOCC1 1328524364 LYXIEZFLDHYKJX-HNNXBMFYSA-N 425.493 0.782 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359333623 DLNOAGXQCXPYIQ-FQEVSTJZSA-N 433.534 0.860 30 10 ICEE CS(=O)(=O)N1CC[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1435566795 OOIANSDMGSRWJG-GOEBONIOSA-N 433.490 0.161 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1=O 1471863839 XJVAWIGHVNOVRD-JTQLQIEISA-N 428.371 0.338 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)[C@H](C)CCC 1507617589 WNLJOLKVVBRFPG-HZPDHXFCSA-N 440.570 0.233 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1507633380 RZEQDUXGYOSARQ-JKSUJKDBSA-N 437.566 0.919 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1507660686 YDLYDPDDNCKFHT-MRXNPFEDSA-N 430.534 0.581 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1)C1CC1 1507993066 NPBUKCQOWONJDB-SJORKVTESA-N 441.554 0.571 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508087826 QCOLVWQMCRSWHQ-NVXWUHKLSA-N 445.568 0.909 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1539266834 SPJFCSSDIWNBPX-KURKYZTESA-N 435.550 0.235 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1539579121 HPLRZOHFKWELEE-NWDGAFQWSA-N 449.375 0.759 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 1585000345 YEKCVZJWVAHEBJ-FQEVSTJZSA-N 442.564 0.301 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1588647808 YTFWBDHVGGOMON-QGZVFWFLSA-N 432.550 0.776 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1617709474 PFBVLFKDPYASDC-FQEVSTJZSA-N 443.533 0.567 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034217 JSMNAFQRVVIQPT-MJGOQNOKSA-N 448.545 0.518 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1632960371 GEFUFSYLGGEMKV-CVEARBPZSA-N 428.555 0.682 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 1643372744 ZNTBXXGZUUNXBU-UHFFFAOYSA-N 447.966 0.506 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1689928297 LEOORLWXIYLGTA-SFHVURJKSA-N 427.553 0.777 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1690046492 CETPJWMLOPGMPC-GOSISDBHSA-N 433.578 0.754 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1690111476 CGBBJANCINTJQH-JTSKRJEESA-N 430.553 0.768 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1690139215 DOHQROAQHNILCT-QHCPKHFHSA-N 434.500 0.934 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC2)CC1 1690152828 ZDJYJZUATQSCOJ-UHFFFAOYSA-N 441.580 0.852 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690668277 YWVBBGNULATXKH-HOTGVXAUSA-N 429.525 0.943 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705572015 OSGJLKHKIOQWDL-ULQDDVLXSA-N 440.566 0.790 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1705598623 MRHBVBPLMXDOIC-SFHVURJKSA-N 446.533 0.727 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1705904710 VUUKXELBONOCRD-HNNXBMFYSA-N 436.513 0.725 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722693620 VEOGZUUUGLCMRL-OAHLLOKOSA-N 442.476 0.905 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1722699591 WMSSOOMVAFGJLQ-KRWDZBQOSA-N 449.533 0.964 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622081 TXWZDVKMEZGBGR-RDJZCZTQSA-N 447.565 0.610 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740628922 WNRLUBLOTYPTAP-QGZVFWFLSA-N 432.550 0.951 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1740639995 HONMKVYBCGGOFS-MRXNPFEDSA-N 430.509 0.795 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740885630 KWLAPDNJTXIZHO-MRXNPFEDSA-N 428.497 0.409 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949668 OKCRPFXOFIUJPC-OAQYLSRUSA-N 434.541 0.678 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748825193 WIZLHYOWXDWSEC-JKSUJKDBSA-N 444.579 0.266 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(O)CCS(=O)(=O)CC1 1749055121 FJMCWOHKPGYQOY-VQIMIIECSA-N 440.566 0.934 30 10 ICEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749235007 LMFDNNZJVBLEHH-UHFFFAOYSA-N 446.552 0.331 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1760185906 GXRIMMUNPOLXEL-KRWDZBQOSA-N 440.533 0.376 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760187958 MIEOBYLPJGMFDG-IXDOHACOSA-N 426.539 0.460 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1760500766 WHIUDXYOFKNAIV-UHFFFAOYSA-N 441.554 0.093 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1760548509 IDUTUSZFWXIJLC-GOSISDBHSA-N 427.527 0.013 30 10 ICEE Cc1cc(C)n2nc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2n1 1889424581 ALPLOIXJNGCJDN-UHFFFAOYSA-N 425.537 0.613 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCCO)[nH]s1 2166376214 XWTSQGWCRKMUJR-UHFFFAOYSA-N 448.526 0.758 30 10 ICEE C#CC[C@@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270537802 PVMVPXLHKCKZJG-VQIMIIECSA-N 426.491 0.396 30 10 ICEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 409665513 LUEPBYLWSCLYMS-MRXNPFEDSA-N 431.522 0.142 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)cc2)nc1 471324670 ZJQXZAADDAPIGB-MOPGFXCFSA-N 442.497 0.661 30 10 ICEE C=CCn1c(CCc2ccco2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508890241 WFQLWYHNKGAPTG-UHFFFAOYSA-N 426.481 0.309 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 517560977 DFFLZQNZKSOJOF-UHFFFAOYSA-N 426.477 0.407 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2)CC1 558924482 FQJMWZZVPHNBJI-UHFFFAOYSA-N 437.548 0.987 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 588152234 KYHLUQBCCPXKIK-INIZCTEOSA-N 426.542 0.755 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 588152235 KYHLUQBCCPXKIK-MRXNPFEDSA-N 426.542 0.755 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 730141912 LRUONGILIIUBEE-HZPDHXFCSA-N 438.575 0.873 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 772277434 IPPLMHHRDSNGII-INIZCTEOSA-N 425.514 0.511 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)c2ccccc2)CC1 772634145 IOHGJFGFOMXONT-UHFFFAOYSA-N 425.510 0.973 30 10 ICEE C[C@H](CC(=O)NCc1ncccc1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 785488617 OMULWXVNOFQODU-GFCCVEGCSA-N 436.515 0.619 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 788819931 PEMVHPAEMDNSBO-UHFFFAOYSA-N 427.417 0.825 30 10 ICEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3ncccc3C#N)CC1)C2=O 796261774 QUGFPMVKCXMXCU-UHFFFAOYSA-N 425.493 0.607 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 802563905 MLLUWYFBEAOGGT-AWEZNQCLSA-N 428.515 0.076 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1=O 1166523865 CIJAQOGBAGINCR-GOSISDBHSA-N 428.445 0.980 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286384282 HGMSFNNGDHLRLM-SFHVURJKSA-N 436.559 0.806 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1286415159 LEDUEXAFRAGVLE-UHFFFAOYSA-N 425.537 0.141 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)COC2)CC1 1286488269 MCKCXDHQMLBASV-JOCHJYFZSA-N 431.537 0.933 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286823883 RDDUUGBMLJMVFR-CXAGYDPISA-N 428.584 0.666 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1297322586 OLRBJWRYGFZUSC-QGZVFWFLSA-N 449.920 0.918 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CCC)OC 1300578600 NDRWHBSHVKQHEA-ROUUACIJSA-N 437.566 0.889 30 10 ICEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1300894869 IXRZHNXBZUQJTE-UHFFFAOYSA-N 425.555 0.856 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301425176 TZJPOVUNMUQOBZ-MRXNPFEDSA-N 428.555 0.751 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301496974 KYRYGPPARXZJDW-LBPRGKRZSA-N 438.414 0.542 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359222509 KFUKTJCIOFJHGV-RDTXWAMCSA-N 426.543 0.340 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@]2(CCOC2)C1 1359333624 DLNOAGXQCXPYIQ-HXUWFJFHSA-N 433.534 0.860 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1c1cnn(C)c1 1464702665 QEDQBEJVQTWCAY-GUDVDZBRSA-N 426.452 0.270 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CC[C@@H](O)C4)CC3)C2=O)cc1 1470284894 FLMFFVZXMGPKBA-RTBURBONSA-N 425.489 0.821 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1502475009 QJTXXEXFCRKXAU-INIZCTEOSA-N 430.494 0.710 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507640819 WPLPHNULDWHEMA-INIZCTEOSA-N 435.550 0.332 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507651460 ASOPVDJTYWBQQK-LEWJYISDSA-N 432.528 0.917 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1507670988 BNXGWRKMOGLZLH-UHFFFAOYSA-N 439.545 0.871 30 10 ICEE C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539087051 QSIAWNKVCOPZPA-VGSWGCGISA-N 444.536 0.269 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1539417432 HHZFUMHVVPOLLA-OAQYLSRUSA-N 432.546 0.813 30 10 ICEE CN1CCn2nc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2S1(=O)=O 1539549139 VLOBQTDWSXFRRZ-UHFFFAOYSA-N 428.518 0.737 30 10 ICEE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1540844096 HNQHRHZMJPEJDB-DMTCDCDWSA-N 434.493 0.663 30 10 ICEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1555690806 UIYUFDAQOKMLLZ-GOSISDBHSA-N 448.549 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1595788644 FHBGTQRTKHZXDU-MCIONIFRSA-N 447.583 0.088 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)c1 1607272623 ZDQYPXXNRCPVNB-UHFFFAOYSA-N 434.514 0.909 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1611308002 KAUQRMMUQTTWLJ-QWHCGFSZSA-N 436.485 0.631 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1689985961 GAOKQXQKHMNYDC-LBPRGKRZSA-N 426.449 0.281 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 1690432934 OZQGEWBHFMMPIR-OAHLLOKOSA-N 440.570 0.492 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1690659244 NWBJSRLJFDTGES-HNNXBMFYSA-N 441.540 0.640 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690733785 NDZKAXPDIPZWMQ-MCIONIFRSA-N 444.583 0.742 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1705599432 ZDFUGBZGKJOIKU-SFHVURJKSA-N 425.514 0.790 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1705628335 DDUJJAGYCNPWKR-MRXNPFEDSA-N 441.554 0.002 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)Br)CC1 1705633171 LENGIKBYQZKKIU-ZDUSSCGKSA-N 431.360 0.552 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711344287 NKSMDRYIMJCAPW-ZJYNUGOYSA-N 429.525 0.965 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1723675597 HSTYNFJVSAKKQU-PMACEKPBSA-N 436.488 0.619 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1727658549 HQFZTPGPPCGFLM-SFHVURJKSA-N 437.504 0.970 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1740625536 QVTQVYOVNBLRCO-OALUTQOASA-N 435.594 0.704 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1740960570 VGFPKJADUKKZNP-INIZCTEOSA-N 447.565 0.600 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1766943727 AERQWVXQNUXJKH-HOTGVXAUSA-N 446.489 0.822 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cn2c(=O)sc3ccccc32)C1=O 1854282755 OPIFXELSQQXRET-JKSUJKDBSA-N 428.514 0.909 30 10 ICEE CC(=O)NCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933905 RIZXRDCHLRANLM-KRWDZBQOSA-N 432.477 0.728 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23CCC(=O)C2=C2CCC[C@@]21[C@H](C(=O)OC)[C@@H]3C(=O)OC 1933242750 SVIQUYNSDHRIFR-AEIGVTKASA-N 434.441 0.987 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2310482162 GLCRYFGFEAHLEH-YSTOQKLRSA-N 444.532 0.954 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2315536571 JCGZWQFEUARCIN-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447278296 NKDDVWLGYYGYQN-UHFFFAOYSA-N 444.463 0.901 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 514529644 AAXJJVISISNCKD-QGZVFWFLSA-N 434.518 0.590 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1C[C@@H]1CCCO1 517987986 CNSMGMNPPJPEAC-AWEZNQCLSA-N 430.555 0.913 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537259882 UNZRAQGKPUBSER-GOSISDBHSA-N 430.578 0.377 30 10 ICEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 603491554 WOAKTIHTTOFGIM-UHFFFAOYSA-N 449.577 0.745 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 669814699 JXQQQRPUKIXBDZ-IRXDYDNUSA-N 440.570 0.098 30 10 ICEE Cn1cc(S(=O)(=O)NN=C2CCCOc3cc4c(cc32)CCCC4)c(=O)n(C)c1=O 771888490 CRYMCQITKFVWHW-UHFFFAOYSA-N 432.502 0.818 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 794877938 MXOJTCRLLFQDMO-SFHVURJKSA-N 434.541 0.775 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1179653460 YYDFPBXQBLBTHC-KODHJQJWSA-N 427.523 0.846 30 10 ICEE CS(=O)(=O)NC1CC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1211619165 DPHDTKQKMVSKIM-UHFFFAOYSA-N 426.289 0.818 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2conc2COC)CC1 1286495137 XPCLPDZBIBFKDX-MRXNPFEDSA-N 428.493 0.931 30 10 ICEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301249677 WSBWROXLJPBEJB-UHFFFAOYSA-N 427.509 0.793 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1301507051 UYZSOPHITFZEFL-UHFFFAOYSA-N 439.564 0.738 30 10 ICEE C#CCC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1309871851 KSCCFEUIWOUBFU-UHFFFAOYSA-N 442.559 0.867 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1359034745 BNHIXWLYBQJFMR-RTBURBONSA-N 429.569 0.221 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1359335361 JJJPWKWYFAKAOU-UHFFFAOYSA-N 435.506 0.403 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1503438697 ZNCJFTCTZJKSAZ-UHFFFAOYSA-N 428.493 0.511 30 10 ICEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503927979 FGMSQNUFOXMNFM-LSDHHAIUSA-N 448.553 0.516 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1507616330 JARCDUBKFFZZJZ-YJBOKZPZSA-N 447.517 0.520 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507631862 GSZMNBQHQYUQLY-IIDMSEBBSA-N 426.564 0.277 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507632376 KMAJUZOSHQBHRJ-QZTJIDSGSA-N 445.545 0.464 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1507710138 CGHMFCHCSXREDR-LPHOPBHVSA-N 441.554 0.266 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507723684 QMTBNIDRGIOJSO-GOSISDBHSA-N 428.585 0.010 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C)CC1 1507902578 KSAMYWWPZBBCNV-DOTOQJQBSA-N 426.587 0.964 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCOCC1 1508080454 OUWJSLHUZFKWKU-UHFFFAOYSA-N 433.538 0.767 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1519533440 GRZGPYQOIMRJHX-UHFFFAOYSA-N 446.533 0.725 30 10 ICEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1531710052 MJPCNVBJLSCLFZ-XFQAVAEZSA-N 428.445 0.942 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)NC)CC1 1539475641 KVJVMTQBYCWQEF-UHFFFAOYSA-N 444.561 0.769 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1539643688 AKQBXBQBXVVBFZ-LFDJNIOPSA-N 449.552 0.935 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540872870 CYZGNTFKLUFNPB-HXUWFJFHSA-N 438.580 0.782 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)CC1 1565489783 PPNKDMGRXUDRAA-RXVVDRJESA-N 431.562 0.561 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588053966 JHKQPLJBKLCDPL-IAGOWNOFSA-N 437.566 0.919 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1588645759 CDGZNGVZZVNRSA-BRWVUGGUSA-N 426.539 0.318 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595577469 SWOMTQNGZDWHGI-WMZOPIPTSA-N 435.488 0.746 30 10 ICEE C#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1598457496 NOPNMVGTDDMUSN-UHFFFAOYSA-N 425.576 0.922 30 10 ICEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1611485286 NUSPHSPKQCUPTK-IBGZPJMESA-N 425.507 0.725 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c1 1622661841 QNYXYBCDJYZNOU-MRXNPFEDSA-N 432.506 0.164 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 1632545964 SCOLPUABNOEDHD-UHFFFAOYSA-N 425.482 0.422 30 10 ICEE CN1CCC(N(CCO)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1640276006 FWFDLIAKCPNNBI-UHFFFAOYSA-N 434.562 0.874 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C1 1698310819 BFHQZGPNWSBVKC-KRWDZBQOSA-N 446.533 0.847 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705932384 SBNXYIGVQHQYMU-MRXNPFEDSA-N 431.522 0.497 30 10 ICEE CCc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709093500 NIQUAZBRBZDUFR-MGPWXQLLSA-N 428.497 0.407 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1722397201 HMJVCVHSMWADSE-PMACEKPBSA-N 425.581 0.966 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)COCCO2)CC1 1722565557 AAFASUOTJWNMNH-QFBILLFUSA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722702308 HMJYSPPIRMZBRE-ZOBUZTSGSA-N 436.513 0.581 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723624041 RDNSCAAUESFJTE-PERWBAPNSA-N 433.538 0.884 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccn(C)n2)n1 1740688954 MGQANVNSSDTOQF-GOSISDBHSA-N 437.508 0.494 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740889857 ROVBRXPRXQAIGV-KFWWJZLASA-N 442.542 0.416 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@@H](C)CC 1760116750 JTIKEZUKFSOVRM-HRCADAONSA-N 440.570 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)CC1 1760260747 AJKUWVOGCPFBBL-IBGZPJMESA-N 448.593 0.867 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CCOC)c2)CC1 1760261267 NFDRZRRUKHZYDU-UHFFFAOYSA-N 437.552 0.786 30 10 ICEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1765597578 GJYWHKWEVNIWKK-ACJLOTCBSA-N 426.518 0.784 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769383153 XRDBEMSLZAXDEL-RBUKOAKNSA-N 440.570 0.998 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1772566648 QIDYECOKBFCAPG-QZTJIDSGSA-N 444.584 0.136 30 10 ICEE C[C@H]1CN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853922205 NJMCKGUIWBYVCH-QFBILLFUSA-N 432.546 0.974 30 10 ICEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(CC(F)(F)F)CC3)ccc21 1854180628 PZBIBQZCYGFZMU-UHFFFAOYSA-N 430.408 0.885 30 10 ICEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855072890 PXXQJLOXMPAEKP-KRWDZBQOSA-N 433.534 0.209 30 10 ICEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 1993252135 XAICISSSIMLBJC-SOUVJXGZSA-N 429.514 0.915 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255595170 HEIGCFAZMLWYMG-STQMWFEESA-N 436.318 0.809 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2255821074 AFHTXYXMXPNYEV-UONOGXRCSA-N 436.318 0.741 30 10 ICEE COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 16775671 JCGMELITQUUSLA-UHFFFAOYSA-N 442.497 0.830 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 581163228 JZYSYZMSROQVQS-UHFFFAOYSA-N 442.501 0.539 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 603798243 LEQFSQMUGJJBFA-KRWDZBQOSA-N 427.526 0.663 30 10 ICEE C#CCN(C(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C)[C@@H]1CCS(=O)(=O)C1 735039730 DJBHXSRFXUGZRD-QGZVFWFLSA-N 432.502 0.863 30 10 ICEE CN1CC[C@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 773973609 AIVWHFMJEOCERK-SJORKVTESA-N 432.502 0.987 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1286376121 FVUGFIDHMMPXKY-GHTZIAJQSA-N 447.561 0.978 30 10 ICEE CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1286889053 CIKAULRHJIVGTB-NVXWUHKLSA-N 437.570 0.083 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1300273477 QNPHGMAAQKQAQW-JKSUJKDBSA-N 447.565 0.626 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1300630946 KBHYGJFMDCOYCU-LJQANCHMSA-N 436.626 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCSC)CC1 1300711405 BFYQWRQEDGZCHZ-AWEZNQCLSA-N 442.611 0.607 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1314962195 CDRDKUNXIDTBSF-CRAIPNDOSA-N 428.493 0.962 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1358963992 RAMLSZJVYSGLTM-IRXDYDNUSA-N 431.518 0.861 30 10 ICEE C#CC1(F)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1471607187 QBMUWEMPUAUEJH-ZDUSSCGKSA-N 435.399 0.802 30 10 ICEE N#CCSCCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1473263379 TZHDWKPVGDVQMX-UHFFFAOYSA-N 425.580 0.871 30 10 ICEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1504010220 JMHKWTZRQREOKN-KGLIPLIRSA-N 440.451 0.789 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCOC1 1507617065 QMTHCVYERJGEMD-IAGOWNOFSA-N 441.554 0.124 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507632054 IPNGPOOHMASIAE-BBWFWOEESA-N 434.566 0.340 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1508087743 PQKUQPLHSNOEPS-OAHLLOKOSA-N 436.476 0.817 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1508094924 QVHMGOWHFVDIIK-UHFFFAOYSA-N 428.493 0.836 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1508135352 LOEKAEHATGDKPF-UHFFFAOYSA-N 449.533 0.842 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1510304418 VOZFZWQKZJCGFU-INIZCTEOSA-N 428.518 0.966 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1539013812 JXSIIACPNVLFJJ-YESZJQIVSA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588029744 LLOCTNQDHYZSOD-JKSUJKDBSA-N 443.595 0.454 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1594090589 LTQRZHMROVBHIN-QGZVFWFLSA-N 437.504 0.649 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1611710703 DIZLAILRJXXEOA-GHMZBOCLSA-N 442.452 0.393 30 10 ICEE C[C@]12CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1620643376 FJEURGPAZTWYPA-FBBABVLZSA-N 434.537 0.901 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)c(=O)nc1O 1633550716 YLHHHTBXKBCTGR-CYBMUJFWSA-N 433.218 0.481 30 10 ICEE C#CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1645781194 FVUDRVBRPOJEFB-NXHRZFHOSA-N 439.578 0.870 30 10 ICEE CC#CC[C@@H](CO)NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1676869275 HKIVCSLTLRPKQG-NRFANRHFSA-N 430.549 0.846 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689841538 ISRGYQMYHRVKSB-XOBRGWDASA-N 434.518 0.970 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1690019840 SLSNSWJQSLBEEU-GJZGRUSLSA-N 443.476 0.108 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1690058507 XUOVCXZKOLXBJN-HTXNQAPBSA-N 434.460 0.911 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)CC1 1690112419 XKYQEEAZBYYJTC-LSDHHAIUSA-N 444.652 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690717732 ORGVHVBVXAYDRF-QGZVFWFLSA-N 449.533 0.506 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1705581215 YONKCNPBCHNDAX-UHFFFAOYSA-N 427.472 0.925 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705909308 SOWUWYITMXEXTA-NVXWUHKLSA-N 437.508 0.809 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)OC)C1 1705934778 WYLUYCAGPBJIGF-KBPBESRZSA-N 425.511 0.219 30 10 ICEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722643272 HHKYGRZAGMHGCQ-KRWDZBQOSA-N 425.536 0.441 30 10 ICEE Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726351332 DBLQNBGLCONLGY-HNENSFHCSA-N 431.541 0.908 30 10 ICEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1729598451 KRXVLBDCDMILQS-VZCXRCSSSA-N 446.471 0.622 30 10 ICEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)N1CCSCC1 1748801496 AWURWQLQNVCDNU-HOTGVXAUSA-N 443.595 0.450 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749663417 DLHMDFNNQMCFAS-MRXNPFEDSA-N 428.541 0.670 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751232604 IHTPCWSRFFGWAW-GXTWGEPZSA-N 437.526 0.951 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1760186160 AZWXOHOTHQSPQJ-CZUORRHYSA-N 428.474 0.369 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1=O 1767509084 WGYNLJGPTHVPOI-OPAMFIHVSA-N 437.504 0.909 30 10 ICEE CS(=O)(=O)[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771346877 FWPQUETXMXMRRU-DCOQFNDQSA-N 434.522 0.695 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)[C@@H](C)C2=O)CC1=O 1857113832 DSSKBPBCHRJDBU-HOCLYGCPSA-N 437.493 0.749 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619184 NLGOAGPPWKQYEJ-GXTWGEPZSA-N 436.318 0.978 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)n1 2267547358 JFYAGLOFAGOCTA-LLVKDONJSA-N 445.251 0.788 30 10 ICEE CN(CCS(N)(=O)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311702 LTKXCWHLJMYOOR-UHFFFAOYSA-N 444.793 0.610 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 481786189 KQKNNJPDWOVXJG-HKUYNNGSSA-N 433.578 0.854 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)N(C)CCOC)C3)cc2C1=O 485932589 NEYZZDFNJMCHAS-MRXNPFEDSA-N 449.529 0.981 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C#N 489703288 IVIGHNKXTAGCPL-HNNXBMFYSA-N 426.454 0.947 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 492786284 XXOFJHANGWSHKR-QPIRBTGLSA-N 441.598 0.500 30 10 ICEE N#Cc1ccc(N2CCC(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c(F)c1 506056894 ZZLIOAYMOGOQTO-UHFFFAOYSA-N 443.523 0.917 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 508903790 QJYZBYIIPPOFOR-HOTGVXAUSA-N 434.522 0.850 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 512710370 RIJBSKNQLXNPQR-UHFFFAOYSA-N 443.529 0.364 30 10 ICEE C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 541699541 VPZRYHKIWRFHSG-HXUWFJFHSA-N 433.534 0.121 30 10 ICEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 543624304 XGGYQHRLYDWYLB-KRWDZBQOSA-N 427.548 0.879 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 729256500 AGXFTYYXHNEMQL-UHFFFAOYSA-N 440.525 0.632 30 10 ICEE COc1cccc(OCCN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 766982436 CZIAEGFHWJOIGR-MRCUWXFGSA-N 443.504 0.928 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@@H]3CCCO3)c2=O)cn1 772279831 RBNYGBPVMAACBK-INIZCTEOSA-N 448.508 0.923 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 918610729 RATLNZJGYWEXRJ-OZBWHGLCSA-N 445.501 0.549 30 10 ICEE CS(=O)(=O)c1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1136149252 CTDHHAMHHNSHEY-UHFFFAOYSA-N 434.499 0.503 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1165508170 MYBFJJOSDVIPFG-UHFFFAOYSA-N 443.547 0.466 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1286314116 KEXVPLHAQXYTDE-OAHLLOKOSA-N 425.559 0.543 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1286940552 BUFCATONKJTUGZ-KNQAVFIVSA-N 440.504 0.964 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1=O 1298871250 GSZFQISIAPNMGC-QFIPXVFZSA-N 437.504 0.766 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 1299426449 LCFJISPWPXQQHP-UHFFFAOYSA-N 442.541 0.980 30 10 ICEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301190471 TXTBEWXRMOAICD-UHFFFAOYSA-N 436.524 0.956 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1301489786 BSLQFGYXFHXKFK-HNNXBMFYSA-N 436.875 0.991 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1301969699 ZUZGYODLWPOYHV-IRXDYDNUSA-N 437.570 0.469 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1316539218 CNJKBUOELYIKNB-DOTOQJQBSA-N 432.506 0.748 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 1359165602 SFJRKGYCKAELOT-HZPDHXFCSA-N 427.527 0.183 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359216224 RMZGAQCOUCVPFC-HNNXBMFYSA-N 433.538 0.733 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1464376107 BJBVYISQTGILKQ-DOTOQJQBSA-N 443.566 0.691 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)CC1 1478461844 RGKVSHNCACGGAV-HZPDHXFCSA-N 429.543 0.038 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1479079566 YQOVXQMDSKRNNW-HOTGVXAUSA-N 443.570 0.569 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1507517946 JQQSNCRNEBAHNJ-JXFKEZNVSA-N 440.566 0.716 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507542207 OKJGOCQQUNVVLH-MRXNPFEDSA-N 448.531 0.861 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1507688280 YTRFIOCKSHWWNE-CQSZACIVSA-N 434.522 0.889 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)NC(C)C)CC1 1507737560 ADABSGKWIUJYDV-UHFFFAOYSA-N 436.582 0.839 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1595569415 HFHIBECLFRAFQE-MRXNPFEDSA-N 431.541 0.445 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1595798169 MUZDOBZSKSUXCB-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1598075071 MSGCOTQECDXCHV-KSSFIOAISA-N 426.518 0.784 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1643372676 WPOAWGTVZHFQHC-OXQOHEQNSA-N 440.566 0.635 30 10 ICEE N#CCC(=O)N1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 1658693912 PMYMHOAXCNAZJT-FOWTUZBSSA-N 442.501 0.292 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1686084910 VWRFVNIRHPJSBK-YLJYHZDGSA-N 432.502 0.653 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1690190006 IYAJVEUSQPCBER-HDMKZQKVSA-N 443.595 0.705 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1698111938 BKTCFQSURYJZFU-UHFFFAOYSA-N 427.509 0.628 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CCC(CO)CC1 1698520273 GUWVRLBFUZWOJU-MRCUWXFGSA-N 437.504 0.999 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705565439 IGBCAKARMLZOKD-ZWKOTPCHSA-N 449.577 0.811 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705568218 JIWRAGIINNONSE-YLJYHZDGSA-N 434.566 0.927 30 10 ICEE CC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1705996252 RLBNJSGNQKCGGY-SXZOAGKDSA-N 427.509 0.814 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1722446906 BJKHLZDKQIRJPC-KRWDZBQOSA-N 428.537 0.794 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722452309 DIXKEFSYROYQLT-UHFFFAOYSA-N 449.562 0.373 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)CC)CC1 1722566259 NUYTTWDFZYNJLW-RXAIFQJESA-N 431.584 0.536 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740620973 IYVIHNLZPWIBNR-SFHVURJKSA-N 429.550 0.567 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)CC1 1740690155 HLWAELMADBLNGP-OAHLLOKOSA-N 435.554 0.491 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740955865 CAXLVTGRLAYAIB-UHFFFAOYSA-N 446.943 0.506 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C(C)=O)CC2)C1 1740970540 NLUSJUXEKFQRLQ-IBGZPJMESA-N 445.568 0.460 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 1748206362 DQYPMMKTBRCUEF-LAUBAEHRSA-N 426.477 0.573 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1748971678 YRGSMFCAJFNSRH-IBGZPJMESA-N 431.585 0.408 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1748989136 GDCNSHQQWSPLBA-GOSISDBHSA-N 448.593 0.338 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nncn2CC)CC1 1749010168 ONKPKHCHFQKXPG-QGZVFWFLSA-N 426.525 0.798 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1C(C)(C)C 1760174319 FTGBHVFDMREVSD-AWEZNQCLSA-N 436.542 0.075 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1OC 1760464327 FMXYAVGRJZVBHA-PMPSAXMXSA-N 429.543 0.285 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1769985107 XOCWUJHLSZIKEM-HNAYVOBHSA-N 441.554 0.682 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770729063 XDOJBUHEILRUIE-WMLDXEAASA-N 427.502 0.554 30 10 ICEE C[C@@H]1CN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853922206 NJMCKGUIWBYVCH-VQIMIIECSA-N 432.546 0.974 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)[C@H](C)C1=O 2286055818 MFWGGGXQPAZPMI-GDBMZVCRSA-N 439.490 0.415 30 10 ICEE CCC=C[C@H](OC)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O 2297748696 BSXLPZRKEPWAAT-BNMMGLGTSA-N 445.468 0.657 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2334388712 ICSCLBCDCBSFJH-FVQBIDKESA-N 449.313 0.660 30 10 ICEE COCCN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 470761831 LULHBLKPLHDTBE-QGZVFWFLSA-N 427.461 0.471 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 479387423 AEIHMQUAROVKGX-OAHLLOKOSA-N 428.514 0.522 30 10 ICEE Cn1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(-c2ccc(C#N)cc2)n1 491165520 FOLVDFLFYOGXBX-UHFFFAOYSA-N 430.534 0.653 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 603800314 WEQZDCCLACDOCO-OAHLLOKOSA-N 431.489 0.494 30 10 ICEE CN1CCN([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2cccs2)CC1 732440983 BHKCMIPKCJPHDH-AMGRQBIBSA-N 432.550 0.862 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C 760324020 XXAOMTQGFJGCAW-PKOBYXMFSA-N 447.561 0.415 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 790232971 HEYSTVOKNKMNDX-XOBRGWDASA-N 447.517 0.340 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1cc[nH]n1 799088517 ZHUGDYBHDXJPPC-RHSMWYFYSA-N 427.461 0.999 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1 839202892 JDEFDQANSZYCLL-ZDUSSCGKSA-N 441.488 0.426 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CC(=O)N(C)C)CC2)s1 1144085042 PHPMHMGGDUWEHL-UHFFFAOYSA-N 428.580 0.424 30 10 ICEE N#C[C@@]12CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1156669771 HTAWJWRMMBSWKR-RXVVDRJESA-N 446.529 0.338 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1223546260 INPYOGOGQDBFNL-FQEVSTJZSA-N 449.577 0.627 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286481710 WWMZOJYHZFSRPA-FQEVSTJZSA-N 429.613 0.953 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1286508200 GRLZXZWPWAVVPT-CRAIPNDOSA-N 426.564 0.542 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286786611 VNXKVUQFGZAPHV-CVEARBPZSA-N 431.541 0.664 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300364459 KJGJJMREMLEOFE-IKGGRYGDSA-N 425.555 0.622 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300492967 PWUKBWFZICGWOZ-BRWVUGGUSA-N 436.582 0.586 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300499030 OSAMGOIYNSUDIY-YRISNDGFSA-N 445.545 0.431 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301499113 XQHMLRZFHORGCT-MRXNPFEDSA-N 425.493 0.527 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1301557548 PTVKESFQLJADGH-NVXWUHKLSA-N 449.533 0.871 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2CCOC[C@H]2C1 1301588951 MRXLQXMYQCOJAN-SJORKVTESA-N 425.555 0.641 30 10 ICEE C#CCN1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1303557351 CKHATGARLRNRBN-INIZCTEOSA-N 425.576 0.969 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359287470 FVWDYMGSZFSYCC-JQHSSLGASA-N 436.582 0.355 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2=O)cc1 1447683581 BMNLTUDMOUOFOF-HNNXBMFYSA-N 428.474 0.167 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)CC 1503109546 RHBIAQBBXZXHMH-UHFFFAOYSA-N 433.538 0.843 30 10 ICEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1504719728 AEBMLLIQXHWNJY-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1507658154 DRXJRMYVHDXPTR-UHFFFAOYSA-N 435.488 0.670 30 10 ICEE C#CCSCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1507758473 NBZWTGSJBRTIAF-UHFFFAOYSA-N 434.610 0.923 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507957068 CUECXAOWSVYQLO-BFHYXJOUSA-N 429.499 0.595 30 10 ICEE COCC(=O)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518666791 XJFNQTVSKWRANO-ZZEZOPTASA-N 443.508 0.413 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc3n2CCCCC3)CC1 1539427953 KIZCOHAAMYQNHX-UHFFFAOYSA-N 439.568 0.732 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540901541 HHSQNKOPJAOPFE-MRXNPFEDSA-N 445.549 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540903927 HMQSDSGFTDKBSB-IAGOWNOFSA-N 449.533 0.225 30 10 ICEE CC1=CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1542801705 WVMRQDBRSAJXIH-DXQAYGFFSA-N 446.533 0.863 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1565220284 ZGSQGSGFXVNKLN-OAHLLOKOSA-N 443.533 0.719 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C1CC1 1588140414 WYVAKXABMYEYOS-SFHVURJKSA-N 434.566 0.168 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(CC)CCN(C(=O)OC(C)(C)C)C2)CC1 1588199194 IVFNJIDOIYHWLD-LJQANCHMSA-N 428.555 0.635 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccccc3)c(C)sc2=O)CC1 1588199494 QYMMXUDPILORCJ-UHFFFAOYSA-N 434.543 0.497 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1588646022 FYDOMMLZGSQSHF-RJCBAWPRSA-N 428.493 0.785 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)CC1 1588752006 PJLOMJRXZBEKSF-NHCUHLMSSA-N 435.594 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1595477785 ZPACFIDGUJRPSF-HUUCEWRRSA-N 428.559 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1595551571 RXBYWXVCWVJHFF-KKSFZXQISA-N 426.477 0.795 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1610904939 YHBABWSVGMOJSM-QAPCUYQASA-N 427.527 0.482 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1628339312 REVHJYJZNSIUFR-HXUWFJFHSA-N 436.578 0.888 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1630438160 GSUIHAISWOQGDO-FQEVSTJZSA-N 433.578 0.693 30 10 ICEE C=CCn1cc(CNC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)nn1 1659013858 IUJJWNWVXIJFDC-UHFFFAOYSA-N 426.525 0.996 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 1661770420 KEZBECBICSPOIJ-UHFFFAOYSA-N 433.303 0.429 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnn(C)c2I)CC1 1663573950 GWKXNDIBBPZGIK-UHFFFAOYSA-N 436.275 0.175 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccn(C)n2)CC1 1690137035 MSDQABSZLWWAEI-UHFFFAOYSA-N 440.552 0.944 30 10 ICEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705501767 NUEZEFWYBACWED-YWZLYKJASA-N 434.518 0.873 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1705936122 KJJFELOIWBLUNU-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722368166 PFVGUNJFWBWLAR-RHFKOARHSA-N 426.564 0.320 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722700273 DFGPKLCEBMPBSO-HKUYNNGSSA-N 425.537 0.723 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1731184156 BPKZAXJMOFYZGB-KRWDZBQOSA-N 427.490 0.581 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740961068 KNCZFHWWGUPKMO-UHFFFAOYSA-N 446.577 0.951 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1748962820 RSZFANVQAIKHRH-IAGOWNOFSA-N 432.550 0.725 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1750059532 ARJGAGUJJYXHKG-QZWWFDLISA-N 441.602 0.983 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760187656 KUJCCLCSQYEXSO-QLFBSQMISA-N 430.477 0.833 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760188034 ZGQVQDANLATPID-IAGOWNOFSA-N 431.566 0.870 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760189350 ICFJEICIXQELAR-PLMTUMEDSA-N 445.545 0.431 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1760206251 UUDBDFLIBRDGOZ-IBGZPJMESA-N 448.593 0.558 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CC2)CC1 1760257353 URJPHWXCNIHALY-INIZCTEOSA-N 425.555 0.335 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760440060 BCKJQLDPBVVMHM-JYJNAYRXSA-N 438.554 0.292 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760452381 MLNVHWLDOKZKOO-INIZCTEOSA-N 445.524 0.466 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C[C@H]2C(=O)NCc2ccncc2)CC1 1852190026 GUHALVWJAQCIBE-UXHICEINSA-N 434.500 0.966 30 10 ICEE C[C@H](CS(N)(=O)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831075 DVNDWPLJDPNLLQ-MRVPVSSYSA-N 444.793 0.656 30 10 ICEE CCOC(=O)C1=C(N)n2c(sc(=Cc3cccnc3)c2=O)=C(C#N)[C@H]1c1cccnc1 254624452 HJFIULLLRWQZBM-QGZVFWFLSA-N 431.477 0.691 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 481786641 KQKNNJPDWOVXJG-PKOBYXMFSA-N 433.578 0.854 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 566985087 INHCYUTXZPCAIN-HOTGVXAUSA-N 429.543 0.427 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2Cc2cccs2)CC1 579330220 FVXQRDOLZLQVLK-QGZVFWFLSA-N 432.550 0.900 30 10 ICEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)CCN2C1=O 588620582 CLFCFMOVMMAQEG-ZDUSSCGKSA-N 434.250 0.754 30 10 ICEE COc1c(F)cc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 603663081 KEPWTMGNRZMSJH-UHFFFAOYSA-N 433.465 0.640 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 623010617 LAXYMNXCZLKING-UHFFFAOYSA-N 425.510 0.879 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 727841780 HECDZTAHNAITCM-UHFFFAOYSA-N 443.533 0.805 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856606489 YRINZVAMQBDCAY-ZWKOTPCHSA-N 426.498 0.589 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1286940773 HBWMOHFDIJHXGP-DENIHFKCSA-N 439.520 0.225 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1300412116 YCMRSTVAZBESDW-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1300537375 GAHCHOPQAAPIQC-INIZCTEOSA-N 426.502 0.792 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@]1(O)CCS(=O)(=O)C1 1300788392 YPJAKHRYLUXZHU-KFKAGJAMSA-N 426.539 0.544 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301594571 HBNMRNLNGWYUPX-HOCLYGCPSA-N 439.611 0.984 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1 1303563880 FMXGJXHUISHZME-UHFFFAOYSA-N 441.575 0.969 30 10 ICEE C#CC[C@@]1(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CCCN1C(=O)OC(C)(C)C 1304086398 LCFFRTDFMUELMD-SFHVURJKSA-N 425.511 0.759 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314362654 AMFVLIYIVQIMJG-RAJOGRCSSA-N 431.497 0.446 30 10 ICEE C[N+](C)=c1ccn(/C(C(=S)NCCNS(C)(=O)=O)=C(/O)c2ccc(C#N)cc2)cc1 1320336405 IAIULBGZWNKBAM-UHFFFAOYSA-O 446.578 0.742 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1358955095 DMTYVMYZUCKXPM-OAHLLOKOSA-N 432.506 0.589 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955729 RZEQYHKBBDJCCV-AWEZNQCLSA-N 431.584 0.094 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC)CC1 1359032953 KIRICLMURGTHLA-UHFFFAOYSA-N 446.533 0.021 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OC)CC1 1359044374 DLWVXGUERSGONW-QGZVFWFLSA-N 437.504 0.647 30 10 ICEE C=CCn1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)nn1 1451879625 OHNMGOOWRXOPKB-ZBFHGGJFSA-N 425.898 0.558 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 1492727717 DVXHNJIRKIEJBT-MRXNPFEDSA-N 447.569 0.108 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1493177195 AZNZWZHBPXLJAH-RMYFCYLKSA-N 436.476 0.533 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCOC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1497114693 XAYDFTKBGBLOPC-RMYFCYLKSA-N 445.524 0.948 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1505083145 WMXWLMZUPFBFFL-BBWFWOEESA-N 441.554 0.946 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1507536047 AAVPXGKEZNBSME-MRXNPFEDSA-N 442.545 0.914 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508142903 CCSUCMPADCLTGO-NVXWUHKLSA-N 449.533 0.225 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1516847987 SGXCQZZZBZTTHR-UHFFFAOYSA-N 443.533 0.567 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1539266812 SNPXIXQDYPKJFA-OTWHNJEPSA-N 449.577 0.889 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539337875 NNJNHPDEVHVZAO-UHFFFAOYSA-N 430.534 0.930 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)CC1 1539452598 VUJUURFRVAJONN-SFHVURJKSA-N 431.518 0.590 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540020294 SOUSZMKUYVRRCI-KRWDZBQOSA-N 434.541 0.837 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1541934734 DFISIWFGIXNGRV-BXWFABGCSA-N 439.586 0.739 30 10 ICEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554225894 FDYOVNGWXAZMNI-KUOYXJDGSA-N 443.508 0.761 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1555993367 NEWKQXFTMOYFHZ-WBMJQRKESA-N 445.430 0.864 30 10 ICEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1558511864 YTVMCNVIELAGGH-DLPLYFIVSA-N 431.514 0.459 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1565590191 QNPSDIFKBTWDGM-UHFFFAOYSA-N 427.427 0.258 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1587640413 RDZQGFOJPPAACW-CRAIPNDOSA-N 447.565 0.578 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)CC1 1588199001 DWAGYZDYUBMJNS-UHFFFAOYSA-N 440.566 0.826 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1617710309 ZBWSDRPWMICTCI-UHFFFAOYSA-N 443.533 0.519 30 10 ICEE N#CCCN1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1643822107 LWNXBWSRYOQPLO-UHFFFAOYSA-N 436.534 0.964 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)ccc1F 1648036832 ICBMWEJZXWLSEA-INIZCTEOSA-N 427.498 0.463 30 10 ICEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 1654677624 BBRZFVIUOUPKHJ-HNNXBMFYSA-N 439.559 0.607 30 10 ICEE CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1662368075 FTWHYQDSLGBPAY-SECBINFHSA-N 426.289 0.772 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1690675112 PLRVRRLEYSKGGY-UHFFFAOYSA-N 442.524 0.321 30 10 ICEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1698064859 XRGWVFHHFIXINR-CQSZACIVSA-N 434.526 0.128 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1705495968 YABSYASDUMQQNK-DLBZAZTESA-N 426.587 0.799 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1705583504 ZPVVLMBNVCBLNU-LJQANCHMSA-N 443.529 0.763 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722360490 URGFAZPQLAZNBC-INIZCTEOSA-N 431.518 0.717 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N2CCOCC2)CC1 1722439562 HDJDXXNKUAHTCU-UHFFFAOYSA-N 429.550 0.248 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1722690012 CVMXDBKHKZDWFR-WBVHZDCISA-N 448.549 0.768 30 10 ICEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)N(C)C)C1CC1 1740906084 CIAFUHYDPABWFP-UHFFFAOYSA-N 443.537 0.967 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC 1748882461 SQJUYOAGPXUBJQ-UHFFFAOYSA-N 431.518 0.974 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1760115999 DJSLWMFGYHLJRC-DJPFJPOOSA-N 447.561 0.977 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1760182542 KLMIWCZPQJGEDB-DOTOQJQBSA-N 435.554 0.592 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CCO1 1760673898 KKXMHUDBQASFMS-SFHVURJKSA-N 426.477 0.595 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1769415226 GYKXNGICYBJQMI-KRWDZBQOSA-N 444.517 0.852 30 10 ICEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247840162 IQLUJOZWIGVFSK-UHFFFAOYSA-N 425.295 0.643 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619187 NLGOAGPPWKQYEJ-TZMCWYRMSA-N 436.318 0.978 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 72443800 JPRSGDNZWRDKAF-UONOGXRCSA-N 437.416 0.604 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)CC1 524496248 KPRQPDFAIOKHAW-OAQYLSRUSA-N 429.565 0.998 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)cn1 541799723 LLBIHEBABILMSJ-UHFFFAOYSA-N 438.469 0.581 30 10 ICEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 546882016 MUWMKMJBAXCZSX-UHFFFAOYSA-N 439.494 0.975 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 619481436 RMWJIIUDLLCUIS-UHFFFAOYSA-N 441.579 0.513 30 10 ICEE C#CCN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 731213774 RTBDAJZNNPHKKK-CVEARBPZSA-N 444.600 0.386 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664096 CEHRXMGEBCUGGV-SJLPKXTDSA-N 448.545 0.427 30 10 ICEE CC(=NNC(=S)NCCN1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 741161294 NYHMWEYFGFWYRG-UHFFFAOYSA-N 425.580 0.747 30 10 ICEE COC(=O)NCCc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)s1 788047012 NUEIVCCLRBFJMO-UHFFFAOYSA-N 430.552 0.883 30 10 ICEE C#CCN(C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 798493322 PTLRFZKVDCMGGM-CQSZACIVSA-N 447.966 0.840 30 10 ICEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 858004482 ASLMGQBMNUQWBD-WOLCWHLNSA-N 440.456 0.984 30 10 ICEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1177113583 CEBFPVIDZHWHCQ-HNNXBMFYSA-N 429.502 0.575 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286814318 PKWTZSRUFULUJJ-CABCVRRESA-N 434.522 0.733 30 10 ICEE CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1299222503 ZLDYDNXDHMJHFP-FMQUCBEESA-N 438.492 0.363 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)NC)CC1 1300689372 UUVHVSYXGVYOHD-UHFFFAOYSA-N 448.549 0.267 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCOCC1 1300780288 OUTXXIBSTKWVMY-YLJYHZDGSA-N 438.598 0.993 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1300829906 BXBCWCUSUGNTEV-NSHDSACASA-N 449.375 0.759 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1302241743 BTKKYQBRLYAWQD-LDDOYCOJSA-N 427.527 0.148 30 10 ICEE C=CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1337696317 XKMJWEMRGFNKBH-RDJZCZTQSA-N 430.548 0.572 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1358948375 BEDXIOAYNZKXQK-GOSISDBHSA-N 433.534 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)CC1 1466205531 QECURMFIRWYLHA-UHFFFAOYSA-N 433.534 0.752 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507564520 RLDOUKXQBJSOFR-MSOLQXFVSA-N 449.577 0.811 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)CC1 1507720382 ULJCCDKNSUHXAB-IIMAJNMQSA-N 435.594 0.985 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507962390 RIGWVAPDBQTDMS-IAGOWNOFSA-N 432.525 0.650 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1508121624 FPFISOIQZIJXGO-ROUUACIJSA-N 440.504 0.923 30 10 ICEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1508701239 DVNONLVUANTVIS-LZLYRXPVSA-N 432.525 0.784 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1539179788 RQFIJHXARJNLLS-INIZCTEOSA-N 436.559 0.896 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 1539452657 XFLRVUGQGZLLNR-RTBURBONSA-N 448.593 0.723 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540871626 PWFDGDDQGRTWCZ-CABCVRRESA-N 449.537 0.558 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540908077 BQVYTYJGJOYRJK-KRWDZBQOSA-N 432.568 0.430 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncn(C)n2)c1 1587692638 HKBHDCPUKGYSMO-INIZCTEOSA-N 433.476 0.462 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCc2cnccn2)CC1 1588071686 LRPFRDHZHPTIQW-MRXNPFEDSA-N 428.518 0.402 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1595603153 YVOSJVVXTBGTJU-OAQYLSRUSA-N 432.525 0.339 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623498915 JFTVTLRFRZDZQF-INIZCTEOSA-N 427.892 0.458 30 10 ICEE N#C[C@@]12CN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)C[C@H]1CS(=O)(=O)C2 1626656447 ZBZWYSWXWLCNSD-KXBFYZLASA-N 437.543 0.918 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2=O)cc1 1634588108 FSPYPKAJPGLBLM-KKUMJFAQSA-N 429.420 0.998 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1Cc2ccccc2OCC1=O 1651694174 BCOSQJFGJFYQNQ-OAHLLOKOSA-N 442.497 0.762 30 10 ICEE C#CCN(CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C1CSC1 1654191150 OXKREIOVOSGLEZ-UHFFFAOYSA-N 427.530 0.983 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 1668093386 WMCAWXVZTQAVQN-UHFFFAOYSA-N 433.534 0.930 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1690104091 MEZXPJSWDQNLRT-DLBZAZTESA-N 441.554 0.266 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1690110625 UKBQNTRYQWNWJG-GOSISDBHSA-N 439.520 0.876 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1690219286 AODMKIPWXCHPTR-GFCCVEGCSA-N 449.375 0.856 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705737234 MKXZWGFPHFCPFI-SJLPKXTDSA-N 434.566 0.949 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722727366 NRNNAGPLLROYSW-OAHLLOKOSA-N 445.611 0.864 30 10 ICEE CCOCc1nnc(N2CCC(CNC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729021997 RMQUYNOCRSWDKZ-VXPUYCOJSA-N 445.524 0.694 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740619094 MKKQNEPKMWNMHU-KRWDZBQOSA-N 426.502 0.580 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740990975 LGIIRUYZFKIQFB-HZPDHXFCSA-N 447.565 0.948 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1748818643 CTDAZDJWKXSVNK-SFHVURJKSA-N 439.545 0.981 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1748875880 YIRJIJOIVVSJAG-MRXNPFEDSA-N 426.502 0.823 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNS(=O)(=O)CC)CC1 1749286081 DXUNGMKEPYBEGZ-AWEZNQCLSA-N 434.588 0.374 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749726893 IKINFEUNZMOVMJ-MRXNPFEDSA-N 446.533 0.768 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC)c1 1760129148 ZDPOSJCZCNGPQJ-MRXNPFEDSA-N 431.518 0.883 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760182826 MPNZTSQBGNLSHC-JKSUJKDBSA-N 445.611 0.746 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760184140 VPZLEJBUPOPAJX-HZSPNIEDSA-N 449.624 0.267 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1760281348 MNNYOXZEZUAAIQ-OAHLLOKOSA-N 425.580 0.605 30 10 ICEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760284844 SPWAVQUKUJBOEL-SFHVURJKSA-N 438.557 0.691 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760356370 LXBIRUWKONBBPJ-HOTGVXAUSA-N 440.570 0.588 30 10 ICEE COCCN(CC(=O)N1CCCC[C@H](N2CCC(CC#N)CC2)C1=O)S(C)(=O)=O 1857184903 CKMOOVMLHAOWMY-KRWDZBQOSA-N 428.555 0.428 30 10 ICEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)C1 2247536929 YWWXWDPVXNKBKO-UHFFFAOYSA-N 436.509 0.884 30 10 ICEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)[nH]n2)OC1(C)C 2255632199 JYTDOQVRTMECSN-QGZVFWFLSA-N 425.342 0.913 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 549644502 RUZZJSGURSXSAL-KRWDZBQOSA-N 447.565 0.909 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 577307090 JRQPOXRXODBLOZ-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE COc1ccc(-n2cc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nn2)cc1 583411763 BDQLFDOBWSEZFI-UHFFFAOYSA-N 426.458 0.742 30 10 ICEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 809918484 ZOUKLQZIOQQUSH-LSDHHAIUSA-N 436.513 0.724 30 10 ICEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1OCC(=O)NC(C)C 1134645563 OKOOULFDAQOADN-MGPUTAFESA-N 435.502 0.609 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)CC2)cc1 1141413652 CFTOFEZGAMECHY-HUUCEWRRSA-N 444.435 0.706 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 1207302217 NWQZXSCIYBZVJH-ZDUSSCGKSA-N 428.477 0.917 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1287127890 XXMDURLYGXUMTL-DYVFJYSZSA-N 429.522 0.493 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1291193683 HFMUKRCUDCECPI-AYOQOUSVSA-N 440.504 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301579353 QAOOIMBHYPLDIK-UHFFFAOYSA-N 447.565 0.275 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)C1 1302978374 BPUSMEYSUZRJRN-OAQYLSRUSA-N 441.467 0.868 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1316347430 DUGSZGYJBINOPQ-LJQANCHMSA-N 449.558 0.876 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2noc(CC)n2)CC1 1359029175 QRHUOSJQOCQZGA-UHFFFAOYSA-N 435.492 0.869 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1359329409 IEVWIBXCQPRYSK-UHFFFAOYSA-N 446.577 0.804 30 10 ICEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1450340102 JDSWMOORMUGSMR-NEPJUHHUSA-N 431.308 0.630 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508078592 DTKKQMAZDWIIES-HNNXBMFYSA-N 449.533 0.888 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539231867 XYFFIIZMBZLXRA-IBGZPJMESA-N 439.564 0.530 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1540871290 IFUOOTQAPCNELN-GFCCVEGCSA-N 444.355 0.971 30 10 ICEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C(=O)OC 1556970272 SUNKABOFLCNABR-MRXNPFEDSA-N 437.474 0.985 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 1557008390 YLOITSJBUJTBLD-UHFFFAOYSA-N 425.532 0.238 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1595759600 GMGWXJAMTIHINS-UONOGXRCSA-N 449.599 0.493 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1619912533 GADIWAXKWOIHLZ-QGZVFWFLSA-N 448.549 0.602 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1640675942 ZCOVSFPSWGBZHA-RHSMWYFYSA-N 444.517 0.380 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643807154 NIPITTNGSUAEBS-NRFANRHFSA-N 443.479 0.962 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1690033270 UMUBFOOJEBACNF-HNNXBMFYSA-N 441.579 0.319 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690678399 VESZJROIIFJBKU-UTKZUKDTSA-N 434.541 0.142 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1690729337 MFZMNYWQIMUERN-UHFFFAOYSA-N 438.598 0.922 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1692541042 VKDLETOIELBFDG-MSOLQXFVSA-N 431.541 0.788 30 10 ICEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1698028514 GLEHKCCOUDGJPI-LJQANCHMSA-N 438.536 0.951 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1705495604 SCDMNCDUXNIKCD-BQFCYCMXSA-N 436.582 0.553 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1705553544 ZBWPZDIVCWFPTN-MRXNPFEDSA-N 429.550 0.956 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705565741 JZEJXLRGNRGPAV-JKSUJKDBSA-N 447.517 0.318 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CCOC)CC1 1705633289 NSFNJZLMKONVLY-INIZCTEOSA-N 426.587 0.706 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705737235 MKXZWGFPHFCPFI-WMZOPIPTSA-N 434.566 0.949 30 10 ICEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705818762 UPEXQUAPHBAVAO-QGZVFWFLSA-N 431.541 0.176 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705894707 IHCAIMHUNPNIOD-HNNXBMFYSA-N 438.492 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705930370 LNILSWGVZTXHOH-INIZCTEOSA-N 438.598 0.791 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708759323 BMTOJHHISZRCDG-STGLLQLASA-N 445.524 0.948 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1722355103 QHLPDSKOAZATIA-AWEZNQCLSA-N 442.542 0.205 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723194953 LKCZFXKPLQZSGI-ZFDMEJTGSA-N 428.497 0.484 30 10 ICEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1730706007 ZDXOHLRDFOHSCP-UHFFFAOYSA-N 434.522 0.847 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1740640410 MRGMFURKFXFLSU-CVEARBPZSA-N 448.574 0.944 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1740732301 YLTBPYLZODWSQV-QFBILLFUSA-N 433.538 0.385 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1740960259 ODGDUPQSGFAIEV-INIZCTEOSA-N 440.570 0.540 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1747973147 FDTZMLHEOCESKM-UHFFFAOYSA-N 443.537 0.563 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748844475 SOVOGRPCBOEAPH-HXUWFJFHSA-N 445.527 0.651 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1748980109 ZOPNQCNTMPXBFF-UHFFFAOYSA-N 429.488 0.725 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1749158976 NPFDFXULMCUXBW-OAHLLOKOSA-N 428.559 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749740214 AVWKCEHXPIGZDU-ZWKOTPCHSA-N 439.582 0.889 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190163 SMIBRSGZLVDCOA-MRXNPFEDSA-N 433.538 0.220 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760556590 IYTCMXJUHWCICJ-HXUWFJFHSA-N 432.550 0.827 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1763116012 ALENCOWCHGVXNG-BAEHRGANSA-N 429.481 0.371 30 10 ICEE CN(Cc1ccoc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1767147978 CLEVWOLDBDFNKK-RMYFCYLKSA-N 425.449 0.985 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)nc1 1852496880 JBAXLFNQPQIWNA-SFHVURJKSA-N 427.505 0.646 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 1858337202 XQVZAHTWDIAPGZ-KGLIPLIRSA-N 444.435 0.991 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628781 MYOAFIDAPVSKKE-TZMCWYRMSA-N 436.318 0.978 30 10 ICEE C#CCN(C)CCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270505629 IXLOPKVAZNOIKZ-QGZVFWFLSA-N 425.507 0.329 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 2286039708 JHCBYFIYBUYKFO-BXWFABGCSA-N 437.474 0.399 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286048572 JXGMKBBTKNKUTF-IRXDYDNUSA-N 436.490 0.368 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460394688 OSNMFKNTSQXDSQ-HNNXBMFYSA-N 449.585 0.647 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)n1 479377062 ARGZGUZJZVOWLD-HNNXBMFYSA-N 426.498 0.274 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 495831091 DWIUKNGTAFVRIO-WMZOPIPTSA-N 448.545 0.855 30 10 ICEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 543624305 XGGYQHRLYDWYLB-QGZVFWFLSA-N 427.548 0.879 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)n1 545502831 PDDOVLBTGWNSQA-RTBURBONSA-N 447.561 0.270 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3ncc(C(=O)OCC)c3C)CC2)C1=O 557356902 PACZMQOEKDIBMM-UHFFFAOYSA-N 431.449 0.509 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)cc2C1=O 599842572 YIBQJUCJPJLIPO-HNNXBMFYSA-N 435.502 0.687 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-n1nnnc1C1CC1 754189108 CLTNIZIZJULCTN-MRXNPFEDSA-N 436.476 0.686 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 757295506 UXYFIKWPDYQUTE-MRXNPFEDSA-N 435.488 0.861 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCCO3)c2=O)cn1 758094144 BVWIOMLAHQKFOE-QGZVFWFLSA-N 441.557 0.867 30 10 ICEE C#CCN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 774171095 AURYDYSZBCQYCX-QGZVFWFLSA-N 442.582 0.761 30 10 ICEE CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 777250554 ZSDUPNWPQXUPSE-OAQYLSRUSA-N 438.532 0.488 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cc(C#N)ccn3)C2)CC1 806969826 GKSLZJMXNITOTB-UHFFFAOYSA-N 435.506 0.660 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H]3CCCN(O)C3=O)CS(=O)(=O)[C@H]2C1 1141462969 ATZBHRCMIFIPNO-SYQHCUMBSA-N 431.511 0.153 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1152972281 CHEYOIOYWHRHDH-HUUCEWRRSA-N 428.555 0.538 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383499 WZLVBUBKVAYMOK-IAGOWNOFSA-N 436.582 0.527 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1286557607 WPYRBXNSISWJOQ-HLIPFELVSA-N 445.568 0.469 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286607111 BFCBEDDDONYWCX-KFWWJZLASA-N 426.495 0.887 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1286815957 BLBXKUFSDDPCFZ-KGLIPLIRSA-N 449.599 0.493 30 10 ICEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1286894240 BAHHPNQBXZBYMG-AEFFLSMTSA-N 444.517 0.916 30 10 ICEE C=CC1(CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1293902273 BWKAPRCAKLLHSM-KRWDZBQOSA-N 436.553 0.849 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300764624 YPUFEJCQWZBWLD-GPMSIDNRSA-N 440.591 0.931 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301484986 PKUSNQJHTPTBFW-UHFFFAOYSA-N 448.531 0.520 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301506706 PFCFUYRJDTWKOE-QZTJIDSGSA-N 427.505 0.840 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2CCOC[C@@H]2C1 1301588948 MRXLQXMYQCOJAN-DLBZAZTESA-N 425.555 0.641 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 1302924820 SUHGMRVZTQTADC-UHFFFAOYSA-N 428.518 0.623 30 10 ICEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1303735312 CKMDJPLEUZZFRI-KRWDZBQOSA-N 437.552 0.944 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1358882093 STJKTNIKAZRIFJ-VBKZILBWSA-N 432.502 0.724 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1359025543 RVVOUSCBSVWQLW-CVEARBPZSA-N 425.555 0.743 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1359025546 RVVOUSCBSVWQLW-JKSUJKDBSA-N 425.555 0.743 30 10 ICEE CC(C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359727490 WMMSVHVDSDURGU-PVHMMBIOSA-N 427.509 0.985 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507632265 KHKIOTAEHCPKPL-JKSUJKDBSA-N 440.591 0.997 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1507632377 KMAJUZOSHQBHRJ-ROUUACIJSA-N 445.545 0.464 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2COCCO2)CC1 1539470211 ZHHTUXKGVWYWDC-AVRDEDQJSA-N 447.536 0.311 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2c(ccnc2O)C1 1540901873 RYGIXORFHFQGGU-UHFFFAOYSA-N 427.490 0.999 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC 1588385127 FKAWXYRMERPSNN-GJYPPUQNSA-N 427.571 0.868 30 10 ICEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1595387309 ZWZBPPNJUAQWTG-UHFFFAOYSA-N 431.522 0.846 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C)CC(=O)OC)CC2)s1 1621959388 YRRNUPSCBKADQD-CQSZACIVSA-N 429.564 0.851 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 1629722289 KEFZZMYYFWREAL-DSIZOQBWSA-N 449.554 0.678 30 10 ICEE CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 1635099064 HFXFVPFBRSREAP-DIGCTUSJSA-N 428.493 0.616 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C(=O)OC)ccc2Br)CC1 1642589513 NOVBNJRHZQRRMH-UHFFFAOYSA-N 430.324 0.821 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)OC)CC1 1655707296 WOOLHYLOYNINQD-UHFFFAOYSA-N 429.498 0.682 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 1682538138 HGDFOLRUIIPLGG-UHFFFAOYSA-N 429.612 0.143 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)CC1 1687422083 YCNVEAAIEARKEG-SFHVURJKSA-N 448.545 0.854 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690082938 UDTHPOSBDFIXIJ-UHFFFAOYSA-N 437.504 0.123 30 10 ICEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1690122551 VFXBFQWOHUGMIC-UHFFFAOYSA-N 449.559 0.954 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1690700659 VUNYBMCRRCQAQO-IAGOWNOFSA-N 440.566 0.893 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1692762498 CBVRRFCWDGQFLH-XJKSGUPXSA-N 431.522 0.675 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705903436 WEFHHLFBJHAAIM-HOTGVXAUSA-N 437.508 0.461 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1=O 1712485541 BUDQXJGDTRVYBG-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1722383846 KLRFKESQJOCBMA-MRXNPFEDSA-N 447.521 0.008 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1722467536 TYSQMESAXBCMKJ-PNHOKKKMSA-N 434.566 0.891 30 10 ICEE C[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726568363 UOJMYBKQNBDXKE-SYWZAZHRSA-N 448.549 0.943 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1740685485 GVYCEQGCKIILBD-KRWDZBQOSA-N 431.518 0.413 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740960669 XKHRDQRKSOWQFB-SJORKVTESA-N 437.566 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1740960709 YKKGDDTYNPEHFG-DLBZAZTESA-N 438.598 0.651 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(N)=O)nc2)CC1 1748993704 IVPHESSZZRRGAS-UHFFFAOYSA-N 436.545 0.931 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)CC1 1749004885 PHTHAFXVTFZFNT-UHFFFAOYSA-N 436.582 0.577 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749225614 HFRCEWOAPHAMJV-NVXWUHKLSA-N 445.524 0.589 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1760209488 DOCLKUSNNBIFRC-HZPDHXFCSA-N 441.579 0.319 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1760521197 MEMWWVXLFIJDFW-HNNXBMFYSA-N 445.524 0.465 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1760522502 VBLGPLPHQTUONH-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1772564408 WUTBCPQMZKWCCO-HNAYVOBHSA-N 438.554 0.244 30 10 ICEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)c4ccc(F)cc4)C3)C2=O)ccn1 1856469773 CFLOLDUCVCHZCE-GOSISDBHSA-N 428.445 0.992 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3OC)[C@H](C)C2=O)CC1=O 1856863295 JXJSDUQVQRFQKZ-HUUCEWRRSA-N 435.502 0.478 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563998 RGACKOOKKUYPQE-UHFFFAOYSA-N 445.524 0.197 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255814832 FDRDFIZDLPNZMW-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE C=CCN(C)C1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270514531 PTNWQTXVUACSTM-QGZVFWFLSA-N 425.507 0.586 30 10 ICEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)c1ncc(I)s1 2367815008 FMLZFBAJFXXSTO-WCBMZHEXSA-N 426.301 0.950 30 10 ICEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)NCc2ccccc2)n1N 59914505 CBBWKPGIHBDRCC-SSDVNMTOSA-N 443.537 0.652 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCN3C(=O)[C@H](O)CO)C3CC3)nc2)OC1(C)C 204876254 RMPDYOFHJICZJZ-DLBZAZTESA-N 432.330 0.089 30 10 ICEE CCOC(=O)[C@@]12OC[C@@]34[C@H](C[C@@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@@H]3[C@H](O)[C@H]1O)OC(=O)C[C@@H]24 257397328 CMVMKMSNNMBUMZ-ZQDUSMPYSA-N 436.457 0.419 30 10 ICEE Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cn1 481050292 AWFFATRHDAWZMZ-UHFFFAOYSA-N 441.510 0.704 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O 608910684 DBTLOPNANDNOLU-UHFFFAOYSA-N 428.514 0.050 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763461344 WMXHHPFJDZYXMY-UHFFFAOYSA-N 447.520 0.765 30 10 ICEE N#C[C@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 781974154 JKIYMRWAXUNLNN-BQFCYCMXSA-N 438.937 0.663 30 10 ICEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCCN(S(=O)(=O)C3CC3)CC2)C1=O 802746148 FBQSLXHTYPURRO-HXUWFJFHSA-N 431.518 0.783 30 10 ICEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 914680289 XBDXLZLGIJDNRM-OAHLLOKOSA-N 449.471 0.894 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286387235 OWIQOEXMOPRFLO-OHZJNBGDSA-N 433.559 0.878 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286481102 RYSVXCSQPZEECT-MOPGFXCFSA-N 448.593 0.194 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286513641 XGUUWEQZGCXZKF-OXJNMPFZSA-N 434.566 0.853 30 10 ICEE C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1302843895 PUKBHNBGSUVZIC-YBTPXPDKSA-N 437.504 0.997 30 10 ICEE C=CCC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1303535650 WPJMOEWYQVJAOO-UHFFFAOYSA-N 439.509 0.588 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(=O)n1C 1307378234 AXRLTLDLNMANTE-KBPBESRZSA-N 443.479 0.796 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358960653 IZNXRQYLPLSPEJ-DNVCBOLYSA-N 435.575 0.778 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1358965156 OYJCKYYFEWVCOK-INIZCTEOSA-N 443.508 0.812 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cncn2)CC1 1359041820 JSFOQMPBOUZCJX-NRFANRHFSA-N 442.524 0.188 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cccc(I)c3O)C2)c(=O)nc1O 1457201793 QLWLRIDHMIFQRI-UHFFFAOYSA-N 438.181 0.828 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1493179622 MEGNFJIYZAYPKC-RMYFCYLKSA-N 436.476 0.533 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1507654886 UJGCPSZDVYKNQK-UHFFFAOYSA-N 438.513 0.837 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1507658390 JIKQVVJPBJSWFJ-CADBVGFASA-N 448.527 0.686 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2OC)CC1 1507722034 PEIBLGYNOQPTJZ-QGZVFWFLSA-N 446.577 0.895 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508142326 SNAHQEMYYHZKCP-KBPBESRZSA-N 440.526 0.107 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1518642575 DVOSAQCLKFOKSC-ZHRRBRCNSA-N 440.504 0.652 30 10 ICEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c1 1537005586 JHENQIVONDOGTG-PJSUUKDQSA-N 433.486 0.453 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(CC)CC1 1539295783 GAVVLHGIFPHMIV-RBUKOAKNSA-N 449.625 0.377 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539446106 QPLBFHBYMJNLHK-RBUKOAKNSA-N 429.569 0.341 30 10 ICEE CS(=O)(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1555818553 AAQULLHQSYKOMR-INIZCTEOSA-N 429.506 0.559 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1588732857 IBUNPTWXKPJIES-IBGZPJMESA-N 431.585 0.672 30 10 ICEE C=C(C)COCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1593769322 MNVKPDHPJSIRSF-UWJYYQICSA-N 437.541 0.863 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595550228 ALNBAZMLHOHCHG-RHSMWYFYSA-N 426.477 0.760 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1630078050 OJBFZHHBQBLYFE-MRXNPFEDSA-N 441.550 0.447 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)cc1 1631959864 YWXFWLWUEIGBIW-ROUUACIJSA-N 433.486 0.941 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1 1632960913 QUFPIXPEZCDZCZ-UHFFFAOYSA-N 447.513 0.654 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)c1 1642353416 XLKFJQZZZQANIH-UHFFFAOYSA-N 435.527 0.826 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](O)CS(C)(=O)=O 1648135632 KXOKHSPPEGFXAM-LLVKDONJSA-N 435.296 0.620 30 10 ICEE Cn1c(N[C@@H](CO)c2ccccc2I)c(C#N)c(=O)n(C)c1=O 1652312935 SRHOGNGCPRSYIV-LBPRGKRZSA-N 426.214 0.706 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@@H]12 1682021905 PJHREGOYKSEQKF-MLHJIOFPSA-N 432.502 0.113 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1689991197 XYJJRDVYFGTHJB-JKSUJKDBSA-N 433.538 0.806 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690119702 OXJRTIIHYSXELN-SFHVURJKSA-N 432.488 0.560 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN(C)C)CC1 1690150564 MOKVOCKQFPHORK-UHFFFAOYSA-N 443.596 0.954 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1)C1CC1 1690545609 VENVCRFJPHOILE-CVEARBPZSA-N 427.527 0.181 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705564425 OCBGJZIIMPIGRT-IRXDYDNUSA-N 442.545 0.882 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705571091 WPMOUISJOUXPPU-NQIIRXRSSA-N 445.545 0.696 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1705904178 HNUVTBWKNKVLQJ-JKSUJKDBSA-N 440.570 0.396 30 10 ICEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1710830701 ZOHIWDTWQYVCIJ-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710877095 PQDZFQCQGKNLIV-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722740546 QAJAXEZURZJUMW-CQSZACIVSA-N 428.584 0.666 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1729679121 GUKWAGIDCVBUHR-DLBZAZTESA-N 437.504 0.683 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740615369 BWZRZXXHJJXVEP-INIZCTEOSA-N 437.566 0.738 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1740623299 RCKSZJAMQWTTPV-INIZCTEOSA-N 426.564 0.607 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1740707973 XMQAXGSQQBSPFH-UHFFFAOYSA-N 449.515 0.783 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1740793081 PASAERLSAFGROB-INIZCTEOSA-N 429.543 0.430 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1748892586 SDONSXSSUDHKRV-PXNSSMCTSA-N 435.550 0.235 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749671192 ZNOCAHRFMOXFIR-SJORKVTESA-N 445.568 0.263 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760184261 ICNRJQGMXLCSHQ-OAHLLOKOSA-N 432.550 0.683 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCOC2)CC1 1760266023 OGUFXCNUKMPIIU-YADHBBJMSA-N 447.536 0.047 30 10 ICEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccccc2S(C)(=O)=O)C1)[C@@H]1CCN(C)C1=O 1857277388 SDPPGKGVCKCAAS-DOTOQJQBSA-N 433.530 0.798 30 10 ICEE Cc1ccc(C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 1866639161 RGJLBJSYUPRHCD-QGZVFWFLSA-N 430.486 0.846 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 427584903 DCMWXEGRIMBNTL-CQSZACIVSA-N 431.456 0.876 30 10 ICEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 513736360 ZQIJKMXMXITQJO-UHFFFAOYSA-N 434.315 1.000 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)cn1 735069456 VRXKKIBYNXTYEM-UHFFFAOYSA-N 441.538 0.758 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 743728979 UFAUGPUEVBRHGI-AWEZNQCLSA-N 430.555 0.979 30 10 ICEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)s1 752195094 VIXXUVKWTQVUEA-CYBMUJFWSA-N 430.555 0.889 30 10 ICEE C#CCN1CCC(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CC1 754530671 WRLOHEWFESUBHS-SFHVURJKSA-N 426.565 0.295 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccn(C)n2)C1=O 765547042 IULMXPGGOSWJPM-JQBIEYAESA-N 443.577 0.926 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCN3CCOCC3)c2=O)cn1 781653314 JBMGSUUENUCRIS-UHFFFAOYSA-N 441.557 0.238 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 837850020 RKCZCCIHKQZAFA-MRXNPFEDSA-N 427.530 0.384 30 10 ICEE CN1CCN(C(=O)c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1252143183 CIOJBCNEYQYOIW-MRCUWXFGSA-N 425.489 0.607 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286599607 BRIALCJUFJFZHS-KGLIPLIRSA-N 435.572 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCC)CC1 1286820198 GYHAIZJKMVJGKZ-HNNXBMFYSA-N 427.527 0.661 30 10 ICEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1288354789 SDSTUWPQVMSHCT-UHFFFAOYSA-N 428.536 0.092 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CC[C@@]2(CCOC2)O1 1288773649 PWODJTUVMOIUEO-FSZRXZPDSA-N 426.543 0.965 30 10 ICEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300478871 DQIFCUUZONCUEG-HKUYNNGSSA-N 440.504 0.335 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300972517 MLSMTEMYSXLUJJ-LSDHHAIUSA-N 441.558 0.037 30 10 ICEE CC[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305374153 KKQQQIZRXBQCFQ-UDJKBAMHSA-N 445.524 0.613 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 1310569119 IKAQQSRAZRQNND-UHFFFAOYSA-N 434.927 0.361 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1316348159 MDQWSDCSAKGIBC-LJQANCHMSA-N 449.558 0.876 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CC(F)(F)C2)C1 1316354340 GLVOQEOMHCCCSM-KBPBESRZSA-N 446.480 0.385 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1358887557 ZCTQONFVBZODDO-ZDUSSCGKSA-N 429.506 0.991 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358963143 CNGSERSKIIMXEU-CQSZACIVSA-N 431.584 0.043 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1359133167 MPFCOQIIVTYYGG-SJORKVTESA-N 443.570 0.819 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1359342695 CTWTYGYKNJDXTD-INIZCTEOSA-N 445.611 0.739 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1456958127 PQKUYWZWVBZHAO-UMVBOHGHSA-N 438.506 0.069 30 10 ICEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1502337392 HLKCFKCXYNDZMD-ZWKOTPCHSA-N 432.573 0.419 30 10 ICEE C#C[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1528154001 UIZPSXLDIGGDSW-IRXDYDNUSA-N 433.530 0.931 30 10 ICEE COc1ccc(N2C[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)cc1 1531608800 UVEMRLMILOFXBZ-CYBMUJFWSA-N 428.470 0.655 30 10 ICEE COc1cc(OC)cc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c1 1537005585 JHENQIVONDOGTG-LAPQFRIASA-N 433.486 0.453 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1539415337 CQBXDFCEUJIGIC-ULQDDVLXSA-N 443.545 0.835 30 10 ICEE CCOCc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1548137573 MLYNFHQDGXXXFD-ZGAGMJPPSA-N 429.481 0.057 30 10 ICEE C#C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1556795481 ZWKSFFBJMYPXBM-SFHVURJKSA-N 435.546 0.533 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1587620471 FQXZFVYZLIMFHM-CQSZACIVSA-N 443.533 0.682 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1588811385 IBPBNBOSXUIJON-GOSISDBHSA-N 444.561 0.427 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cc[nH]n2)C1 1595723536 XTFZBIOYOIMIGL-CABCVRRESA-N 449.537 0.115 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595797385 FKAZFZGXDJZULW-GJZGRUSLSA-N 427.527 0.660 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1618552222 IVHABZSIMOYYRD-SDRDPSJBSA-N 445.524 0.864 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 1622498715 SJJJRPZEAZIWHO-UHFFFAOYSA-N 440.862 0.161 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1 1637159304 BXDXORPRGYNQQL-UHFFFAOYSA-N 435.527 0.608 30 10 ICEE N#Cc1cn(C2CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)C2)c(=O)nc1O 1637506170 QKLJHLKOXTZXMA-UHFFFAOYSA-N 428.470 0.557 30 10 ICEE N#C[C@@]12CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1652521650 UIEOGKAUPKJJEV-LRDDRELGSA-N 431.923 0.405 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1687375521 LKRFXUBWOZBORR-OAHLLOKOSA-N 448.487 0.820 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1690096399 RWGUTRCOBBYNAC-HXUWFJFHSA-N 434.518 0.586 30 10 ICEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691018805 LKESYMLWLKXKRD-TXXBVZAJSA-N 436.538 0.940 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1698254863 OPGKCRJFMQLWDA-OTWHNJEPSA-N 448.568 0.966 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCC)CC1 1705633359 PBNWPZQFQPDNIW-ROUUACIJSA-N 437.614 0.518 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1705932370 CWKNDXBPRHRVFD-CQSZACIVSA-N 447.517 0.942 30 10 ICEE C#CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1722463851 OCCHKJBRCRWNNC-QAPCUYQASA-N 428.580 0.920 30 10 ICEE CCc1nnc(N2CCC(NC(=O)COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727561722 LBBUIUNGNUBPNK-HNENSFHCSA-N 431.497 0.098 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1740551210 KRJMRKSKELRJQN-HUUCEWRRSA-N 440.570 0.231 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1740656618 MBJZMYSYMZPODM-MOPGFXCFSA-N 433.578 0.490 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC1 1740706609 XZICVRCDHXYONZ-FOGNVHKLSA-N 432.550 0.106 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740958094 IFFSPZRMMOSCLQ-HNNXBMFYSA-N 426.477 0.939 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1748299997 LKHFURTWNBFBFL-HOTGVXAUSA-N 426.543 0.681 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1749650530 ASPWUUORIREQRO-GDIGMMSISA-N 438.554 0.197 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1749670528 UVMKUDDJRODKAM-RDTXWAMCSA-N 425.580 0.816 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1749682423 UCFJLYCHGKCDPX-DRSNIGMVSA-N 446.552 0.868 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1760521337 QABBHFXGMOQSEC-CQSZACIVSA-N 429.481 0.413 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1770360471 GZHSPTXZQNZZCD-UHFFFAOYSA-N 429.506 0.177 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(C)cc2)C1=O 1854241586 OOOQWJWDYTYVLV-ROUUACIJSA-N 433.530 0.615 30 10 ICEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243701675 GHOGPZWUOTYSKB-JTQLQIEISA-N 428.320 0.473 30 10 ICEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ncccn2)CC1 14160498 NGYCRYXQKLCNHY-UHFFFAOYSA-N 429.554 0.994 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 462144922 CTFUSKJLCHXKGN-UHFFFAOYSA-N 435.550 0.356 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 514645214 HIAKOQRWTZIKGV-AWEZNQCLSA-N 431.539 0.512 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514646301 VDGWGEOSXAETKG-INIZCTEOSA-N 443.500 0.590 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 558459664 MCGUHOFNTLACSN-KRWDZBQOSA-N 448.549 0.787 30 10 ICEE CN1CCN(C(=O)CC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 731350889 FRKOXIKISYKYGP-UHFFFAOYSA-N 447.561 0.128 30 10 ICEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1S(=O)(=O)NC1CC1 741096128 QPCDKJFDUBCBCY-MRXNPFEDSA-N 431.518 0.573 30 10 ICEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1CC(=O)N(Cc2ccccc2C#N)C1=O 747830212 VOPNLEGRVRBHOY-FPAYPSAMSA-N 440.456 0.705 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 752990385 KWGXECCLZFJAMA-JTHBVZDNSA-N 435.528 0.903 30 10 ICEE C#CCN(C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 774153881 QBLYPSYZVGHZPY-GOSISDBHSA-N 441.575 0.846 30 10 ICEE C=CCOC(=O)N1CCC(OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 790855066 ONSFMCVEMRDGCB-ZDUSSCGKSA-N 427.479 0.482 30 10 ICEE C=CCOC[C@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1139175486 GJFKHBMDVODNQY-QFBILLFUSA-N 426.491 0.302 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1175514797 IWHOXMFRFODWBL-UHFFFAOYSA-N 431.518 0.325 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389571 MOOVDTWQYSGNFO-OAHLLOKOSA-N 443.533 0.408 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286785136 FYJYGKXLZSWFSF-UHFFFAOYSA-N 433.538 0.550 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CC(F)(F)CO)CC3)C2=O)cc1 1300072409 GARJZQYOSAYRBR-INIZCTEOSA-N 435.431 0.535 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)C(C)(C)C1 1301568660 WJPAUQWICNFIFP-HNNXBMFYSA-N 425.555 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]3C[C@H]2CO3)nnc1[C@@]1(OCC)CCOC1 1301596711 WTALOQNFODCCLM-TXPKVOOTSA-N 426.539 0.899 30 10 ICEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(C)(=O)=O 1302680528 FSQAGGPMNKLZMH-UHFFFAOYSA-N 432.554 0.934 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(N)=O)cc2)CC1 1359030212 QPNIVFDNNDGDDL-KRWDZBQOSA-N 426.521 0.905 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1503682918 YMGANXFDCGKVHH-KRWDZBQOSA-N 437.504 0.922 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507623975 ZWXIOKNPXDBJQJ-OAHLLOKOSA-N 446.533 0.713 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507635033 RYZRPWVOOCGOCJ-MRXNPFEDSA-N 436.559 0.919 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1539231095 OHNVJIAYGNXZJH-IAGOWNOFSA-N 432.550 0.900 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)n(C)c2=O)CC1 1539430600 LTWGZCJVEUDQTH-SFHVURJKSA-N 428.537 0.813 30 10 ICEE C[C@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1545119092 SJFQYSHBOFHURS-XJKSGUPXSA-N 436.494 0.349 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCC2(c3ccccc3)CCOCC2)c(=O)n1CCO 1559456582 GHGBGMCHWWTARK-UHFFFAOYSA-N 426.473 0.047 30 10 ICEE N#C[C@@]12CN(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C[C@H]1CS(=O)(=O)C2 1560168840 UUKKJIWREISKDD-BUXKBTBVSA-N 436.559 0.925 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1584999885 CWTJCEHMAZRFBG-VGOFRKELSA-N 436.553 0.685 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588884476 BMFFYJYYCJMRBM-ZWKOTPCHSA-N 446.552 0.434 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCOCC2)C1 1595789119 NFBIGQPEKGGKSE-UHFFFAOYSA-N 436.538 0.665 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1645267895 RNNPETCNKPEKIS-YBKUAAOGSA-N 437.518 0.365 30 10 ICEE C#CC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1653281640 VZOPVDJFHWPWOJ-CQSZACIVSA-N 443.319 0.189 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689835075 FSPBRDWEXPFEAX-JLTOFOAXSA-N 434.518 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCOC2)CC1 1690138197 VHQGMXSNUXRRBD-HRAATJIYSA-N 435.525 0.119 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1690671064 OIJBZRPHDWYBLL-QGZVFWFLSA-N 448.549 0.990 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)C1 1698311002 HQSJWJCKLKUNRV-HZPDHXFCSA-N 435.554 0.641 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705565480 IOTHXYFONKOYTG-CHWSQXEVSA-N 431.465 0.138 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705689249 ZZCYFNJSGVJQHQ-UPJWGTAASA-N 444.355 0.804 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)COCCO1 1706867065 NKYCJOJGYRHSEW-KDOFPFPSSA-N 426.543 0.824 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1740877211 UVKKWZBAODJPOF-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1745876286 AJRRXFMASRQHBN-HNNXBMFYSA-N 432.506 0.556 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)NCC)c2)CC1 1748971170 GCJVNSUDEIEGSV-UHFFFAOYSA-N 437.548 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1749015454 WNFSXFCFGAVCKS-GOSISDBHSA-N 449.577 0.573 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749020135 MMOFLPOQNCIHJB-CQSZACIVSA-N 427.490 0.933 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1749669234 IPNCXJBIXHKJLX-GJZGRUSLSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749680225 HLZCAADFZLLJJJ-LJQANCHMSA-N 442.520 0.809 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1749721360 HYMPSYMTLVTFJR-UHFFFAOYSA-N 443.570 0.852 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749741202 SSPSODMBKQTKOK-QZTJIDSGSA-N 439.582 0.889 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@H]1C 1751208154 DGTHRPKQLCGYKY-CABCVRRESA-N 425.559 0.349 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1760174168 DWOMLLVTUZIVPT-QKLQHJQFSA-N 437.566 0.886 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760277460 LMRDFMUYYPOHPS-HNNXBMFYSA-N 437.533 0.954 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1763116013 ALENCOWCHGVXNG-MQINBFPNSA-N 429.481 0.371 30 10 ICEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766931432 BCFJLNJCZLFZNK-GOSISDBHSA-N 430.557 0.269 30 10 ICEE Cn1cc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cn1 1767458093 SLENSSBIZVRYDX-CQSZACIVSA-N 444.521 0.957 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770728781 VXIQXLUCQIVDJN-UQCBTIDJSA-N 442.455 0.482 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1771365844 HKXICDOTTDIJNF-CVEARBPZSA-N 446.489 0.870 30 10 ICEE C=C[C@@]1(CO)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2135110007 ARULDYFFALACNK-RBUKOAKNSA-N 426.466 0.590 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)CC2)o1 29710526 UELJQQZXWGJDJM-ZDUSSCGKSA-N 444.517 0.602 30 10 ICEE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@@H]3CCCCN3CCO)nc2)OC1(C)C 204881769 AOKBDZNDZCPHKM-INIZCTEOSA-N 425.360 0.786 30 10 ICEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1ccn(C)n1 432070562 ZZNFLAXIEFMADG-UHFFFAOYSA-N 440.489 0.328 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 460800426 CEEYOEDGLGYGQN-MRXNPFEDSA-N 440.570 0.636 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2C1=O 493538877 BAOFSWZNTSNUEO-UHFFFAOYSA-N 426.473 0.085 30 10 ICEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506676119 JZXBXYIYHXUMBE-IAGOWNOFSA-N 431.541 0.242 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C/c2ccncn2)CC1 754924412 OXBBDMBQCZUPSB-AATRIKPKSA-N 441.469 0.438 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 755128141 OZULLBHZSRELOG-CABCVRRESA-N 427.523 0.151 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(=O)(=O)NC)s2)n1 788851391 FZDONSVQKKXFLS-UHFFFAOYSA-N 425.536 0.844 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNC(=O)c1ccc(Br)cn1 1166453857 NPQSOCIQCSOUJF-BMRADRMJSA-N 436.266 0.607 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286432814 YXGZVRILDOXTHL-KRWDZBQOSA-N 432.550 0.145 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1286832141 PHUUDZOOFCDHPU-CQSZACIVSA-N 431.584 0.755 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1300495184 FDERYXQFDAIUNS-SJORKVTESA-N 426.539 0.198 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300540727 CKAAZJCVLLNPEF-MRXNPFEDSA-N 432.575 0.988 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(=O)NC)c2)CC1 1300680742 DBTAHFNGXFLYAT-UHFFFAOYSA-N 449.559 0.872 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300756313 JOSQFQMRPOEHCZ-ZBFHGGJFSA-N 445.549 0.362 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1300779965 JFTPUWLSLSOVON-OXQOHEQNSA-N 438.598 0.991 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300806588 ZJSFEEMTNLICMP-LLGFUMIMSA-N 449.577 0.667 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 1359036841 KYSAMQXENRLTDN-UHFFFAOYSA-N 426.496 0.622 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359291077 DCLIKZOXLKJSOQ-UHFFFAOYSA-N 445.568 0.947 30 10 ICEE C#CCN1CCN(C(=O)Cn2cnc3c(I)cccc3c2=O)CC1 1473044772 ZTEAXQNJERGBTO-UHFFFAOYSA-N 436.253 0.779 30 10 ICEE CS(=O)(=O)CCn1cccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=O 1476356313 FUHMPJCVZAHAJA-HNNXBMFYSA-N 431.474 0.845 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507746605 SAPCOJYQAZAMMJ-ZIAGYGMSSA-N 429.568 0.644 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1516007770 ZQWQGSYLLMDSJK-UHFFFAOYSA-N 426.481 0.879 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1540522274 OMFZTMDFOAOQAL-MRXNPFEDSA-N 425.530 0.480 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1561667964 KZMARVBZYAWQRY-INIZCTEOSA-N 428.555 0.083 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1570311491 OIMVOTYGUCCQKR-UHFFFAOYSA-N 427.548 0.791 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1CC(=O)N1CCOCC1 1588659247 GJTPPRXGCSQIEA-UHFFFAOYSA-N 427.505 0.822 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1589288233 IBPYYSKBIYTSTC-UHFFFAOYSA-N 429.319 0.620 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1595544472 IRMXFDZKUSLZFQ-QGZVFWFLSA-N 444.540 0.878 30 10 ICEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1612274425 BVNSPXYTSYZQMY-MRXNPFEDSA-N 431.518 0.922 30 10 ICEE CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Cl 1616329194 QFJQEGDVXIRGQV-BLLLJJGKSA-N 447.922 0.532 30 10 ICEE COC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619715579 AHDQNWXDWLKEJD-BAEHRGANSA-N 429.481 0.228 30 10 ICEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)C1 1620611560 XNGOTFQRTSTTMR-MMOPVJDHSA-N 436.578 0.354 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2N(C(=O)OCc3ccccc3)CC2(C)C)CC1 1635993396 LYBKFGNJNCRBNE-HXUWFJFHSA-N 426.517 0.927 30 10 ICEE COC(=O)[C@H]1CN(C)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1638206362 CMSGJBUGFUFOAN-RDJZCZTQSA-N 427.461 0.326 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C1CCN(C)CC1 1639165042 JOQUSGXNSTXGSY-UHFFFAOYSA-N 426.926 0.273 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]12 1641614958 TYUJRXJYWIIKSM-NXOAAHMSSA-N 446.485 0.034 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)n(-c2ccc(F)cc2)c1C 1655680385 DQXATUJHYIJDPE-KRWDZBQOSA-N 446.508 0.878 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc1 1673397787 ABJYOTHUGXXKBL-AWEZNQCLSA-N 430.552 0.896 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690669675 LZSRTTVRINHHDU-CVEARBPZSA-N 431.541 0.520 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690674029 MFHQCJVALJOGLA-INIZCTEOSA-N 426.525 0.930 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690722203 AYAAIKOTEZSMBU-GDBMZVCRSA-N 437.522 0.245 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1696972027 AYSQBSHQQHJISY-KRWDZBQOSA-N 426.477 0.595 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1705696025 DQAHVPLZQKDRRB-YGTYGHESSA-N 440.570 0.571 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1705853813 FHAFWQWNURWXQN-GDBMZVCRSA-N 443.595 0.759 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1711026007 BVONMFADOUJLQG-NVXWUHKLSA-N 449.558 0.875 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722338667 KOGFCCIJPCUWKU-UHFFFAOYSA-N 429.525 0.388 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1728259930 ITVJQSGDBRROSB-IAGOWNOFSA-N 426.477 0.655 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1731180714 CLRBEVHCRJIFFO-HEHGZKQESA-N 431.515 0.057 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740578505 BTNCGUXHKRFVCJ-HKUYNNGSSA-N 429.569 0.819 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCCCO)CC1 1740824767 BPRLXCLHKAENRS-INIZCTEOSA-N 445.611 0.883 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740876698 LDSGWVRGVJXLTN-NVXWUHKLSA-N 440.570 0.634 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740990974 LGIIRUYZFKIQFB-HOTGVXAUSA-N 447.565 0.948 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741480248 AGCRNCTYRLBIMW-DNZUHHBVSA-N 429.481 0.644 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1748790038 DKVVZUIWEOBXNF-MRXNPFEDSA-N 434.518 0.678 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748816323 YYMCMWXQXUMPBG-INIZCTEOSA-N 443.595 0.500 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1748842141 DPWWCXACAVBATH-HJPURHCSSA-N 432.484 0.805 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CCOC)C1 1749722006 YPSNAPYRTOBQIE-MRXNPFEDSA-N 425.555 0.978 30 10 ICEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CCO1 1750388373 OGCWEIOEGLDORT-HUUCEWRRSA-N 432.506 0.804 30 10 ICEE COc1cc(C=CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCC#N 2040417030 OMEYCEOAOMINJR-UHFFFAOYSA-N 428.401 0.016 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2255816054 YHUNLHPNPSQDIE-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE C#CC[C@@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O 2297611020 REWGHOIZHYUXEH-KRWDZBQOSA-N 430.486 0.075 30 10 ICEE CS(=O)(=O)N1CCC[C@H](CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 444052092 PUVNJQMASHOWSG-MRXNPFEDSA-N 426.564 0.536 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447281061 OVYVTVYBIBXQJF-UHFFFAOYSA-N 442.447 0.756 30 10 ICEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C[C@@H](C)O1 503641378 GVDXAYYSWRHCSU-HZPDHXFCSA-N 434.518 0.683 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 514523757 OAFMXSMPNVLGBV-WMLDXEAASA-N 445.516 0.882 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1Cl 515706806 CADBFZMVPARDFM-UHFFFAOYSA-N 434.927 0.095 30 10 ICEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1C#N 570611377 ZDELOKIOFRMQHD-UHFFFAOYSA-N 428.470 0.617 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 729330915 HSVLBUGKIMBKNL-CQSZACIVSA-N 444.531 0.021 30 10 ICEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774194943 AYUOTMMBUNZITM-SFHVURJKSA-N 441.575 0.846 30 10 ICEE NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)o1 1141663239 WYJCEXXRTWWZKW-UTCJRWHESA-N 435.433 0.633 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286274839 PFTSFGZRVMPYJT-JKSUJKDBSA-N 425.493 0.878 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C(=O)NC 1286325568 ZICNUQGKEAENLO-HZPDHXFCSA-N 440.570 0.233 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286829564 FCKRTECCRPANIM-OAHLLOKOSA-N 430.538 0.735 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 1293094960 XRGVVWZJGOGTSW-UHFFFAOYSA-N 430.573 0.592 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@@H]2CCOC2)cn1 1300602025 NNVYSSABMXLZLB-HZPDHXFCSA-N 435.554 0.748 30 10 ICEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300944389 WSZSUSXNLKAUOV-MRXNPFEDSA-N 433.538 0.942 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)[C@H](C#N)C1 1312468100 BFJCNBXFZNRZCG-HUUCEWRRSA-N 442.538 0.735 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)NCC(=O)NCC#N)CC1 1312662184 RJMUJNVKVQUSBJ-CALCHBBNSA-N 434.541 0.884 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1358966526 RABZRQAFQZUBAM-GOSISDBHSA-N 432.550 0.749 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C(F)(F)CO)nn2)cc1 1441668132 STAVEVZCWLLAIG-STZFKDTASA-N 428.421 0.885 30 10 ICEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1465458462 CMXKJKUOKLYQNC-GFCCVEGCSA-N 429.399 0.860 30 10 ICEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1505120613 HBPRBKSVABJVLV-HOCLYGCPSA-N 430.490 0.410 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1507654117 VZJPBGLMZRQVMT-YLJYHZDGSA-N 435.550 0.499 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539216479 SNVROGPPVPNWLU-SJORKVTESA-N 445.549 0.083 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540902279 FODVBFGXDFFSIE-GJZGRUSLSA-N 449.537 0.905 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588752003 PIQJYWGIPKTTAH-ZWKOTPCHSA-N 439.582 0.582 30 10 ICEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1617969288 HEIIBUYKOPOBRT-HXUWFJFHSA-N 441.517 0.736 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1=O 1618020850 CSVSONYPUKKQQY-HUUCEWRRSA-N 429.539 0.656 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)ccc1F 1638200363 VVZJPPVJTLHJPE-UHFFFAOYSA-N 436.469 0.239 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)CC1 1670808010 LPNNHRAINLADIT-MRXNPFEDSA-N 442.563 0.034 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689984706 SWZCRTQVLCESQM-AWEZNQCLSA-N 441.535 0.022 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689989613 HGXMVDFYRUICII-HNNXBMFYSA-N 445.611 0.385 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)CC1 1690130658 KTLRQBHSPMDXHS-UHFFFAOYSA-N 441.580 0.948 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)C)C1 1690714209 HLGDNNAAONHYSI-MRXNPFEDSA-N 425.555 0.976 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1690958381 TUEFYNSQPYVHMD-ZCNNSNEGSA-N 440.504 0.698 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)CCOC1 1696100195 ZPFSIHXSINOIHU-NNMXDRDESA-N 448.568 0.896 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705934752 WCNDLOYAMJAWNV-VXGBXAGGSA-N 437.444 0.598 30 10 ICEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1711016173 BVOYYIUMSNIIPD-IBGZPJMESA-N 440.552 0.953 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1711302248 GSIKYDFFRVRNMY-OAHLLOKOSA-N 447.565 0.963 30 10 ICEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722552828 VYSCHERTFTTXIC-HNNXBMFYSA-N 430.896 0.777 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1722725707 QXJZJLUPOJMXIO-UHFFFAOYSA-N 444.521 0.896 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748808065 HKRWOIUHHXKCBY-RXVVDRJESA-N 441.513 0.595 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1748867558 JDPYKPSWDOGREP-QFIPXVFZSA-N 429.521 0.640 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)CC1 1748972999 URHFRSVIZQEXBU-SJORKVTESA-N 446.581 0.103 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccn(CC)c2=O)CC1 1748978596 NYZXOGYWLXQOBE-HSZRJFAPSA-N 440.548 0.915 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1760117665 RXJFQLICMJFAFF-RDJZCZTQSA-N 447.565 0.578 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 1760154359 DAQFPTVOVBWNRM-SFHVURJKSA-N 436.582 0.699 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760440972 VBFVMDOVURQIFL-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1764909109 FILCTSLRVGRMKF-INIZCTEOSA-N 425.541 0.995 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H](O)C1 2076810339 FVQXEVFOMCLRNG-SFYKDHMMSA-N 444.532 0.956 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2255694613 QMRRIQKCJRYIQB-MRXNPFEDSA-N 431.224 0.397 30 10 ICEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447273713 XCMJKVMRCYRUDN-UHFFFAOYSA-N 438.351 0.701 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726577310 NFZFQXKWWNCEJA-UHFFFAOYSA-N 433.493 0.604 30 10 ICEE C#CCN(CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 731213803 SSZJPYAXKHLMNH-LJQANCHMSA-N 431.558 0.838 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 735860091 WHYNMWPZJPHYKN-UHFFFAOYSA-N 425.511 0.320 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767147903 GIIIIYHOBBGYBL-ALQZDLGESA-N 437.500 0.618 30 10 ICEE Cc1nccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 918452760 HUHJRWWCKCUFQC-ULJHMMPZSA-N 430.490 0.853 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)NCCO4)CC2)cc1 1141413637 BTBKQUPNZWIUOJ-UHFFFAOYSA-N 440.481 0.827 30 10 ICEE Cn1ccn2c(CCNC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)nnc2c1=O 1155604879 ZNMSWDJQLIBPHW-UHFFFAOYSA-N 428.493 0.737 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCCC2=O)CC1 1286483283 FMKSMURUDLDLNZ-UHFFFAOYSA-N 441.580 0.948 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1286779769 XEJLMHDWIUDVND-UHFFFAOYSA-N 433.557 0.363 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286785326 DDMDHTRCCMPZIV-ZIAGYGMSSA-N 432.481 0.548 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286832454 LDBMTULGNZLKTN-RDTXWAMCSA-N 425.580 0.958 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1288524478 CZRXUAJOUFZWKN-NVXWUHKLSA-N 433.538 0.987 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1288801715 AGLAKGXAXRQKDZ-OCCSQVGLSA-N 430.556 0.063 30 10 ICEE CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293581262 AFBCSGITRXFECI-MQINBFPNSA-N 429.481 0.371 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CCO1 1299133849 MWAWITSWKBUNEP-GOSISDBHSA-N 437.460 0.951 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC=C)c1 1300332564 JGJNXGZPZLFSHT-KRWDZBQOSA-N 435.488 0.588 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1300538147 NYNFOXZSIZMPLN-SFHVURJKSA-N 445.549 0.050 30 10 ICEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1302125307 YLPANCMKALSDBE-JKSUJKDBSA-N 434.497 0.170 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1313995846 HDHRQUBLTUWOOG-JOCHJYFZSA-N 438.536 0.735 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314954924 XZCYNBUQFYMJID-CQSZACIVSA-N 433.538 0.574 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC 1358890964 XWWKWYWDNCAAFO-DRMAHVMPSA-N 427.571 0.866 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1358966081 HNPIJAOLABYWAK-SFHVURJKSA-N 447.565 0.293 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1358978295 IPTDWPDZUCBOIR-KRWDZBQOSA-N 436.582 0.272 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)CC1 1359028290 NDNRQJWFBGNEGN-HXUWFJFHSA-N 427.534 0.549 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359305287 YLSAKKZDTBBWNZ-UHFFFAOYSA-N 447.584 0.641 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359327198 VHFCYSRBCWGGBP-ILXRZTDVSA-N 449.599 0.350 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCO[C@@H]1CCOC1 1360672460 RPXBRFBDQQSJBJ-GOEBONIOSA-N 426.543 0.824 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1 1471273984 ZZVXDXWMYATDIX-UHFFFAOYSA-N 440.481 0.580 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1508037970 GOYLOVKSPPUBMR-YWZLYKJASA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508084414 BCIRXENZPSFPQQ-HUUCEWRRSA-N 447.540 0.882 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1539231099 OHNVJIAYGNXZJH-SJORKVTESA-N 432.550 0.900 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539704659 GKPSVFXBCPJTAG-DLBZAZTESA-N 440.570 0.492 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1)C1CC1 1540108718 LLTYNOPWDVUNMX-AWEZNQCLSA-N 439.567 0.974 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCCOC)CC1 1540444627 WFYQQLWYEJYTSN-OAHLLOKOSA-N 432.949 0.929 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1544477276 SNMWPERDVIFLEP-IAGOWNOFSA-N 437.541 0.623 30 10 ICEE CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1554509634 ILTHAVYXUHCRJI-UHFFFAOYSA-N 430.538 0.373 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555995163 MZNKUQFUSXHPQM-OAHLLOKOSA-N 437.547 0.599 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1556636697 JLBNUDATQMPKPU-LJQANCHMSA-N 439.559 0.933 30 10 ICEE C=CCNC(=O)N[C@@H]1CCN(C(=O)CSC)[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 1616125032 BOOQBTGIAVNGPC-NUJGCVRESA-N 447.561 0.017 30 10 ICEE C=CCCO[C@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623708292 XAEPAPGMSQMDLX-QGZVFWFLSA-N 438.550 0.732 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)CC1 1632966352 MVFLXIMEOBNJES-UHFFFAOYSA-N 442.925 0.518 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1633414659 RRXCKQNSTWVOID-KEYYUXOJSA-N 443.435 0.218 30 10 ICEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OC 1637696871 KNEPDMWNQMHOJL-MRXNPFEDSA-N 438.502 0.786 30 10 ICEE Cc1c(Br)c(C)n(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(=O)c1C#N 1654530710 GENJVEINQLIEBK-UHFFFAOYSA-N 435.282 0.954 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)cc1 1687566207 SSDRKVSVIBDVCS-UHFFFAOYSA-N 434.500 0.822 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705569556 HTXOIAVIUBYNLM-LAUBAEHRSA-N 442.545 0.369 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705907191 DAYYHIXLNKGQKN-AWEZNQCLSA-N 443.533 0.383 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705928243 CEEDIAMDKOKWBK-CABCVRRESA-N 431.497 0.170 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722372248 SGIUTRDPENPMGL-MSOLQXFVSA-N 448.593 0.369 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCC(O)CC2)CC1 1722451137 XZDLYCUKSVFMMA-UHFFFAOYSA-N 432.569 0.627 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C1 1722719062 QCYHDMAIQIITCA-LSDHHAIUSA-N 429.543 0.163 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722727977 MFVWRBJZBMSLAH-ILXRZTDVSA-N 428.580 0.873 30 10 ICEE CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1729207881 CPYBGCQFZLOGCN-CYBMUJFWSA-N 438.535 0.433 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1740655396 AORVSEQTPLSOAB-SJORKVTESA-N 437.591 0.827 30 10 ICEE C=CCSCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1741004566 FKDYHBWCWYDHGX-KXBFYZLASA-N 425.555 0.801 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743780544 RPCYQPSTVDRJQP-VFAFWLKOSA-N 429.525 0.839 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748818637 CTDAZDJWKXSVNK-GOSISDBHSA-N 439.545 0.981 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749756263 VVFRKVLUDNJRQH-KFWWJZLASA-N 425.580 0.814 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760137127 OWVLHBGVXSAABX-QVKFZJNVSA-N 427.509 0.847 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760558417 OIORNUCABDKGAO-IBGZPJMESA-N 441.554 0.233 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1765642232 FVKQWBWUBMEIOP-UHFFFAOYSA-N 440.508 0.172 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CCO1 1767711894 CHPUBHLPUUOSQS-QYZOEREBSA-N 440.504 0.819 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CCC)CC3)OC2=O)CC1=O 1856739753 ZEDVIENSPSEZSJ-CVEARBPZSA-N 427.523 0.820 30 10 ICEE CCCc1ccc(CC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856835643 VLWBFHKKFGUPKS-IBGZPJMESA-N 432.546 0.780 30 10 ICEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)CCCNC(=N)N)sc2c1 1866115641 KNPYSDRURULCFN-LLVKDONJSA-N 425.540 0.290 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCc1cnc[nH]1 1870357064 XYLGBBXZZVPIMO-UHFFFAOYSA-N 429.521 0.866 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1891963900 MYNZUVNJQZMVMP-MRXNPFEDSA-N 445.505 0.453 30 10 ICEE COc1cnccc1N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 483216348 UMWOXAKYFFIAIM-UHFFFAOYSA-N 425.493 0.729 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 495831089 DWIUKNGTAFVRIO-FUHWJXTLSA-N 448.545 0.855 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 509010426 GDMBWQXYWDLSTM-HOTGVXAUSA-N 440.570 0.682 30 10 ICEE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCN/C(O)=C1/N=CC=CC1=O 731886644 ANZDJUFLISVOHG-NXVVXOECSA-N 446.407 0.626 30 10 ICEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c[nH]1 753359373 QEAZFQOJXRUBIY-AWEZNQCLSA-N 444.513 0.231 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc2c1OCCO2 837834994 CDIIJHAVAHECAA-HNNXBMFYSA-N 425.466 0.895 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CC1 1225880692 KASDCVOSPUSSLF-UHFFFAOYSA-N 431.518 0.987 30 10 ICEE C#CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286359628 GAJWQLRXBAGJSA-LJQANCHMSA-N 425.555 0.862 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286394721 PDDWVXMANSSILK-PMPSAXMXSA-N 440.591 0.853 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286395267 MKFNFOBTCSEDEJ-OAHLLOKOSA-N 448.574 0.840 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1288840029 FVTXSSITUCZOHB-FZKQIMNGSA-N 433.542 0.604 30 10 ICEE C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1291241590 QJMCCPWYUFYQKD-XLNHPTAMSA-N 429.481 0.369 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC=C)c1 1300332568 JGJNXGZPZLFSHT-QGZVFWFLSA-N 435.488 0.588 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1300663436 BTKUJOPSXPOORP-INIZCTEOSA-N 438.488 0.693 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)CC1 1300697690 HJYGSRWZKRZGKE-UHFFFAOYSA-N 437.504 0.748 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)CC1 1300725070 FULFUQYEYYQVQM-IAGOWNOFSA-N 435.550 0.325 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301497768 CZESLYPLMQRDPI-YCRPNKLZSA-N 445.524 0.636 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 1309801445 KJFBEVQGXKHFDJ-UHFFFAOYSA-N 440.862 0.161 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1455116304 XMHBPYUUDOYWHI-UHFFFAOYSA-N 438.550 0.249 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c1C#N 1470977720 DSNOCEJWKOTIAJ-IBGZPJMESA-N 438.536 0.728 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 1474681526 JNURLYYBLAHAON-UHFFFAOYSA-N 430.324 0.821 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633685 GIGQENQYTPJAOK-KRWDZBQOSA-N 430.534 0.369 30 10 ICEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507956819 SLBPAJAINRXVQW-INIZCTEOSA-N 440.504 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1508130018 FYQGGFCKAXETPR-UONOGXRCSA-N 435.572 0.104 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1519162423 GDRZUJURYHKLLS-IBGZPJMESA-N 434.522 0.565 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCN(C)C2)c1 1539046145 NWDFLSKSIWYZJP-QFIPXVFZSA-N 426.521 0.937 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1540171254 XMPWRLONXZNWBI-OAHLLOKOSA-N 426.543 0.268 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1540905129 QCGMKHXRDWKNKE-KGLIPLIRSA-N 434.609 0.723 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1540997756 IFHYFPDIXUZADM-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1COCCO1 1541675507 OJZUQXPKCPPWIJ-QGZVFWFLSA-N 440.508 0.425 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588752001 PIQJYWGIPKTTAH-ROUUACIJSA-N 439.582 0.582 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c1=O 1614708105 HFRFSNLHCHORIL-UHFFFAOYSA-N 426.351 0.088 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616184640 BFMSOYYEZIUQHO-MGPUTAFESA-N 431.497 0.658 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)n[nH]2)c1C 1626898416 XZAHWEFCNCRTMB-CYBMUJFWSA-N 434.522 0.451 30 10 ICEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1627854132 DSDLLNQJPYMMAK-HNNXBMFYSA-N 439.472 0.521 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC#CCO)cc2)cc1 1639534482 PGRABQOKCLZYST-UHFFFAOYSA-N 445.497 0.961 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690298408 WURHUJAKGAGWJY-QFIPXVFZSA-N 446.552 0.777 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1690675992 MADMGTAPUPJPNX-KRWDZBQOSA-N 439.520 0.936 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1705477078 IWFUCJZDTNLTBX-GJZGRUSLSA-N 439.563 0.820 30 10 ICEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1705873923 ZQEMJVKTWUSZEF-UHFFFAOYSA-N 443.533 0.920 30 10 ICEE CC(C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706307622 UYNVUEYWIVMPLY-DCOQFNDQSA-N 436.538 0.941 30 10 ICEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1706759671 UDXFJNWLHJVIMK-LHSJRXKWSA-N 425.493 0.907 30 10 ICEE CCOC(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1710363077 PQFBLTBEKKFCLQ-VLGSPTGOSA-N 429.481 0.960 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@@H]2CCOC2)cn1 1722275860 GPGHSXUUJUYTGN-HRCADAONSA-N 435.554 0.747 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722341881 NZDQHINJHCLKNC-HXUWFJFHSA-N 431.518 0.766 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1722413224 KAGNDWGCWZAASQ-WQIZZMQYSA-N 443.595 0.372 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722695257 XZOFHQOFSPSUOM-OAHLLOKOSA-N 449.533 0.888 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722706642 WIKIXJLJQJTXBU-HNNXBMFYSA-N 441.492 0.382 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CCO1 1729679145 HEIRCAVQGQSGJM-DYESRHJHSA-N 428.493 0.555 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1740671998 UGYKAQKIELJMRP-GOSISDBHSA-N 433.534 0.611 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1740683700 CQEQDXIZXPRQPS-SFHVURJKSA-N 445.545 0.961 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)OC)CC1 1740705841 NETQLPWIPBZGNH-MRXNPFEDSA-N 437.566 0.571 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1740941943 XFADETITMJXDPP-QGZVFWFLSA-N 435.550 0.874 30 10 ICEE Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1742839437 WHIPZJJNLBPIEA-CVTQAYBASA-N 429.525 0.802 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC#C)CC1 1749014292 GWXJTGRWDQSKLJ-KRWDZBQOSA-N 449.602 0.512 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccn(C)n2)CC1 1749015492 FNMSUHRPMQWSPK-UHFFFAOYSA-N 435.536 0.887 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC1 1749016539 GCNGKPSAGLOPQY-UHFFFAOYSA-N 430.534 0.274 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749140813 STRNTFHKVPLCEG-IEBWSBKVSA-N 448.568 0.969 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749730522 HKQBCCIPOWZLJV-HNNXBMFYSA-N 431.522 0.537 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760145554 QMIYXIMBXKHYAL-DLBZAZTESA-N 438.598 0.991 30 10 ICEE Cn1cc(C#CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cn1 1853274112 DQEHWCRQAZIWEF-OAQYLSRUSA-N 439.541 0.711 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2=O)CC1=O 1853849159 UBJDRSXJZAKFRQ-OAHLLOKOSA-N 435.502 0.398 30 10 ICEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN([C@@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1854952134 SWXKNZRRAJBBFE-RBUKOAKNSA-N 430.530 0.033 30 10 ICEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN([C@@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1854952235 SWXKNZRRAJBBFE-RTBURBONSA-N 430.530 0.033 30 10 ICEE COc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1Cl 1856192327 VNMDLWDPOOZMGB-ZDUSSCGKSA-N 440.909 0.696 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255877477 YVMSLNHVUCKRHU-KBPBESRZSA-N 434.302 0.486 30 10 ICEE C#CCCN1CCC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286041441 VBPZYMZBANLPGA-ZWKOTPCHSA-N 437.518 0.773 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2C1=O 532668373 OGNAHUBVEVONQB-LJQANCHMSA-N 448.479 0.801 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O 743725161 GVNBVYOAKIXDQE-UHFFFAOYSA-N 444.582 0.879 30 10 ICEE Cn1ccc(NC(=O)CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 791248129 IITVVTUUXCDVSQ-UHFFFAOYSA-N 432.506 0.774 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C#Cc2ccc4c(c2)OCO4)CC3)CC1 803416899 WXTSIFXOTLPZTD-GOSISDBHSA-N 449.511 0.730 30 10 ICEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccc1O 1084351014 CBWJQQVWDREYKY-UHFFFAOYSA-N 441.477 0.782 30 10 ICEE C#CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286359627 GAJWQLRXBAGJSA-IBGZPJMESA-N 425.555 0.862 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(=O)(=O)CC 1286374561 NZEJLVZDJQKUNN-UHFFFAOYSA-N 446.581 0.851 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1286411077 YOLVTGAUFNBHON-IEBWSBKVSA-N 446.577 0.168 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1286454714 OBYGYACYXSCNFM-RHSMWYFYSA-N 448.524 0.946 30 10 ICEE CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1286850655 HEWPHBBLYLKLAB-AWEZNQCLSA-N 437.570 0.887 30 10 ICEE CCc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1292526088 WIPQFRVDVDTFDP-VZCXRCSSSA-N 435.488 0.970 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301509673 LHHOGGFXRTXRKX-KRWDZBQOSA-N 445.568 0.392 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)[C@@H]1CCS(=O)(=O)C1 1318860559 SXBYDNRXFXYJSU-CYBMUJFWSA-N 441.462 0.445 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1359069964 CAUIZGZIZGGXGD-VQIMIIECSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359291227 IQBKLCNBWCSGSQ-SFHVURJKSA-N 446.600 0.323 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359302389 GBLCBDCODJSRKD-UHFFFAOYSA-N 433.520 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CO)CC1 1359336630 XDPJDOGVJWQDBH-IRXDYDNUSA-N 428.555 0.812 30 10 ICEE C#CC1(F)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1471609839 YPPYMDFPEGYCFH-UHFFFAOYSA-N 437.493 0.492 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1504939029 FJLKSDIXXFDDEX-MRXNPFEDSA-N 443.508 0.180 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630725 GMRCVGHYDIEMQK-OAHLLOKOSA-N 445.549 0.667 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1508090509 IXQRVQZLNOORKX-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(C)(=O)=O)C1 1508110428 SNRZCMWEGNPITF-CQSZACIVSA-N 435.510 0.256 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1509808875 VMKOKCZGFRUMFH-VHKYSDTDSA-N 449.487 0.749 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1517064389 COHPOFDTWKZUNC-ORIGZDJFSA-N 429.481 0.152 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521130410 VMFNDNWMGMFVNC-WBVHZDCISA-N 436.451 0.947 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1538974145 RDZXUNACSXOZSK-NXOAAHMSSA-N 426.587 0.846 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1539177675 ATPKMIHIFUOLSL-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1539202358 HGBIRBZPPAWIQP-ZOBORPQBSA-N 433.531 0.046 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539230240 FEGUUIKRJUBKPT-MHORFTMASA-N 438.550 0.808 30 10 ICEE COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1555417070 GCIPENZUFCSLOO-KSSFIOAISA-N 428.559 0.806 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCOCC2)CC1 1594192234 FZUFTKCFEVJRJD-CQSZACIVSA-N 440.570 0.573 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1595971570 RUUITIMCLAOVJT-STQMWFEESA-N 437.946 0.832 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 1630572160 NHOIXXFOBRLMIH-UHFFFAOYSA-N 445.339 0.623 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)ccc2c1=O 1636571236 ILIXOUYEORLORY-ZDUSSCGKSA-N 437.547 0.659 30 10 ICEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1636906484 DBDANYUNJNNWHH-UHFFFAOYSA-N 434.493 0.711 30 10 ICEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1641899045 ACSZZMNCTQIUQM-LJQANCHMSA-N 429.454 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)CC1 1682999540 BMAQDOMWGAMKMF-MRXNPFEDSA-N 445.586 0.865 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1689867218 QJGGCUAAHJXJRB-JYJNAYRXSA-N 426.539 0.400 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690175131 QJZUBNWOUJGQAC-CABCVRRESA-N 438.579 0.103 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690667613 ARZQLJBABKLIPV-MRXNPFEDSA-N 428.541 0.612 30 10 ICEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705520618 ADRIQGUVJPJWSA-SFHVURJKSA-N 447.499 0.679 30 10 ICEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705533311 KMKUHFXABMGGQS-UHFFFAOYSA-N 428.537 0.857 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)CC1 1705639822 XEUFSQCCFHJAJO-HNNXBMFYSA-N 435.579 0.338 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CS(C)(=O)=O)CC2)CC1 1705763092 OCQZHXGAMOBNQL-CQSZACIVSA-N 431.584 0.870 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1712883981 DFIYUOSRSJKNHZ-BEFAXECRSA-N 435.481 0.286 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1722275675 FXWNWVPJQISMHT-ARFHVFGLSA-N 434.570 0.749 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1722732519 LOZCDBKAEQNJSF-HUUCEWRRSA-N 430.600 0.328 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N(C)CC)CC1 1740702874 AQFFOXOKNJGWLU-QFIPXVFZSA-N 446.552 0.374 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740899713 GUJSEFUCNPOJTD-BXWFABGCSA-N 441.554 0.571 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC1 1748989919 RPUXUGDAWRCADE-INIZCTEOSA-N 448.524 0.549 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749664633 UXMLNACIZWLMMW-UHFFFAOYSA-N 433.538 0.503 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749683340 QCUGVKNZVJSGAK-GOSISDBHSA-N 445.568 0.566 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1760189295 HHBRKPMJDXYYBI-SFHVURJKSA-N 430.534 0.417 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760554329 ZYMWMJCIBMCFKA-INIZCTEOSA-N 449.581 0.973 30 10 ICEE C[C@H](COCc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247875711 AXPOVRHIKNXRFI-CQSZACIVSA-N 436.343 0.998 30 10 ICEE CN(CC(CO)CO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282314334 XZRLCMQWBOPANT-UHFFFAOYSA-N 425.765 0.922 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 464948950 GJLSPGCSJMFJCP-MRXNPFEDSA-N 428.541 0.511 30 10 ICEE CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 503629747 PZXAQALOFJGWGJ-CQSZACIVSA-N 428.536 0.397 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 560201827 AIAXSULKFAUYER-UHFFFAOYSA-N 448.526 0.908 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 589159827 VIVHMRPAUHFJCT-UHFFFAOYSA-N 433.436 0.869 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 603826442 GOBLRSKVDWOXMD-CYBMUJFWSA-N 435.452 0.939 30 10 ICEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706085 DOJRDPQCKAKEFB-WMLDXEAASA-N 449.533 0.137 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 765810195 QVUQXVLWHOIUHM-UHFFFAOYSA-N 428.581 0.687 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 1141056294 OYURVEGEUDYEEC-HNNXBMFYSA-N 425.507 0.556 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1254487713 COIJXZYWUIWBIL-HZPDHXFCSA-N 441.550 0.541 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286483549 PFVDDGKTBUBFNF-GOSISDBHSA-N 448.618 0.967 30 10 ICEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1286823038 KIPCMLGSCQUYPL-AWEZNQCLSA-N 431.522 0.796 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1297992204 DESKRIWWXURTNQ-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300495065 CIQXNALIWHXNCI-HZPDHXFCSA-N 426.564 0.607 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507633566 TUHUVWDEOSKOHO-OGNFBWPZSA-N 438.550 0.686 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1507652299 FLQSFQUTJLTVIO-UHFFFAOYSA-N 442.549 0.074 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1507653360 NEFQQYCCPGSFBY-RBUKOAKNSA-N 448.593 0.416 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1507772574 LQIZDCPJOZRRRI-DBVUQKKJSA-N 437.566 0.764 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1508273044 BQGSEVQSPOAAHT-QFIPXVFZSA-N 442.568 0.808 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1517598529 AXNMEHONXCLQDH-HNNXBMFYSA-N 425.449 0.506 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCS1(=O)=O 1519403025 BTGCCEWGOFALFW-JYJNAYRXSA-N 426.543 0.776 30 10 ICEE C#CCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCS(=O)(=O)C1 1520935668 VAUBBJRYYOFWEW-GJZGRUSLSA-N 427.523 0.103 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ncc(I)cn2)C1=O 1527301501 GSOAHSMKOIDUSK-UHFFFAOYSA-N 429.174 0.021 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCCCS2(=O)=O)cc1 1534146778 MUEWJVIENBUIGH-MNDPQUGUSA-N 428.536 0.864 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2nnn(C)n2)c1 1539040540 VYRHAWJNEQTAMO-UHFFFAOYSA-N 430.476 0.912 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1539145139 FYYOFRZRSMJPAD-UHFFFAOYSA-N 439.501 0.885 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)NCC)CCC1 1539296969 WRGDAXMCFAXGKG-INIZCTEOSA-N 434.566 0.658 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H](C)C2)CC1 1539429732 CCMLJVXJAPHELO-QZTJIDSGSA-N 437.614 0.375 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539744378 KAMQUSYJTGYAGG-IRXDYDNUSA-N 432.525 0.650 30 10 ICEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1542392398 GQUWWTLDBYODCU-VQIMIIECSA-N 449.512 0.805 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(CC)CCN(C(=O)c3ccccc3)CC2)CC1 1558073520 VAEKGECXXMRWEL-UHFFFAOYSA-N 446.573 0.931 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1593746804 NPNHCJVADLIBAV-IAGOWNOFSA-N 443.570 0.676 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)cc1 1640128224 GRKISNZMGYUHGB-QRVBRYPASA-N 425.489 0.821 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1648155919 RNNPETCNKPEKIS-HWLIBYHHSA-N 437.518 0.365 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 1682166878 BNMVNIKYBYEAQA-SFHVURJKSA-N 441.540 0.529 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689986387 OLUMAZFAKSTOMT-WBVHZDCISA-N 449.558 0.402 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690136754 JFPLIIQHECZHDC-FQEVSTJZSA-N 437.566 0.091 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCCC1 1692799401 HAFVHLKUVNHUGG-HOCLYGCPSA-N 426.543 0.966 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1705582970 NULZFECSSDNZND-LMMKCTJWSA-N 449.577 0.887 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1705612474 HKQBKIMGIRJFQK-ZDUSSCGKSA-N 439.460 0.997 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909469 XXXQTOUAZFKCSP-SFTDATJTSA-N 435.525 0.617 30 10 ICEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1708819038 WUNLGBOGGSCQKC-QGZVFWFLSA-N 437.504 0.515 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1722367236 VPRVRGAVBUDVES-XLIONFOSSA-N 440.566 0.982 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)n1 1726123159 HNARDNQELIFYGH-HXUWFJFHSA-N 441.584 0.895 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1729222308 PJAUXSLUDKDWMI-FQEVSTJZSA-N 446.533 0.752 30 10 ICEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1O 1731136754 QCWQYPSDOORPQD-LIVBEALHSA-N 431.518 0.573 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@@H](C)CC 1740640585 QNLVDVLZDPVZGZ-ABSDTBQOSA-N 437.566 0.481 30 10 ICEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740873694 FBJGTKZICIMIDU-GOSISDBHSA-N 446.552 0.993 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740961452 CVMPDISVZFXGOJ-UHFFFAOYSA-N 447.565 0.426 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748817719 OZIIMCOQTRXUDQ-LVQVYYBASA-N 426.564 0.463 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748823820 BYVCSKBUIFZFIE-QGZVFWFLSA-N 446.533 0.980 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCOCCCO)cc1 1750384733 MGYRUKCRWXKKOV-UHFFFAOYSA-N 435.506 0.363 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC(OCC)C1 1760234243 UPVXYVXABNHGNO-WUJZJPHMSA-N 441.554 0.001 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)CC1 1760251471 BDZXBZIGNUEJCC-LJQANCHMSA-N 430.553 0.855 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760307346 PTVWEWYVJAYBGD-BLLLJJGKSA-N 444.355 0.948 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1760316414 RGAZSLWOTMFMSV-ZNMIVQPWSA-N 431.584 0.438 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760524886 MHIZOZVUZKFTHA-MRXNPFEDSA-N 434.447 0.401 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1771343782 LBIIGJOMRNZSEP-HUUCEWRRSA-N 430.490 0.356 30 10 ICEE C=CCN1C[C@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)CC1=O 1850202964 DVLCLNJAMFAUTM-MRXNPFEDSA-N 438.463 0.931 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1F 1854935252 OKCGHNLSFYTLFW-AWEZNQCLSA-N 438.481 0.572 30 10 ICEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232515 LRDUCCBTIRBOMU-UHFFFAOYSA-N 448.505 0.151 30 10 ICEE C=CCn1ncc(NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234025473 KQQHALXPALBUEU-YRGRVCCFSA-N 445.314 0.945 30 10 ICEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(O)cc2O)OC1(C)C 2256013696 HYRPPSCLVITWJH-UHFFFAOYSA-N 430.188 0.900 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 2282856248 PPGJYMHDVSOLJB-ZDUSSCGKSA-N 427.332 0.635 30 10 ICEE C=C[C@@]1(CO)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286050285 ZZKXIOAOZKXDDA-VQIMIIECSA-N 442.490 0.034 30 10 ICEE CC(=O)O[C@@H]1[C@@H]([C@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@@H]21 106380724 ASSGEEKBKJCWQS-CWIFOLKKSA-N 444.458 0.996 30 10 ICEE C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1CCO 426483560 CXHMVQGKPRTDLZ-INIZCTEOSA-N 428.493 0.453 30 10 ICEE COCCCS(=O)(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 432912840 NQDXHNQOZOOKLJ-OAHLLOKOSA-N 426.520 0.354 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 492290971 PJVQPBDKTKMCCY-MRXNPFEDSA-N 428.489 0.257 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)CC1 728531449 JLYULCBRFCFOKM-HOTGVXAUSA-N 442.516 0.806 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729334068 HRIIMSAPLVDEBN-QGZVFWFLSA-N 433.511 0.567 30 10 ICEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCNC(C)=O 730137680 GYQQMCMZZHZVLY-QGZVFWFLSA-N 435.550 0.831 30 10 ICEE O=C(CN(C[C@@H]1CCCO1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 744378906 HBAGCHURSRTSNY-HNNXBMFYSA-N 434.518 0.355 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)c1cc[nH]n1 772206471 FIJVFQKNPJSILE-OAHLLOKOSA-N 448.524 0.285 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cn2)CCN1C1CC1 773249151 KGIBLBWISHCSLF-GFCCVEGCSA-N 425.230 0.823 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@@H]1CCS(=O)(=O)C1 774238365 YRDKGMMAWVTOBI-OCCSQVGLSA-N 439.515 0.472 30 10 ICEE Cn1cc([C@@H]2[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC(=O)N2C(C)(C)C)cn1 795094192 ZQZXOPHXGYZXED-KOJDKOHJSA-N 428.493 0.751 30 10 ICEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1192080293 KREGNDOCZPCEBC-GOSISDBHSA-N 448.545 0.807 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389898 SIVQZDXHQMWROT-INIZCTEOSA-N 445.549 0.524 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286611884 QDHGBAQESDHDTF-KRWDZBQOSA-N 434.541 0.548 30 10 ICEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300381392 DMVAAQQIMYKVBT-UHFFFAOYSA-N 445.568 0.783 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)CC=C)CC1 1300708476 SRLZLTOGUUOLBR-UHFFFAOYSA-N 431.566 0.496 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1Br 1306455597 ZFPQZVSGOKKNFM-ZIAGYGMSSA-N 428.308 0.236 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCC2)CC1 1359040388 SIHLBKBJTUXJDD-UHFFFAOYSA-N 441.580 0.964 30 10 ICEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359210388 RUHQJEDCSRIRLR-INIZCTEOSA-N 425.449 0.967 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507630330 XAUICMJRRIAAAZ-GQIGUUNPSA-N 433.534 0.450 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCS1(=O)=O 1516539156 MJQQLDCLZLPJAU-UHFFFAOYSA-N 447.521 0.385 30 10 ICEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547261497 LACOVYFMGNEPIJ-IEZWGBDMSA-N 431.541 0.705 30 10 ICEE N#CC1(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1558775707 CJIRJFVGHXONDJ-HOCLYGCPSA-N 427.910 0.900 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1595918776 GQBNKNWUWWRRHV-UHFFFAOYSA-N 448.505 0.629 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)s1 1617157305 BINWARYXQVZBFM-UHFFFAOYSA-N 441.556 0.992 30 10 ICEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C(=O)OC 1638826244 IKBMRRIYERLBJT-OAHLLOKOSA-N 440.474 0.019 30 10 ICEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1686548404 IXPUMQHKIVXJPE-UHFFFAOYSA-N 446.485 0.607 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1689876920 MHBNTNYPBUXLCS-QZTJIDSGSA-N 438.598 0.850 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690742137 HONOIOXKVVUPHS-ZBFHGGJFSA-N 447.565 0.915 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1705552159 WCKCWAPXKBJXCZ-NQIIRXRSSA-N 445.545 0.514 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1705565957 LBRNNARLTHXMQP-JKSUJKDBSA-N 444.579 0.581 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705893779 FWXDKESCKYKMEK-HNNXBMFYSA-N 447.540 0.920 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC=C 1722283002 PUIVUCCZWUJUCA-OAHLLOKOSA-N 426.506 0.980 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1722352840 QAYZXARXGIDBKG-CRAIPNDOSA-N 442.611 0.118 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1722414135 WEZIHZWIZSFAFI-QGZVFWFLSA-N 438.598 0.945 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722692369 JZWQBADCJZEMLZ-QFIPXVFZSA-N 447.584 0.800 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722703818 ITNZKZHAKFRLTQ-VXKWHMMOSA-N 448.568 0.533 30 10 ICEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1730889042 ZUUPDXHNBFSNMX-CVEARBPZSA-N 427.465 0.426 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1731183663 UXVIPAVMYIMXAP-ACJLOTCBSA-N 436.469 0.532 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748815509 QYVNMZSFRUKEBJ-OLZOCXBDSA-N 449.562 0.318 30 10 ICEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1750217462 AVEBJWBMVRJNKN-KJEZJMDVSA-N 429.506 0.955 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760185659 AOQTVBGAXXUODN-MRXNPFEDSA-N 445.611 0.431 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1760186278 LQYWFMFLGZUHBL-GOSISDBHSA-N 434.566 0.995 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1760552468 OYMSCFAQHCFUBQ-UHFFFAOYSA-N 435.554 0.132 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1771358665 OQEJPOZKHBYDDR-UHFFFAOYSA-N 437.547 0.447 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247840670 QUJSMCGWQUKXTB-AIEDFZFUSA-N 426.319 0.926 30 10 ICEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286035321 VMURJRIBJDILJL-ZWKOTPCHSA-N 438.502 0.898 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)C2=O)n(C)n1 409904470 DYIUPXBIPJLIEK-JKSUJKDBSA-N 425.497 0.093 30 10 ICEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C#N)c1C 426369363 DVDBDMQYSMNGLO-UHFFFAOYSA-N 427.552 0.370 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462767424 XTZBGOBNBSKQHU-CQSZACIVSA-N 447.492 0.912 30 10 ICEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)CC#N)CC1 503624817 AWUPPRDCNMAQTI-OAHLLOKOSA-N 442.538 0.810 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 727415733 YPPZIYHMNHTULU-UHFFFAOYSA-N 430.530 0.110 30 10 ICEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 730143857 DXCAEIQSLSRPOM-ZFWWWQNUSA-N 437.570 0.427 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 732152585 DJWQBKNOLAUXJL-JLUOLNIDSA-N 446.529 0.871 30 10 ICEE C#CCN(C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774161074 CBSNEFJRSZSCNG-INIZCTEOSA-N 437.518 0.542 30 10 ICEE CCC1(CC)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 779366811 RLNQNJQZPQLLSQ-UHFFFAOYSA-N 427.548 0.931 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 803697971 ZDUDVCPBIDBCNL-UHFFFAOYSA-N 432.498 0.530 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)c3ccccc3C)CC2)c1=O 917445287 DAFFMAVLLWJYPP-UHFFFAOYSA-N 439.516 0.704 30 10 ICEE CCOC(=O)c1ccc(N2CC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)nc1 1234032425 BYZITSNSFMJBAM-LIRRHRJNSA-N 433.490 0.027 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286786612 VNXKVUQFGZAPHV-HOTGVXAUSA-N 431.541 0.664 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc[nH]n1 1293982984 ZGKSHABRGRHDAN-OAQYLSRUSA-N 429.477 0.447 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300545299 NFHQHCMJOKXQPM-GOSISDBHSA-N 429.550 0.494 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[S@@](=O)CC)CC1 1300729263 SPCTYCJOADKNKT-PMERELPUSA-N 434.566 0.135 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCN(C)C2)c1 1358901968 BQJINRGLWPUBMM-WZONZLPQSA-N 438.532 0.905 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359299244 ZSTPTNYLAGSPRH-LSDHHAIUSA-N 447.540 0.977 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1439618163 VRDVJLXXMADGCW-WWMYMODYSA-N 431.514 0.701 30 10 ICEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc1OC 1449497249 YDDIEKSLPHJKTL-UHFFFAOYSA-N 431.536 0.990 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1471252338 OXBHZAYJLUHWHF-HNNXBMFYSA-N 443.909 0.788 30 10 ICEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 1473838064 REHMPFBXSSLYPY-SFHVURJKSA-N 437.478 0.042 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1507660205 OHCVDELJGUWGQV-QGZVFWFLSA-N 448.593 1.000 30 10 ICEE CCc1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513865194 KFDSRIUUYVMITN-VHEBQXMUSA-N 442.524 0.751 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539225421 NXBGMMQLTOZVJV-GOSISDBHSA-N 444.561 0.663 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)nc2)CC1 1539875197 URWFPMNWWUAVEN-CYBMUJFWSA-N 433.538 0.833 30 10 ICEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1547706348 KWMBXYACMAJIBR-WCIQWLHISA-N 447.584 0.757 30 10 ICEE C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1565049697 IMKUJLCIOXLENG-HOTGVXAUSA-N 429.539 0.843 30 10 ICEE COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1566438664 FHOCDGGCJHPGLW-AWEZNQCLSA-N 435.234 0.956 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1588139216 NPYCNSMTLKDNGO-MRXNPFEDSA-N 437.591 0.970 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CC[C@H](O)C2)cc1 1632509569 QOJIRLXJWKYKKP-SFHVURJKSA-N 442.541 0.998 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 1682166877 BNMVNIKYBYEAQA-GOSISDBHSA-N 441.540 0.529 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1694271450 HJPAWNDYBFOPTG-DCGLDWPTSA-N 429.522 0.635 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1705612546 IXLIMVFLJRFBHC-MSOLQXFVSA-N 438.598 0.802 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705932085 KQCZOPDNWNNECQ-UHFFFAOYSA-N 435.554 0.084 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1722295509 LBFBIZQVGOVURD-KDOFPFPSSA-N 448.549 0.984 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1722372990 CJIYCVXXPFZZRI-NRFANRHFSA-N 425.493 0.603 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722702046 JBOPVRQLKGASFY-NRFANRHFSA-N 432.525 0.477 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1740709518 OGSBQUVNLJDJDJ-ZIAGYGMSSA-N 428.584 0.312 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1740900088 LSYSJYHHECCICD-GFCCVEGCSA-N 427.556 0.695 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1749682956 DTKAEXPABMUUPJ-HLLBOEOZSA-N 434.541 0.450 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1760189592 VLWPGIJRRBYOLL-HOTGVXAUSA-N 431.522 0.143 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)CC1 1760265078 NHAPJDLKITWPLQ-GOSISDBHSA-N 444.536 0.285 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1769380796 BUBYQKYBNPOVJL-UHFFFAOYSA-N 449.585 0.365 30 10 ICEE COC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769492863 YEAFARMJFSWNJO-ISLYRVAYSA-N 431.497 0.891 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1772567122 OBWATWCJMTWHSL-HZPDHXFCSA-N 440.570 0.588 30 10 ICEE C[C@@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)n1nnc2ccccc2c1=O 1851738885 AVLCHURFRCPJKK-INIZCTEOSA-N 433.472 0.985 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627321 QWUJXFYOXQHVPS-STQMWFEESA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255848956 ISXGOQCAIYIPQL-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267884289 OHKGFCYIYRKDRU-KBPBESRZSA-N 448.329 0.876 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2298378687 QUJSMCGWQUKXTB-QKGCVVFFSA-N 426.319 0.926 30 10 ICEE C=CCOC[C@@H](O)Cn1c(NN=Cc2ccc(OC)cc2)nc2c1c(O)nc(=O)n2C 2328607881 NQAVCNCYALMFBH-AWEZNQCLSA-N 428.449 0.854 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 473162549 GOHFSIPCNQVFOT-HNNXBMFYSA-N 449.533 0.269 30 10 ICEE COCCn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)C1CC1)c(=O)n2Cc1ccccc1 505970792 LEXXXHWKTWUIIF-QGZVFWFLSA-N 436.472 0.473 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C)CC1 507926822 YINQWTOQXPSXDT-UHFFFAOYSA-N 436.520 0.636 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 543149427 VSHBHHTTWYFXIR-LBPRGKRZSA-N 441.538 0.761 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2ccc(OC)cc2)CC1 758664215 YIMXVCASGXFJMS-UHFFFAOYSA-N 430.534 0.689 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cccnn2)C1=O 766416286 OKPIDOPBSDTJMQ-YQMDHOPXSA-N 441.561 0.982 30 10 ICEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C(=O)OC 1141995412 PJKSAIHTADTMRM-AWEZNQCLSA-N 440.474 0.538 30 10 ICEE C=C(CO)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1162990706 YMLSQVZGTDDQNH-UHFFFAOYSA-N 426.495 0.822 30 10 ICEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1214199412 JGEUEUZGHUJHBU-MRXNPFEDSA-N 437.566 0.585 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1286280309 WZZSKCDAECPHOX-QRWLVFNGSA-N 433.534 0.805 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1286409015 HSBNZZMBBBIFEJ-QGZVFWFLSA-N 435.550 0.643 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286809782 LDAJJLDKSHTJJI-XHSDSOJGSA-N 437.566 0.876 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CC[C@]2(CCOC2)O1 1288773648 PWODJTUVMOIUEO-BASYENTBSA-N 426.543 0.965 30 10 ICEE C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1291167717 UAONEQNYBGQWHS-UZAQASBGSA-N 448.549 0.941 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCOCC2)CC1 1292133203 GZDLWBZMSZYPIY-KRWDZBQOSA-N 431.541 0.790 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300495295 GDFACMQLTSTASW-AEFFLSMTSA-N 447.565 0.560 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300501737 NFERKQZHPIUHSO-CYBMUJFWSA-N 433.456 0.536 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1300578741 OCIWATVZRKLZLE-LJQANCHMSA-N 442.545 0.712 30 10 ICEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1314452734 WIXPUTNRWSPQJR-GOSISDBHSA-N 437.504 0.780 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1358978388 LIIMZUYNXRBMLM-HNNXBMFYSA-N 430.534 0.606 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359075834 HQVZUSSCPFUFIH-UHFFFAOYSA-N 449.375 0.797 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1359089731 OAMRUVKXIPWENR-QFBILLFUSA-N 446.552 0.966 30 10 ICEE C#CCN(C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1464383232 OFKKQMODPODEBG-KUHUBIRLSA-N 425.507 0.791 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1478654991 LMRITFSSIDWZRQ-ZBFHGGJFSA-N 436.490 0.377 30 10 ICEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1503276865 FJYRWNPGOJRMGV-UHFFFAOYSA-N 432.554 0.934 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1508144354 DBVSBANTNSBMCR-HNNXBMFYSA-N 427.552 0.521 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1519450402 OTETUNACMUMKNQ-ZNMIVQPWSA-N 425.511 0.308 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1539012259 FIGLYHHJIMKBEM-YPMHNXCESA-N 425.540 0.277 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1539538445 IHBCLBBLHCCKHC-OXJNMPFZSA-N 438.598 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1540903771 GRKRXCDBRAFZJR-MRXNPFEDSA-N 432.550 0.957 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1541926861 ZQOISHOXKIGSIO-DZGCQCFKSA-N 437.570 0.933 30 10 ICEE O=C1CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1556030325 CXPOPZPQPILEAC-VXPUYCOJSA-N 439.451 0.471 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 1563459072 JYHRUOQNBJQDKC-QGZVFWFLSA-N 427.596 0.926 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584122607 QBKQZADMZQNNLA-UKRRQHHQSA-N 428.308 0.685 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588054092 KPXGOCOWFIBIBN-ZIAGYGMSSA-N 445.492 0.528 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588848238 BCIRUSCHKHYQKZ-LJQANCHMSA-N 443.577 0.301 30 10 ICEE COCCOCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1654917160 FXCKWLFVDUQXAS-JOCHJYFZSA-N 447.555 0.815 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1690497505 RPTASQLBSICQDE-CRAIPNDOSA-N 429.543 0.477 30 10 ICEE CS(=O)(=O)CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698309613 RHSXNLACNRJKKV-DLBZAZTESA-N 438.554 0.367 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705532602 CLMJVYNKXSBKON-ICSRJNTNSA-N 435.532 0.991 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1706830702 MQIHHGJKLLTWGK-UWZWCOGJSA-N 438.554 0.971 30 10 ICEE C#CCCCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OCC)CCOC1 1722338421 IRLHWNBGLSZQDV-QFBILLFUSA-N 425.555 0.862 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1722381269 MPFQTRNHGSHYCE-DYESRHJHSA-N 428.562 0.510 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722560318 VZRPGRQUOKPIST-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1740685189 BWLWWOVNWPYIRR-HNNXBMFYSA-N 429.543 0.122 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743773746 YRUOAKLYZJLWLQ-MEUCICPISA-N 445.524 0.613 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748821702 SYOGHOXBXDWALA-INIZCTEOSA-N 443.595 0.185 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1748859385 SMMWJFHEWLUDRL-GOSISDBHSA-N 449.577 0.769 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1749599597 HNYLUQLRFMLCPX-HNNXBMFYSA-N 446.595 0.786 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1750917650 VXPAZXADAZFJNG-DXQAYGFFSA-N 445.524 0.948 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751018166 LSEOHGXGTYVDRH-VQTJNVASSA-N 446.487 0.914 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1760116676 IYCQTKREKPHGEW-ZIAGYGMSSA-N 437.526 0.257 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1760188685 QHUQMSZIROWYKW-OAHLLOKOSA-N 429.568 0.112 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1760373756 BJVGHHNBJQHYQU-PBHICJAKSA-N 447.945 0.359 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(S(=O)(=O)NC)c1 1760455899 BZHUGUBHTMESPQ-CYBMUJFWSA-N 442.567 0.467 30 10 ICEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769931819 QFMIBKSFBCCJIJ-IVCWUWDKSA-N 445.524 0.480 30 10 ICEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(CO)CC2)cc1=O 1870560252 NVFYCSWKVSKHGV-UHFFFAOYSA-N 445.541 0.760 30 10 ICEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN3CCOCC3)C2=O)cc1 96567147 JJSUEGPKKARQSH-JOCHJYFZSA-N 430.505 0.857 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)cc1C(F)(F)F 547917145 ULHMCRJYTQCZFJ-JTQLQIEISA-N 426.394 0.839 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 553583968 ZCJIINWIPQTVMY-HIFRSBDPSA-N 428.536 0.155 30 10 ICEE CN1CCC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)(N2CCCCC2)CC1 589433384 LJJORQYIAPKNAX-UHFFFAOYSA-N 433.578 0.903 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 590914084 VXAKZPIGFZJQRH-WMLDXEAASA-N 445.516 0.882 30 10 ICEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 737199565 VWIFZUNNAJHJPD-SFHVURJKSA-N 425.489 0.605 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@@H]1CCCO1 753360886 XLPBNRLSAKWLKE-AWEZNQCLSA-N 444.513 0.233 30 10 ICEE C#CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 774050704 AHQHCROYHKUZNA-UXLLHSPISA-N 437.522 0.173 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CC1 849520796 ABGIKIPBPLUAFZ-SFTDATJTSA-N 428.581 0.518 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 1152974279 RCQWSTIHHJJGHN-OAQYLSRUSA-N 432.546 0.541 30 10 ICEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291167718 UAONEQNYBGQWHS-VAMXVVNJSA-N 448.549 0.941 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCNC2=S)c1 1291629171 RVLAXUUYEMIMEV-RCCKNPSSSA-N 437.547 0.935 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)OC)CC1 1300711809 HQJSOOMOFUSMDG-ZBFHGGJFSA-N 440.570 0.279 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1314675246 IDORZSWIGMHPAG-MRXNPFEDSA-N 443.533 0.970 30 10 ICEE CSC[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1349455364 AGVWJFINNRDKGW-KCQAQPDRSA-N 446.533 0.963 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1358959997 UJTLDQXGBSDKDY-HUUCEWRRSA-N 448.936 0.899 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)COC)CC1 1359040818 GZYAUGSQQFLQHS-HUUCEWRRSA-N 440.570 0.137 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1359151702 YVVOQOJATHHGFG-ZDUSSCGKSA-N 448.977 0.714 30 10 ICEE N#CCCN1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 1454912092 WIGHZWWQWHPCMU-UHFFFAOYSA-N 437.245 0.938 30 10 ICEE C#CCN(c1nnc(COCC)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507636532 AEFMPZUHOPZYHH-YVORESIASA-N 430.596 0.989 30 10 ICEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507905511 VRBXLKKPNFZPSM-UHFFFAOYSA-N 437.566 0.743 30 10 ICEE CN1CCn2nc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc2S1(=O)=O 1539385736 FCRYEQJQVVPOQE-KRWDZBQOSA-N 432.481 0.679 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N2CCOCC2)CC1 1539481299 KSNYESSPSPIQOE-GOSISDBHSA-N 444.536 0.344 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(S(=O)(=O)NC)c2)s1 1540814385 BONYSQWHPFJLOT-UHFFFAOYSA-N 443.572 0.979 30 10 ICEE CNC(=O)NC[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1558056357 MFVVIDPJPWBSFQ-HNNXBMFYSA-N 436.310 0.913 30 10 ICEE C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1587121967 BNQCXGFTFJSCMO-MJBXVCDLSA-N 425.532 0.682 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 1588199206 JDCDHOBUXOUAOR-UHFFFAOYSA-N 429.424 0.667 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595466512 KFSQZLBRPIADAO-HNNXBMFYSA-N 432.529 0.055 30 10 ICEE COC1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OC(C)(C)C)CC1 1607489617 RAADRTLEGYZHSR-UHFFFAOYSA-N 433.465 0.620 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCO[C@](C)(C#N)C2)o1 1617895983 UPYSJICWTQMMER-FZKQIMNGSA-N 425.463 0.750 30 10 ICEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1620532276 GMXRNCGAUNMDGD-QRQCRPRQSA-N 430.505 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 1632960190 CKVJFQNSRHTEMS-UHFFFAOYSA-N 437.547 0.077 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 1641546342 MZEIHEFDMGMQNH-UHFFFAOYSA-N 442.339 0.541 30 10 ICEE COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 1655366250 NCFIZHYIYLUOLD-CYBMUJFWSA-N 426.495 0.661 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1682385017 PSNKOBXUCRRJOQ-UHFFFAOYSA-N 444.561 0.317 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690675002 NFEATZMGYYDTGH-UHFFFAOYSA-N 447.540 0.760 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705899371 QFLZJIFGAPDEIN-HNNXBMFYSA-N 443.533 0.589 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1706889349 ODMLSLYZXHUXRS-LBPRGKRZSA-N 443.480 0.788 30 10 ICEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722523379 QLERFAGSMZUASF-KRWDZBQOSA-N 432.525 0.256 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1722588040 IMXUIJKJWMYTOZ-GJZGRUSLSA-N 442.586 0.913 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1724009157 BZEWLIGKYZGCFK-CRAIPNDOSA-N 438.554 0.656 30 10 ICEE O=C1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1731222179 RNPIBKURUGRIHJ-FMQUCBEESA-N 436.476 0.117 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1740622584 DUPTWGJLRWLHIT-SJORKVTESA-N 428.518 0.494 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1740990918 JPSKNJBFSXGWOV-IRXDYDNUSA-N 436.582 0.895 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1748891714 DWFFYILIBAZFRQ-MSOLQXFVSA-N 449.577 0.889 30 10 ICEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)CC1 1748986708 HUOSNILWZXORRA-UHFFFAOYSA-N 427.534 0.731 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760144820 BOHPUXJHWWQXDE-IRXDYDNUSA-N 435.554 0.712 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1760175699 PLCNUKHLRBWUJU-INIZCTEOSA-N 436.538 0.978 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760188150 IOOJJXRDQQLGTH-HKUYNNGSSA-N 434.610 0.808 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760514890 NSNJZWXVMUYGJD-UHFFFAOYSA-N 434.545 0.349 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(C#N)c4)CC3)ccc2n(C)c1=O 1848888491 VSWWWSKQYGNPRD-UHFFFAOYSA-N 439.497 0.620 30 10 ICEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)c(C)c1Br 1854813975 LTBIROAENYPCOY-NSHDSACASA-N 429.296 0.987 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)CC1=O 1854935859 UIRHQBFEOUEPFE-MRXNPFEDSA-N 426.445 0.453 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)CC2)CC1 1889344487 RISSPOJYQFPXDP-UHFFFAOYSA-N 446.983 0.825 30 10 ICEE CNS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282425744 TUPMIUTUWOSCBV-UHFFFAOYSA-N 444.793 0.528 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCCC12OCCO2 2282855807 JOYKVXHQXNJYPN-CYBMUJFWSA-N 427.332 0.683 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2298372585 QUJSMCGWQUKXTB-ARILJUKYSA-N 426.319 0.926 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C#N 474361403 ZHLOCYYYYAKHRT-UHFFFAOYSA-N 445.504 0.740 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477027321 UTFMBILKXJMPRB-CYBMUJFWSA-N 433.515 0.577 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC(C)C)CC1 508825230 DKOPVTYGBXXJEH-QGZVFWFLSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 524496467 QEWRWJLFRIEHAY-INIZCTEOSA-N 437.566 0.627 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3c3c(C)nn(C)c3C)CC2)o1 537853132 VQRUTSHJHZDHOO-GOSISDBHSA-N 427.509 0.927 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671352 HFHMUAPTIKUNIS-INIZCTEOSA-N 435.509 0.542 30 10 ICEE O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCN/C(O)=C1\N=CC=CC1=O 731862575 HHHXSEKPXWZDEL-QZQOTICOSA-N 446.529 0.876 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cn1 735069473 VXRHNORSERFFKW-UHFFFAOYSA-N 439.472 0.527 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 735173093 PIYMAEPXILPOMK-HUSAPJIJSA-N 443.551 0.655 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1Cl 742142891 BMUWSSWOZIBSSX-UHFFFAOYSA-N 430.917 0.931 30 10 ICEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767953159 PKFANYQASGKARK-KRWDZBQOSA-N 443.525 0.661 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771298282 UVSQTSHTAUFAGY-VFNWGFHPSA-N 447.513 0.420 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 774254657 WAPPLSJRKGETAR-CQSZACIVSA-N 433.577 0.475 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cn(-c3ccc(C(F)(F)F)cn3)nn2)C1=O 776389861 RPGOPGPRKFPQBI-UHFFFAOYSA-N 438.322 0.701 30 10 ICEE C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 809148014 APBJJBNGNAULFV-UHFFFAOYSA-N 434.562 0.412 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839379590 QQHRACJSZKYPRU-UHFFFAOYSA-N 448.508 0.187 30 10 ICEE COC(=O)CCN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1152128861 PFWNQCYAYBOVSJ-QLFBSQMISA-N 443.522 0.572 30 10 ICEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(CC(N)=O)c3=O)cc2)cn1 1256376749 NZPQDUUZQYTTIW-UHFFFAOYSA-N 447.520 0.668 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286820888 UOYQJBXTCOUVIV-IAGOWNOFSA-N 441.554 0.462 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1296328952 GULKNGMPHICAMU-ZWKOTPCHSA-N 446.533 0.750 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 1297649220 AWUHVSUYSZJLNZ-UKRRQHHQSA-N 449.620 0.979 30 10 ICEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 1298075579 HXJPCVPVDFYIQC-UHFFFAOYSA-N 436.511 0.697 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1301967733 FZJVCOJTLDVZGZ-KBPBESRZSA-N 429.568 0.601 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1316336544 MUKSOOWLVZZACZ-GVDBMIGSSA-N 447.517 0.617 30 10 ICEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359288572 LPGKMSYOYYFUED-UHFFFAOYSA-N 431.566 0.801 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359302707 QXTRKVDKISDNQE-HNNXBMFYSA-N 444.565 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359334764 PZEBKQKJEWPKJH-UHFFFAOYSA-N 447.565 0.957 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn2ccccc12 1360712850 CRKQYPLXGCULIQ-DZGCQCFKSA-N 430.494 0.313 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)c(=O)nc1O 1453842276 LHZVDNFBRFYQJU-UHFFFAOYSA-N 430.440 0.134 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cc[nH]n1 1507543315 OJHNKKNWYFVIAZ-ZDUSSCGKSA-N 426.506 0.881 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507622561 IYRXAGLAFSBRFR-QGZVFWFLSA-N 448.593 0.625 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1507633568 HIRZGZLNOHXIDC-GOSISDBHSA-N 439.545 0.981 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507843817 VISSLXSWJQUCNF-SFHVURJKSA-N 446.552 0.897 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1508144095 ASBVFJVEYMMBOB-CVEARBPZSA-N 446.595 0.786 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CCO1 1521136045 AOUJUHBNXUGUFL-AWEZNQCLSA-N 449.313 0.788 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CCOCC2)c1 1527211552 PIOGYUJWKCLSOX-LTGZKZEYSA-N 433.494 0.630 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1539116046 JTGFTCDBJMGSJN-UHFFFAOYSA-N 449.515 0.900 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540858106 HEGAKRHRFXSVEF-INIZCTEOSA-N 445.505 0.332 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1555985010 GMBOPCMWDUNWKL-GDZNZVCISA-N 445.421 0.934 30 10 ICEE N#Cc1cn(CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)c(=O)nc1O 1557490011 HJJICNHEHDGEGT-SFHVURJKSA-N 433.262 0.619 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1557967662 VZURGKBNWMTKBO-QLFBSQMISA-N 432.502 0.213 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1 1560145649 PMJPTAVUKOEDDV-RTBURBONSA-N 436.582 0.274 30 10 ICEE COC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619724585 VVGKCCCJIANXFO-CVTQAYBASA-N 443.508 0.400 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1620026267 WZJNCGFJXTZIRG-CABCVRRESA-N 427.527 0.698 30 10 ICEE CS(=O)(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)ccc1Cl 1621753044 BTUZBHHXFKGBKU-UHFFFAOYSA-N 435.955 0.980 30 10 ICEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1 1624395673 WSEKONWKHDYTJB-UHFFFAOYSA-N 435.527 0.991 30 10 ICEE COCCOC1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1624416423 VVAGNYGBNMZUEW-OAHLLOKOSA-N 439.534 0.832 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1689965811 DJBXASYLXHEOTI-KRWDZBQOSA-N 425.555 0.887 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690156208 UAMSKFHYYMMDMN-JYJNAYRXSA-N 443.595 0.639 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690722224 BKGKXTYIGOFZTK-DNVCBOLYSA-N 436.538 0.664 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)CC1 1690728918 BASPUOAWAQOIAK-UHFFFAOYSA-N 436.582 0.676 30 10 ICEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696376236 ZVBCVXXTLRIDFV-NYAYQYMKSA-N 443.508 0.618 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 1705523914 BWLBUJLIILWLER-MRXNPFEDSA-N 426.587 0.849 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563871 HGJRYULBLDHGAR-OXQOHEQNSA-N 431.518 0.772 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705564785 CQELIEGXBOEGOH-CABCVRRESA-N 448.936 0.953 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)cc2)CC1 1705638436 LAGQZLAVKXNNBI-LJQANCHMSA-N 435.532 0.723 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705902850 KZCRBLFOSMMLMR-GOEBONIOSA-N 430.513 0.659 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722368224 PTOFNWYQZMHVEK-WMZOPIPTSA-N 432.550 0.775 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722727983 MFVWRBJZBMSLAH-SOUVJXGZSA-N 428.580 0.873 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1723954828 KYKGGJFIRGPYPA-BDAKNGLRSA-N 443.274 0.605 30 10 ICEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1728676581 FAOASSMVKDAFAI-UHFFFAOYSA-N 440.508 0.716 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1746536337 CEXZXIYMOJDQPK-KRWDZBQOSA-N 445.549 0.859 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCSC2)CC1 1749009243 NNKIBRVTECQQHU-FQEVSTJZSA-N 427.534 0.569 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 1749304003 SFJRKGYCKAELOT-JKSUJKDBSA-N 427.527 0.183 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1750042037 WIRMLEHIYAZRFX-KRWDZBQOSA-N 441.540 0.548 30 10 ICEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1750330340 BAOLSTZVIGUKKY-ZIAGYGMSSA-N 430.556 0.093 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760174267 FKMAKCDGEUMKRM-ZIAGYGMSSA-N 435.472 0.513 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1760233879 QFXDKPPHFKMGRM-SFHVURJKSA-N 429.546 0.999 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC)CC1 1760269849 PZZJJNITRAXQCU-QGZVFWFLSA-N 437.566 0.573 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1760316051 LSDQEUGROUITCC-DZKIICNBSA-N 426.543 0.148 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760527380 VAIUJTPWGYZYKO-KRWDZBQOSA-N 442.524 0.113 30 10 ICEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@H]2CCCN(c3nccn(C)c3=O)C2)CC1 1853503323 VPJGVFPGEFOMPA-INIZCTEOSA-N 447.565 0.818 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(C)cc3)[C@H](C)C2=O)CC1=O 1857079564 ZVACKJUTDCUMEW-AEFFLSMTSA-N 433.530 0.919 30 10 ICEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CC(=O)O)c(C(=O)O)cc3=O)cc21 1857885945 XIZFMROMMVCHEB-UHFFFAOYSA-N 442.380 0.804 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(OCC)c1 1865722101 JZYXOGDIJICNES-CQSZACIVSA-N 428.445 0.185 30 10 ICEE C#CCOCCOCCOCCOc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2070389328 LHOWRJZHHOVQGC-INIZCTEOSA-N 444.440 0.150 30 10 ICEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)CC1 253570505 NRIMVBPRBWOZQB-RQZCQDPDSA-N 449.453 0.933 30 10 ICEE O=C(O)COc1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 254760344 YTFARTFNBRKNMV-UHFFFAOYSA-N 443.464 0.454 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)C2=O)n(C)n1 409904469 DYIUPXBIPJLIEK-HZPDHXFCSA-N 425.497 0.093 30 10 ICEE C=CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 410067981 YEJJYIHHHDYWAQ-MRXNPFEDSA-N 427.498 0.492 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c1 466936175 OGCCQAYLWQTLLB-ZDUSSCGKSA-N 434.478 0.261 30 10 ICEE C[C@@H](NC(=O)[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(N)(=O)=O)cc1 546919415 WPBGUFSPEIISOQ-HZPDHXFCSA-N 442.545 0.989 30 10 ICEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 754716643 BXMJDVJTPQBFOV-HNENSFHCSA-N 441.554 0.414 30 10 ICEE C#CCN(C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 774153884 QBLYPSYZVGHZPY-SFHVURJKSA-N 441.575 0.846 30 10 ICEE C#CCC[C@H](O)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 799081077 PVSVHBAABMSXSE-AWEZNQCLSA-N 431.308 0.693 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1286555146 KFFHZCOLWZUYPZ-KURKYZTESA-N 437.566 0.830 30 10 ICEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)COCCO1 1289066067 KFTYCNSTSASSQB-HXUWFJFHSA-N 447.517 0.769 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300972835 QSWHBVFPHICNIU-INIZCTEOSA-N 440.570 0.577 30 10 ICEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1353251311 ZQRNGLZPCMQXGT-LBPRGKRZSA-N 441.893 0.542 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359121620 ZGIIBPNFQQLNED-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1507671092 GKROXXYHBIUHPY-KRWDZBQOSA-N 437.566 0.625 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1508143893 KWNGKJNSJQTSSA-UHFFFAOYSA-N 433.538 0.326 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1539273562 XKSSJMPUIHUUOL-JOCHJYFZSA-N 437.525 0.904 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 1540882358 HGWUOAPIWQBAON-HUUCEWRRSA-N 440.570 0.715 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1541934735 DFISIWFGIXNGRV-GJYPPUQNSA-N 439.586 0.739 30 10 ICEE N#Cc1cn(CC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c(=O)nc1O 1542336288 HWALEPJTLCSYIA-UHFFFAOYSA-N 430.896 0.802 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCCCO)CC2)s1 1566369578 LWMWIORUGGLNJN-UHFFFAOYSA-N 429.564 0.492 30 10 ICEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1641004350 NXUFKZDEARXSGS-UHFFFAOYSA-N 429.502 0.704 30 10 ICEE CS(=O)(=O)NC1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1645633662 DPMVSGDOGIGEGM-UHFFFAOYSA-N 428.536 0.046 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 1653017382 YHZMUMVQJFDGOR-UHFFFAOYSA-N 449.577 0.935 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1689852430 FGZVTMRUEGTKIP-HZPDHXFCSA-N 425.555 0.886 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690725149 HKAAHWFTHUSFBW-HNNXBMFYSA-N 431.584 0.446 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705565731 JZEJXLRGNRGPAV-CVEARBPZSA-N 447.517 0.318 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCCC)CC1 1705638218 CGUNRRYYPCFRBN-UHFFFAOYSA-N 448.531 0.473 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705936770 YATWFYCSGAUHHX-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1722427368 NVAYGWMPWNEHDS-UHFFFAOYSA-N 429.525 0.475 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)C)c1 1740561483 AUNGREKUUXZJJE-UHFFFAOYSA-N 425.493 0.561 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1748640861 XOUPLDKPJTVEJX-LSDHHAIUSA-N 428.522 0.975 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)CC1 1760259968 SXGNUCAFEVWPQG-OXQOHEQNSA-N 449.602 0.905 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOCC1(C)C 1761462858 BHXAPRWZMPMNBD-GJZGRUSLSA-N 427.575 0.737 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762308897 JNXYNVZVJUWHDB-VLGSPTGOSA-N 431.497 0.560 30 10 ICEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1768012339 APVZZRKVXCQNED-HNNXBMFYSA-N 437.504 0.779 30 10 ICEE COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771266277 XHNPLZFMHWCBFY-SFHVURJKSA-N 431.541 0.744 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(F)CCC2)C1 1771362789 KBAKOYKUMSCJTE-LSDHHAIUSA-N 442.517 0.622 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CCc3ccc(F)cc3F)C(=O)C2)C1 1856919725 VJMIFBATLPJZMB-INIZCTEOSA-N 440.472 0.496 30 10 ICEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1COC1 2248435936 HFXKDOSZAORRRA-NSHDSACASA-N 440.331 0.737 30 10 ICEE Cn1cc(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 2255653292 GZEAOUAIBKKMGZ-UONOGXRCSA-N 436.318 0.429 30 10 ICEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069356 LNGUKCMARQTIRJ-HXUWFJFHSA-N 436.318 0.781 30 10 ICEE COc1cc(C=Nn2c(C)nnc2SCC(N)=O)ccc1OCCN1CCOCC1 2321124309 FZLCZMAZONFKIL-UHFFFAOYSA-N 434.522 0.766 30 10 ICEE Cn1ncc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(Br)c1=O 301232091 JOXARWUPBPWYPL-UHFFFAOYSA-N 438.307 0.925 30 10 ICEE CCO[C@@H]1C[C@@](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 444749294 VCEBRUKPLKWOHW-IIBYNOLFSA-N 433.509 0.840 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478754288 NVJADXPAKYPRNR-GDBMZVCRSA-N 428.514 0.321 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 549644503 RUZZJSGURSXSAL-QGZVFWFLSA-N 447.565 0.909 30 10 ICEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O 603798455 LNGGEKCCQSWAAT-GOSISDBHSA-N 439.537 0.759 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 729330664 CSFYYRDDZBGZIH-MGPUTAFESA-N 433.486 0.111 30 10 ICEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 731475074 ASPVHLTVERXYLE-QGZVFWFLSA-N 428.514 0.931 30 10 ICEE C[C@@H](CC(=O)N1CCN(CCC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 761537276 GZQFTPVWTNZGQW-HNNXBMFYSA-N 435.550 0.126 30 10 ICEE C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3CCC(N(C)C)CC3)no2)cc1 771472508 MLJOOYUFOCPFIV-UHFFFAOYSA-N 431.518 0.743 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1C#N 788340965 XYQPHCSARGAZIV-UHFFFAOYSA-N 437.504 0.724 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[C@H]2CCCCO2)CC1 1286470772 BYHLVSCSPMYTSY-QZTJIDSGSA-N 438.598 0.993 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1296605640 IEUARRFNFZSUGS-PMACEKPBSA-N 429.456 0.914 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300479651 RAKOICUNSXTYMP-QRWLVFNGSA-N 446.533 0.713 30 10 ICEE C=C(C)CS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1309035520 NHTYROOAXTXUQW-UHFFFAOYSA-N 430.552 0.130 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1316529413 DTWXFFYKUWBRKI-DOTOQJQBSA-N 428.518 0.953 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1358997154 HDIYSXBGYZLEET-MRCUWXFGSA-N 435.488 0.390 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1359342711 DDLDNUOKGFACCX-LSDHHAIUSA-N 431.584 0.755 30 10 ICEE N#Cc1ccc(OCC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Br 1457671375 CLMLIXKJOYTFAB-UHFFFAOYSA-N 431.312 0.132 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1503769740 BRXJABBPMVWAMI-QGZVFWFLSA-N 437.504 0.814 30 10 ICEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1507847888 DEXBQFIADRLQOR-AWEZNQCLSA-N 425.515 0.681 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508072275 IOUBYLCMGZOBRF-GDBMZVCRSA-N 425.449 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1508130016 FYQGGFCKAXETPR-KGLIPLIRSA-N 435.572 0.104 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1508421478 BHXULQSWIAUKLK-KBPBESRZSA-N 429.568 0.743 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)NC(C)C)c1 1539037951 JMEHHNHLDHBXMA-UHFFFAOYSA-N 439.520 0.997 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539216851 XRJHRYUGIDLFTC-HNNXBMFYSA-N 431.522 0.277 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1548310901 UYSJKDUAWHXTDJ-VLGSPTGOSA-N 436.538 0.943 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554427873 NVUZPAFYUDEBNZ-FCPHTXGTSA-N 443.508 0.271 30 10 ICEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593758455 ZQTOGKWARNIDMY-MRXNPFEDSA-N 430.534 0.670 30 10 ICEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607498712 XSRWQDCNNKIIED-UHFFFAOYSA-N 447.398 0.463 30 10 ICEE C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@H]21 1616174545 AGQFZMHIHGIFNF-QTVXIADOSA-N 429.420 0.508 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)n[nH]2)c1C 1625147665 IZDXDHAJUOPVOV-UHFFFAOYSA-N 444.521 0.946 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 1626966528 GGDONAFBQCYYEX-INIZCTEOSA-N 426.583 0.917 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689988154 KDQDYNVYJLOZSD-XAUMDUMWSA-N 432.550 0.856 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689988484 PYLYLQFOVXHUKK-FUHWJXTLSA-N 431.566 0.790 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1705564836 QRKWQSACMCYCHN-KRWDZBQOSA-N 426.506 0.649 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)CC1 1722700522 LJKLZNPOXICDII-UHFFFAOYSA-N 438.536 0.587 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1722733596 YSMOCIKBQSJQOZ-HNNXBMFYSA-N 448.549 0.828 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1740531739 RUYSERHZAQCDDW-UFOSLELVSA-N 434.460 0.910 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740628069 VJOWCBLRURNMHK-VPRUJKLYSA-N 438.550 0.339 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc(C)s2)CC1 1740701106 USSSDCXJMQUENC-UHFFFAOYSA-N 444.565 0.785 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748805518 TUWBPJYVBHQDSN-HIFRSBDPSA-N 441.535 0.156 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1749067750 WDWCKTIFXYRCIP-WIYYLYMNSA-N 448.593 0.336 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749413773 YDVFWWZSVXPCSZ-PBHICJAKSA-N 431.584 0.870 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760186981 BPYMMEVSJDPOPS-TWOQFEAHSA-N 430.534 0.913 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1760521834 FGABTTBBJIHFBN-CVEARBPZSA-N 441.554 0.114 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760523969 MEKMZWOZNJGEFH-IAGOWNOFSA-N 432.525 0.302 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1770726963 BNWVUZPFPOILPV-GUYCJALGSA-N 426.474 0.464 30 10 ICEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCN(C)C1=O 1851236680 YVNZGEILTKHGBB-CQSZACIVSA-N 430.324 0.973 30 10 ICEE CN1CCN(CCCON=C(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C2CC2)CC1 1853541887 GXVJNVPZFCYQHZ-UHFFFAOYSA-N 435.550 0.837 30 10 ICEE COc1cc(C)c(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1C 1857492272 LSUGUCXZGPAPFV-MRXNPFEDSA-N 434.518 0.660 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2255814704 CGROJOJAOCXQPT-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502056572 IYPRZERHTUWJBP-UHFFFAOYSA-N 441.488 0.427 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1S(=O)(=O)NCC#N 608868305 JFTPYWNGRBEGRD-KRWDZBQOSA-N 434.518 0.508 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 734273492 NIABBHUYPWOJTO-UHFFFAOYSA-N 444.580 0.447 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)CC1 780129907 FDSWFGDGQXURTA-IPELMVKDSA-N 433.486 0.359 30 10 ICEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1134645654 RCKZNUMTCNHTTR-MAUKXSAKSA-N 425.532 0.321 30 10 ICEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)C1=O 1139683893 LFZOTPFXXGEDSL-GOSISDBHSA-N 440.526 0.833 30 10 ICEE N#Cc1cccc(C2(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCOCC2)c1 1147811009 RGQWNUFVSCSTLF-SJLPKXTDSA-N 431.514 0.716 30 10 ICEE COCC(COC)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1161732984 HQZWISOWWBGQGG-LJQANCHMSA-N 443.504 0.569 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286381874 OWCHALSDBQDBSR-KRWDZBQOSA-N 447.565 0.789 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793304 CKFMRIUFQQROPK-IIBYNOLFSA-N 432.525 0.432 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 1298949969 SMFPDENYOPEMOX-UHFFFAOYSA-N 429.458 0.864 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1300991923 YALZOOBVOBNFKR-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 1301188696 MQBOOTYSLUVQBM-OAHLLOKOSA-N 426.543 0.246 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305514679 PGAOGTTVTULKKU-ZJYNUGOYSA-N 445.524 0.613 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1COCCO1 1360675652 FLZFCKPKZPAMAU-LSDHHAIUSA-N 426.543 0.824 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCOC)CC1 1507733943 OLXCGJROQQTHBR-UHFFFAOYSA-N 432.525 0.143 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1508421529 BMSIRMPYTMOIOG-PMPSAXMXSA-N 426.543 0.633 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)CC)CC1 1539453357 IMKCABIXLWYRDQ-UHFFFAOYSA-N 434.541 0.703 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1539533401 PMMNUAFNNLQWSA-WOJBJXKFSA-N 437.566 0.738 30 10 ICEE CCOCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1548113559 BUPBNGCMEPLVLK-DHQBXBPASA-N 431.497 0.303 30 10 ICEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554225896 FDYOVNGWXAZMNI-PVHMMBIOSA-N 443.508 0.761 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1561875778 GOOXVGBKXYJMPO-KUHUBIRLSA-N 439.490 0.926 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588030670 ZJMWNVOXVNOPBV-OAHLLOKOSA-N 437.566 0.484 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588035629 WHLMLDSINJBSQH-PXNSSMCTSA-N 448.549 0.339 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1588181318 REKOAYCUUXOQQG-HZPDHXFCSA-N 441.579 0.176 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1620175695 WJUISBDIAJHWCP-OAHLLOKOSA-N 448.505 0.384 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1640675944 ZCOVSFPSWGBZHA-YOEHRIQHSA-N 444.517 0.380 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]([C@@H]2CCCO2)C1 1652402121 NIZUAODFFUZVSS-NJAFHUGGSA-N 435.502 0.796 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1 1664976325 AQXXRINFTPKTIN-SFHVURJKSA-N 441.575 0.486 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672358044 NWPYWFRQHBQVOF-QGZVFWFLSA-N 429.477 0.132 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 1676845749 QFNZBFHCKHORBD-UHFFFAOYSA-N 434.440 0.923 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690659426 SHWXCJZIDFLTNL-FQEVSTJZSA-N 426.481 0.190 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1690992865 ALSUXKWXTDMTDA-ZIAGYGMSSA-N 435.558 0.850 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1705612905 SCYOQEDAMYZCPP-INIZCTEOSA-N 438.510 0.253 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1712453969 FCMQKUZQRSMZOY-DLBZAZTESA-N 440.570 0.963 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722382337 YCJCFSKDXIMLOU-IAGOWNOFSA-N 433.520 0.803 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OCC)CCCC2)CC1 1722432479 YFYPYOFWTAGNFC-QGZVFWFLSA-N 438.598 0.993 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)CC1 1722447193 GJQCEYAYZLYZHX-MKTHODDLSA-N 446.577 0.496 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722451655 MIEGHAFVBORTGY-KGLIPLIRSA-N 449.624 0.268 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1723564050 JKDJGAQOKZWPMD-HMDCTGQHSA-N 439.520 0.962 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CCO1 1729680528 GSBDUVRCXYZTSX-SFHVURJKSA-N 441.561 0.817 30 10 ICEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740591173 QJVLPCIJWGLAAM-INIZCTEOSA-N 442.524 0.400 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1740626267 WHSAGRPGKOAGHK-GOSISDBHSA-N 439.545 0.867 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740716698 WZFHDGGMYOOBSQ-UONOGXRCSA-N 426.568 0.114 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740960224 NRNHVDJFYYSXMF-GDBMZVCRSA-N 447.565 0.730 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740992978 QSBGKIBNLXILNN-UHFFFAOYSA-N 433.538 0.262 30 10 ICEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749246457 CLRMBNJBGBYGAA-ZDUSSCGKSA-N 433.904 0.799 30 10 ICEE COCc1nocc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1749454648 CXFGNMZXXOSMRE-BDJLRTHQSA-N 427.462 0.513 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760174240 FKMAKCDGEUMKRM-KBPBESRZSA-N 435.472 0.513 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1760183424 QFDMZLWMYWPMON-INIZCTEOSA-N 428.580 0.853 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1760356981 AZWYYWHXFANMOI-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1760515216 RPOQIQCQVLQKEN-UHFFFAOYSA-N 445.911 0.442 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1767432379 ZNTNJIKZNWDGHF-YLJYHZDGSA-N 431.518 0.982 30 10 ICEE Cn1nnc(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 2255696840 ZXAOZCXKNGDPGN-XQQFMLRXSA-N 433.318 0.852 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267614656 RCXHDPQNGLHQQN-DZGCQCFKSA-N 448.329 0.733 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 32826537 QXXPFQREYPOHNO-UHFFFAOYSA-N 436.534 0.196 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 463349344 LXFBNEQZLTUDJK-MRXNPFEDSA-N 437.566 0.426 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 522132011 HEUOZZGVMYAIFU-UHFFFAOYSA-N 448.531 0.919 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 534403023 QKZJBYBTVKNCFA-INIZCTEOSA-N 449.479 0.633 30 10 ICEE CN(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 553436155 JWMKLOQVIRAQDV-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 735198277 DYOSBWIHGGMPCS-LQGOGPKYSA-N 428.536 0.323 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CC(=O)NC2CCCC2)c1 747191749 NTOOWLPQAXBSSH-UHFFFAOYSA-N 430.490 0.619 30 10 ICEE C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 799073097 BAGGPGRPCBVOSO-ZDUSSCGKSA-N 445.335 0.974 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803575316 LMIPMJZYEMTIGS-ZDUSSCGKSA-N 428.536 0.046 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)cc2C1=O 876538948 ZHTIYZPPQNHLQN-WMLDXEAASA-N 448.497 0.953 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1286495497 XPOIBQMADMTMRI-UHFFFAOYSA-N 428.584 0.301 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286818594 KLLKSGDYSSESDX-QGZVFWFLSA-N 445.549 0.986 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CC1 1300700535 RWTQGNZHKIKDNE-KRWDZBQOSA-N 448.593 0.384 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1300732946 GAQSECGVTUAREK-HNNXBMFYSA-N 426.612 0.929 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301497474 XUCAWFYRYQOFRG-SJLPKXTDSA-N 426.525 0.584 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301520575 IYSGPEGUMFPLGU-OAHLLOKOSA-N 426.543 0.197 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1301588730 ITXJKKNHLIMRGP-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 1302924493 NHNLDLQPETXRNV-NSHDSACASA-N 443.161 0.494 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1303469716 JGKXWAVBNHSOOR-CALCHBBNSA-N 432.506 0.706 30 10 ICEE CN1CCN(C(=O)CN(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309827986 CXCPWPOWTBMSDI-UHFFFAOYSA-N 433.303 0.854 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc2n1CCCCC2 1316101156 HXOUODNEFQTKDM-HNNXBMFYSA-N 427.513 0.962 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2CCCC3(CC3)S2(=O)=O)c1 1351602422 XHWXGHVOIZZFML-UHFFFAOYSA-N 445.541 0.818 30 10 ICEE CN(CCOCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1470848772 ORRHRSYLDKXKMP-KSSFIOAISA-N 430.527 0.450 30 10 ICEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1471822451 HKRXEFGMCHOZAE-JZUUQJBKSA-N 442.559 0.529 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)CC1 1507881700 PXNMKLUAOJHXJD-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1539383836 LZMVRMYVMTUUPQ-HOTGVXAUSA-N 426.539 0.401 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626872 GTRLQVAEKOMFKF-UWVAXJGDSA-N 445.568 0.421 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540873827 LGMRUXHQTGMTLE-HNNXBMFYSA-N 438.554 0.106 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)CC1 1588924062 UYHBSBYJXRTPED-QGZVFWFLSA-N 441.536 0.254 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595761103 XUVXAZQBTFOKFV-UHFFFAOYSA-N 426.587 0.649 30 10 ICEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1619368247 FSOLRWLIFVJRLO-CVEARBPZSA-N 447.517 0.974 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1620356311 WGUQQFLBTGWEHE-HOCLYGCPSA-N 434.451 0.820 30 10 ICEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821327 DBKUJHBVKSFOEH-QABNGEJJSA-N 427.523 0.798 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1672173576 BLOKOXYJCHWQBZ-UHFFFAOYSA-N 427.284 0.333 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1690047083 LFYBRKNCMRGYBK-GOSISDBHSA-N 433.578 0.754 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCC2)CC1 1690135237 SOJUYDJCVXHPFA-UHFFFAOYSA-N 428.537 0.785 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1690244199 UVLMKXCAPJPRNR-LPHOPBHVSA-N 429.525 0.955 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690665953 UXQHQNNZDWWHPP-SFHVURJKSA-N 428.493 0.597 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690674030 MFHQCJVALJOGLA-MRXNPFEDSA-N 426.525 0.930 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567138 UYEDGSASAINKGA-JYJNAYRXSA-N 435.550 0.671 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1705585156 MDRYLRQFAOXGDV-FQEVSTJZSA-N 425.581 0.747 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705890931 QFAQKJYSZWMICD-LPHOPBHVSA-N 440.570 0.098 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705943738 JJRPZRSQVOGODG-UONOGXRCSA-N 445.553 0.680 30 10 ICEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOC1 1729946708 GMBLYSDDCXHLGF-KNQAVFIVSA-N 440.504 0.964 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740604839 IHLVAYYROWBOEE-HNNXBMFYSA-N 441.521 0.272 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1748784258 HGJCOOUCQLZXKS-UHFFFAOYSA-N 431.460 0.415 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1748847792 XDMPSIBBZMOQNJ-SFHVURJKSA-N 433.578 0.488 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749731501 FUULPGFDTXCTNA-HUUCEWRRSA-N 436.538 0.031 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760433778 VWPHHSGPILRDNX-KBPBESRZSA-N 439.542 0.327 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760450663 PIDGARRDDPCKMH-QGZVFWFLSA-N 434.541 0.548 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760514864 NGGAHMQJXZNBPB-INIZCTEOSA-N 429.525 0.408 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1761272530 AUVCNVDHUKORGW-UHFFFAOYSA-N 434.522 0.893 30 10 ICEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC 1765553802 FWCUTKMILBCNRA-MSOLQXFVSA-N 437.504 0.779 30 10 ICEE CC(C)Oc1ccc(C(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856850903 TWPYNVWKXOWCNO-KRWDZBQOSA-N 434.518 0.686 30 10 ICEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCNS(C)(=O)=O 1860928839 HTDYXMSLXSELTQ-QGZVFWFLSA-N 425.507 0.271 30 10 ICEE CC(C)(C#CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2213497346 HZVODYCENAJBJZ-IIAWOOMASA-N 441.525 0.750 30 10 ICEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 478746744 NLFRNLYEZRUXRK-QGZVFWFLSA-N 441.557 0.992 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)cc(C)n3)c(=O)n2CC)CC1 540697106 CJGINXSBSMLVLB-UHFFFAOYSA-N 441.557 0.309 30 10 ICEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 544014052 JLAUUBGIICMVCZ-QGZVFWFLSA-N 444.517 0.533 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729671567 MADQBHDBGDXMIP-UHFFFAOYSA-N 425.514 0.479 30 10 ICEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CCS(=O)(=O)C1 732063064 ZYWHHUGHDRZLJV-QMMMGPOBSA-N 441.350 0.421 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CC(C)C)c2=O)cn1 735069297 SCKDGJBVDRUBKA-OAHLLOKOSA-N 431.562 0.826 30 10 ICEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937459 DJLBKCCERZZNHD-QIOFNASQSA-N 446.501 0.924 30 10 ICEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C 913053400 NAQLCSDFLDPJBY-UHFFFAOYSA-N 449.577 0.745 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)n1 1139833762 PFEPPKWKSOSBLR-UHFFFAOYSA-N 437.909 0.596 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(O)CCS(=O)(=O)CC3)C2)C1 1140607916 ATLRPEKDXPFFKP-XAUUPUKJSA-N 441.550 0.829 30 10 ICEE C#CCN(C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCS(=O)(=O)C1 1231210733 JZOUZINMMRJVBK-JKSUJKDBSA-N 441.550 0.987 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286390279 ZVPFLRZPTNREGV-ZBFHGGJFSA-N 448.936 0.953 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1286419591 BBDBVXHLFNMAGF-YVORESIASA-N 425.580 0.652 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)CC1 1286494455 UBVPNEGUPUNNSR-QGZVFWFLSA-N 445.549 0.112 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1286712474 ZWLSQJDHDBYMGH-INIZCTEOSA-N 425.555 0.832 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300481592 ATYRMLXWKSABAF-CVEARBPZSA-N 443.595 0.452 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1300490922 CUBRZKXIJMNDLY-DLBZAZTESA-N 436.582 0.588 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301490696 CQTAAKKITVFVSH-QGZVFWFLSA-N 426.525 0.318 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1303824080 UNYIFHAGMASKPT-DJJJIMSYSA-N 435.554 0.639 30 10 ICEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1315068516 JVYGZJXKGGBRDQ-LBPRGKRZSA-N 426.449 0.425 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358954925 ATFHFZRFAVMHBI-LSDHHAIUSA-N 428.580 0.637 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359047960 ZSXZHHJNPFYSAF-IBGZPJMESA-N 445.612 0.806 30 10 ICEE C[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1360840972 BZNPWJHBAVINAL-OLMNPRSZSA-N 442.517 0.622 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1468205734 QUHXBDOCANZYGI-GOSISDBHSA-N 449.533 0.099 30 10 ICEE C#CC[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1470488586 WBSKDNUOVIWVRZ-ZBFHGGJFSA-N 435.502 0.242 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1507518446 VGSWEUGNMFEXHP-HUUCEWRRSA-N 432.550 0.949 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1519449820 MOKHLLWARSLYDK-ULQDDVLXSA-N 439.538 0.556 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccs2)C1 1519561715 DFYVJTYPVNAQPY-ZFWWWQNUSA-N 438.535 0.450 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539219001 AZSCXLYFYJBPJM-SJORKVTESA-N 438.550 0.688 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1539432072 YDUCXOYCIUSVCR-HSZRJFAPSA-N 444.580 0.944 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1539516943 GKISTQCZZKOHJA-HUUCEWRRSA-N 445.636 0.919 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1554531492 GPVDQLZZGHGCIQ-MRXNPFEDSA-N 432.506 0.755 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)s1 1556961777 JOJVOGCEFREQJJ-UONOGXRCSA-N 434.561 0.169 30 10 ICEE C=C(C)Cn1c(SCC(=O)NC2CCN(S(N)(=O)=O)CC2)nnc1-c1ccco1 1557712756 FKAJPBNSUJYEGM-UHFFFAOYSA-N 440.551 0.990 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 1559320212 PLXWRYMBDBWUGP-UHFFFAOYSA-N 428.470 0.962 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 1564351854 NUQITXOECDIHPL-IBGZPJMESA-N 447.561 0.015 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 1565963633 UTDGJRVABDXXLM-GOSISDBHSA-N 433.530 0.147 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1588089940 RFNZBWZMPMYEKI-WIYYLYMNSA-N 449.577 0.816 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1594733315 QUAYVQIIHZMDLX-QFBILLFUSA-N 441.554 0.573 30 10 ICEE Cc1csc([C@](O)(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C(F)(F)F)n1 1607489239 OINBMOFVSHCOJN-OAHLLOKOSA-N 429.380 0.809 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 1636475643 QTOIBZCTOHNMPA-UHFFFAOYSA-N 438.509 0.767 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(CC)c1c(O)nc(=O)n(CCCC)c1N 1654984116 GBXAFPSZXUSXFE-UHFFFAOYSA-N 435.525 0.961 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)CC1 1658969810 FNUYMXYMMVYEPQ-SJORKVTESA-N 442.582 0.119 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCSCc2ccnc(Cl)c2)CC1 1679992568 AHIHOQFUQCRQKM-UHFFFAOYSA-N 431.971 0.763 30 10 ICEE C#CCN(C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C1CCN(C)CC1 1685637478 IRWHPZAGCXLKKI-INIZCTEOSA-N 433.553 0.946 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1689852813 KZZPHRBKOPJPPB-WMLDXEAASA-N 446.533 0.216 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)CC1 1690124507 MQMUTTSZHCJLTN-LJQANCHMSA-N 445.593 0.839 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690655047 FFANZHCGGXDOPO-UHFFFAOYSA-N 429.525 0.311 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1690671423 VVJJUEUOTQJLPU-INIZCTEOSA-N 436.582 0.547 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1692783095 HCUHPQAAQGBNKI-CYBMUJFWSA-N 444.583 0.596 30 10 ICEE CCc1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709062340 KHRWSKVUQDCKFW-SFJAUFLASA-N 429.525 0.524 30 10 ICEE CCN1CCN([C@@H]2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)CC1 1710288784 UCQAVVSRKIWHCQ-FTHOYRMOSA-N 428.541 0.329 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1711961183 HQPCYSPTOLYDDA-HNNXBMFYSA-N 432.506 0.718 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884792 SEFGQGQTKPLNPY-BZUAXINKSA-N 426.468 0.867 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722362873 WSJQUPUFIFJONS-YWZLYKJASA-N 442.501 0.863 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1722372216 RMOULRAJTPLUGR-HNNXBMFYSA-N 442.501 0.540 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CC1 1760269556 LHSDMHNSKDZREM-ZDUSSCGKSA-N 433.456 0.708 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760518994 ODWSQMOTWUBEND-UHFFFAOYSA-N 432.550 0.891 30 10 ICEE CN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CN(c2nccnc2C#N)C1 1848791169 PNFDARJMJUQTRD-AWEZNQCLSA-N 434.456 0.820 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc2n(C)c1=O 1891673890 NRHJWZZQGAZNMJ-UHFFFAOYSA-N 440.485 0.015 30 10 ICEE COCCN1C[C@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4ccccc4C#N)CC3)[C@H]2C1 248016750 GPSHGWZLVHWTNF-MSOLQXFVSA-N 432.546 0.748 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461658282 DOJSZMBAQBKUBW-SJORKVTESA-N 443.570 0.819 30 10 ICEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O 476164905 TVNBWGWJNNXEMN-UHFFFAOYSA-N 444.582 0.394 30 10 ICEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 503395659 KIQIPEBYBLPVON-GOSISDBHSA-N 426.495 0.910 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NCC)CC1 549251657 ZCCOQGCHTPEZQD-HNNXBMFYSA-N 441.558 0.039 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC(C)C)C1 566985088 INHCYUTXZPCAIN-HZPDHXFCSA-N 429.543 0.427 30 10 ICEE CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 727008921 YICVOJCEXHCYJG-KRWDZBQOSA-N 435.502 0.503 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754993004 LADJPUDSSBFZLY-UHFFFAOYSA-N 435.531 0.440 30 10 ICEE C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 776594539 LVXNCGREOTXKJQ-OCKHKDLRSA-N 430.574 0.772 30 10 ICEE C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808655722 WPDBTOBZDQTYEZ-HNNXBMFYSA-N 439.534 0.869 30 10 ICEE COCCCn1c(NN=Cc2nccn2S(=O)(=O)N(C)C)nc2ccccc2c1=O 814775354 UKNUWENVUWWRQG-UHFFFAOYSA-N 433.494 0.730 30 10 ICEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1163652763 ZPZPWTUACRBFNE-FPOVZHCZSA-N 425.533 0.776 30 10 ICEE CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1286984683 GTOSQRBEVMWNFB-CQSZACIVSA-N 426.481 0.816 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1300650145 RTQUSZOTHPJAGN-HNNXBMFYSA-N 425.493 0.926 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300831448 ZCUANCSYTWYVTI-NHYWBVRUSA-N 447.359 0.513 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1358966527 RABZRQAFQZUBAM-SFHVURJKSA-N 432.550 0.749 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCOCC2)C1 1359313502 NKCBYJTZCRCEKD-CABCVRRESA-N 429.543 0.211 30 10 ICEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)cs1 1492674901 JPHZSTOOAWWXGB-INIZCTEOSA-N 427.531 0.967 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1508099421 WVRUPRHVLWDSEI-CABCVRRESA-N 447.540 0.964 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1508145157 JOGHMNGYECETMB-UHFFFAOYSA-N 432.550 0.867 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1539216093 NNLMYTXIUGXRFR-QGZVFWFLSA-N 441.517 0.757 30 10 ICEE CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1547708252 LUDRYISOBZVQBJ-DXQAYGFFSA-N 444.540 0.473 30 10 ICEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554225892 FDYOVNGWXAZMNI-FKQWUUPDSA-N 443.508 0.761 30 10 ICEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1584108339 FTUATNHTTSASAB-QGZVFWFLSA-N 435.889 0.981 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055706 YKDWIKPWSCHKEH-CVEARBPZSA-N 435.550 0.815 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCCc2ccccc2)CC1 1588800313 DCONUWDLGZMAFX-UHFFFAOYSA-N 432.532 0.793 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cc[nH]n2)C1 1595723539 XTFZBIOYOIMIGL-LSDHHAIUSA-N 449.537 0.115 30 10 ICEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1621902772 BYESTMZKXWRFBI-UHFFFAOYSA-N 441.510 0.743 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)C2CCOCC2)ccc1F 1627961106 LDQKPJVHJHYYES-UHFFFAOYSA-N 434.511 0.614 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 1634990649 HOXZBFMMFPSHMT-UHFFFAOYSA-N 425.488 0.321 30 10 ICEE N#Cc1ccc(CN2CCCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)cc1 1637743822 PVBCDNHSOSZQCH-QFIPXVFZSA-N 427.505 0.403 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 1640528471 SENZCLUBWYQCRK-HNNXBMFYSA-N 425.474 0.045 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 1642409658 FXNPGVYMYQPWDZ-INIZCTEOSA-N 437.518 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1 1650846316 RDOJXHNXFCYGMN-AWEZNQCLSA-N 425.532 0.566 30 10 ICEE N#C[C@@]12CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@H]1CS(=O)(=O)C2 1654885811 RWZWRRIZEVRUAI-JXFKEZNVSA-N 436.509 0.149 30 10 ICEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 1657656982 JPOPETILAWDYQS-HNNXBMFYSA-N 434.518 0.769 30 10 ICEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689924357 DNNGZWTYSAZOJT-UHFFFAOYSA-N 425.493 0.194 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689995861 BFTBHHPUVVMQPF-ZWKOTPCHSA-N 448.593 0.512 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1690020149 ZPPSURGVWOPEPB-MOPGFXCFSA-N 448.593 0.558 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690130242 CMFNWBLLOVGLTF-UHFFFAOYSA-N 448.593 0.513 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1690621923 CUEHZQDYCHWSSS-ZACQAIPSSA-N 443.570 0.675 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1696961773 CBZABCCJACTPOU-KSZLIROESA-N 426.477 0.308 30 10 ICEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1698319716 NHFHBTAWWVBUGV-RDJZCZTQSA-N 432.506 0.646 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1705553535 ZBWPZDIVCWFPTN-INIZCTEOSA-N 429.550 0.956 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705628574 KTAATIUOHCBKFB-LSDHHAIUSA-N 431.584 0.449 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705897386 LNXZEEQCZHJIDU-AWEZNQCLSA-N 441.492 0.839 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711157429 WTQZQLUBNJVDKF-DXQAYGFFSA-N 443.508 0.513 30 10 ICEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722335610 VDXJJVBTWLFELE-UHFFFAOYSA-N 437.483 0.757 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCOC2)n1 1722429476 MQEAHSXTASSGCQ-AVRDEDQJSA-N 444.536 0.806 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727027369 LDKNVSDGEOBGPD-BZVZBAJASA-N 431.497 0.269 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1740671694 MMGVSWMDKFCBEO-HNNXBMFYSA-N 438.554 0.116 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740959919 HFJOXOWIBQPCEC-QZTJIDSGSA-N 429.525 0.803 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740963568 OOIGFRPHHYUUMM-UTKZUKDTSA-N 429.525 0.826 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749649842 CMXKISPXMQFMLE-MRUHUIDDSA-N 432.525 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749734065 DSJRGBIAHRWDFT-OAGGEKHMSA-N 446.595 0.785 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1750956989 GPNGXPYVUZLSHL-GOSISDBHSA-N 426.543 0.608 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1760547446 LCYDTSUGOURJMP-UHFFFAOYSA-N 435.554 0.875 30 10 ICEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1771326886 DDLPMSTXYAGFKV-GOSISDBHSA-N 426.477 0.813 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)CC1=O 1854503808 OKSYZYNMMRRHPU-IAGOWNOFSA-N 437.562 0.439 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OC)c1OCC 1865722379 PUURMHLLKXJCLL-CQSZACIVSA-N 442.472 0.488 30 10 ICEE C[C@@H](C(=O)O)N(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 1866332372 RDYPMXJCDIURMN-SWLSCSKDSA-N 435.458 0.301 30 10 ICEE C[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247904946 QTTXWYNQTOPJMN-LBPRGKRZSA-N 444.363 0.911 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 460796107 DWCQWAVDBGUFFG-AWEZNQCLSA-N 432.550 0.508 30 10 ICEE CC(C)OCCS(=O)(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 569816003 GUEOYXXGWIZXQC-UHFFFAOYSA-N 429.564 0.704 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 589158887 AHDDLRWZGRZFSY-UHFFFAOYSA-N 437.452 0.929 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749381044 OIKORPKWNCMLLA-UHFFFAOYSA-N 446.309 0.322 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767956272 WPWAZWRQJQKPER-AYHJJNSGSA-N 446.548 0.342 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1286294728 FQTWEYZRYDTCRW-BZSNNMDCSA-N 438.598 0.943 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1286361377 OGOAJXBUOYOAOJ-AWEZNQCLSA-N 434.522 0.396 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286390117 XJBHCZGQVUUXQN-GJZGRUSLSA-N 448.549 0.583 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1286781102 OLCMQLNBCKKAKU-UHFFFAOYSA-N 447.521 0.241 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286829561 FCKRTECCRPANIM-HNNXBMFYSA-N 430.538 0.735 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1286959296 FGWUFZVEDYXPBK-RDBSUJKOSA-N 432.572 0.309 30 10 ICEE CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1287115509 BNFKXXJSEVMPTM-HNNXBMFYSA-N 446.533 0.998 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1290975689 CFUASYOGKCAANN-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)N(C)C)cc1 1291832743 RGCISDOFPXLLPM-SILNSSARSA-N 445.567 0.614 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1299301882 IECAGWSKIVWOBW-QGZVFWFLSA-N 431.522 0.471 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCOC1 1303863139 MPRBVSDCRCVGGS-YOEHRIQHSA-N 435.554 0.412 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1305788701 ATAUMWWXCPFODE-LBPRGKRZSA-N 431.419 0.604 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1313159126 NKEBHFAOHVSZPV-UHFFFAOYSA-N 428.518 0.936 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1359058125 TUVXGQBMFOVBAR-HOTGVXAUSA-N 443.595 0.593 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359327206 VJDSXIFRJXAGEV-MRXNPFEDSA-N 440.570 0.322 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)C2)C1 1456026596 SXRLMDJUNFKUDC-FZTQNYJHSA-N 441.550 0.781 30 10 ICEE CS(=O)(=O)CCn1cccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=O 1476356314 FUHMPJCVZAHAJA-OAHLLOKOSA-N 431.474 0.845 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508094927 QWLVJEDYLPSXEJ-HNNXBMFYSA-N 442.476 0.809 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H](C)C2)CC1 1539429734 CCMLJVXJAPHELO-ROUUACIJSA-N 437.614 0.375 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1547715520 LACAMMXMAFLRKF-KUOYXJDGSA-N 442.524 0.286 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCN(CC)CC1 1587562999 WCEJIFYRNHVTNT-IRXDYDNUSA-N 425.603 0.374 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1588138282 BQEREFBNSKTNHY-QGZVFWFLSA-N 443.529 0.975 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)CC1 1588923530 CMUIKXSLJAPQRN-OPAMFIHVSA-N 440.504 0.696 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1589070929 ZETIPMYVBUBXMA-HZPDHXFCSA-N 428.580 0.788 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1595715658 ZRFZELSGQDBVEC-WMZOPIPTSA-N 429.525 0.955 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)cn2)CC1 1627015560 VSKLXXVZWBESEA-UHFFFAOYSA-N 426.258 0.584 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC2CCN(CC#N)CC2)C1 1627910064 SFBZUYGUCDYCDJ-MRXNPFEDSA-N 428.555 0.762 30 10 ICEE CC#CCN(C)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1645926610 VJXABOAODDAPID-UHFFFAOYSA-N 427.505 0.904 30 10 ICEE COC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 1653865269 OUASLVGQANGYPP-USXIJHARSA-N 428.445 0.705 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1683847655 XTDPBKHBWXTVCG-SFHVURJKSA-N 437.522 0.081 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1689929784 DSQXBYJULQRIHC-INIZCTEOSA-N 443.595 0.359 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N1CCOCC1 1690017656 IUFZDEAPEQKCFG-UHFFFAOYSA-N 448.531 0.384 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1690019485 JYJLCORXJBDIQZ-SFHVURJKSA-N 429.502 0.438 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1690731667 PQDBRLMMEBTDJI-MRXNPFEDSA-N 441.554 0.462 30 10 ICEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1691871432 SWXFJIGHIANMKW-INIZCTEOSA-N 437.508 0.983 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1695503751 CQHIWFPVWNHPCC-MRXNPFEDSA-N 438.492 0.421 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CCO1 1696963397 CPZSJUNZIRIDHI-INIZCTEOSA-N 425.493 0.540 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565771 VXZSBMFYNQDIMV-ZWKOTPCHSA-N 446.577 0.631 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)CC1 1705639793 WOEDVURSPHMGPU-RBUKOAKNSA-N 434.610 0.810 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705829255 LMLJLMVPNXAONY-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1722366779 KJSQROJYUVRPHS-QZTJIDSGSA-N 449.577 0.715 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1722588041 IMXUIJKJWMYTOZ-HUUCEWRRSA-N 442.586 0.913 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1731183665 UXVIPAVMYIMXAP-FZKQIMNGSA-N 436.469 0.532 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740627359 PQEIBQJFBRJFOO-HOTGVXAUSA-N 444.579 0.234 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740951082 PNSCCGJYXCOVFH-IAGOWNOFSA-N 434.541 0.883 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1740960260 ODGDUPQSGFAIEV-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1743196238 ADLALOVFZBEPRC-HNNXBMFYSA-N 437.504 0.766 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1748818329 YXAYCOFHBUSGRQ-IRXDYDNUSA-N 449.577 0.715 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1748864514 YMPQVAHCDDAGBH-OAHLLOKOSA-N 443.533 0.753 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(F)F 1760116268 GNMOGKAAVSBZSF-KGLIPLIRSA-N 435.497 0.741 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760137586 KUJQAOAFHHLBFQ-HOTGVXAUSA-N 443.595 0.502 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1760188090 HKPVLPSKJGDYGE-FGTMMUONSA-N 445.545 0.815 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767382592 AGUZYUAKTAGAOK-UHFFFAOYSA-N 439.520 0.444 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1770748246 NEENYBMKDPOHHC-DLBZAZTESA-N 446.533 0.879 30 10 ICEE CC1(C)OB(C2(C(=O)N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)CC2)OC1(C)C 2255649955 AEZOEWUGCJPXQY-WDEREUQCSA-N 433.236 0.994 30 10 ICEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CN1CCN(C)CC1 466132653 LUZJQMYQORZWAZ-SFHVURJKSA-N 448.593 0.458 30 10 ICEE Cc1cn2c(n1)CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 611802269 YQOFKLUZHXCYGP-UHFFFAOYSA-N 428.518 0.412 30 10 ICEE CCc1c(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 754348964 XNRJCRGCFVTVQX-QKVFXAPYSA-N 429.477 0.794 30 10 ICEE C[C@H](CC(=O)NCCC1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 768502776 AWBFNKCXTYBBCM-CYBMUJFWSA-N 427.548 0.835 30 10 ICEE CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 782107949 NKIOASZPYYBFNF-HXUWFJFHSA-N 438.532 0.488 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799740730 AEMIDVRMGDTRGT-WUKNDPDISA-N 428.417 0.276 30 10 ICEE C#CCNc1nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n1 804523664 YIUIFLCUJSMOGS-RNGXCGTMSA-N 438.536 0.759 30 10 ICEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1255242998 RJEXBXQOIVRZDK-YJBOKZPZSA-N 425.532 0.602 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286393004 JTEJFFSTDQKTEC-HNNXBMFYSA-N 445.611 0.433 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1286432015 VSTNESCFOXQTLW-MRXNPFEDSA-N 425.580 0.827 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286489651 BAGCIXULIZRUFP-INIZCTEOSA-N 444.561 0.684 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286785458 FYSJCRRDAFHGAV-HOTGVXAUSA-N 428.497 0.326 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286787486 GQTLBXSKKIJRKR-KKSFZXQISA-N 429.525 0.960 30 10 ICEE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1290932523 YICHKHRUBWIXRW-INIZCTEOSA-N 441.550 0.399 30 10 ICEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291287413 BCLYSXBAVIPKSO-ZWKOTPCHSA-N 431.541 0.744 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCN(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1293712422 CFQKXNIUHDMCLT-OAGGEKHMSA-N 426.539 0.324 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 1300410366 MZPHYYHNXYGOAH-INIZCTEOSA-N 440.570 0.233 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301490910 HZYSJBMOAMNXPP-SFHVURJKSA-N 438.536 0.385 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301510071 SHOMVZMBCMRQLC-OAHLLOKOSA-N 447.540 0.806 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)CC1 1302923978 HBGMCKSJTNQQLA-CVEARBPZSA-N 428.555 0.634 30 10 ICEE C#CCN(c1nnc(CC)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358963415 HJWUZHUGIADLRR-QGZVFWFLSA-N 445.545 0.993 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1469730895 ZMHWRLSJARKNGG-KGLIPLIRSA-N 425.486 0.218 30 10 ICEE C#CCN1CCC(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1471321045 WAORCMKCVHQTJD-QGZVFWFLSA-N 442.582 0.807 30 10 ICEE N#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1473780735 AIQGAQDFVCXABH-INIZCTEOSA-N 434.518 0.526 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1494478031 INTIVIGHLVFVOC-GJZGRUSLSA-N 434.522 0.892 30 10 ICEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1516966621 OSSCCZFDSWGHLG-MRXNPFEDSA-N 437.508 0.301 30 10 ICEE COCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C 1519223320 VHUZPNYAMUAIKW-CVEARBPZSA-N 448.549 0.850 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1539325902 PRUUWJUTXUZUJF-RXVVDRJESA-N 449.577 0.889 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1555610961 NNNZHIQTLBXXOR-UHFFFAOYSA-N 429.525 0.874 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1I 1561155229 YARUJYHAHRJMOU-VIFPVBQESA-N 445.304 0.389 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588055294 VCZGGADZFIEKPZ-AEFFLSMTSA-N 443.529 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588924206 XKFGLMUJVRJIHA-HKUYNNGSSA-N 441.536 0.696 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC 1595490136 NIICNBADGTZHTK-UHFFFAOYSA-N 438.330 0.921 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1610312632 BALZAQLWYKZNFE-UHFFFAOYSA-N 437.570 0.858 30 10 ICEE CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1615241454 CWEBIYRINLXMQZ-ZFDMEJTGSA-N 436.538 0.941 30 10 ICEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1615916374 BFDSGIDROAVQQR-KRWDZBQOSA-N 428.514 0.979 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1620025073 MVGXGECJPOYMJB-XHSDSOJGSA-N 442.542 0.155 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)CCO1 1620356532 AYRIDVRZYXYMCF-KRWDZBQOSA-N 429.525 0.922 30 10 ICEE N#CCc1ccccc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1621990284 IENHUSQRYZGVPF-UHFFFAOYSA-N 449.510 0.875 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc4cnccc34)c2C)CC1 1644281785 LIIYBXXPBQNHJU-UHFFFAOYSA-N 439.501 0.349 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 1679669637 JQVZGVBFVDCFGG-MRXNPFEDSA-N 439.925 0.240 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCOCC2)C1 1690687026 XSGGGFFXIPUDTL-GVDBMIGSSA-N 442.586 0.390 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705515360 BVEBCLYIJNJVLQ-KRWDZBQOSA-N 441.536 0.304 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705603036 IFPDGBYTNQBGFE-UHFFFAOYSA-N 437.504 0.237 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1705636623 RIPDQIZZAGORKA-HSZRJFAPSA-N 440.548 0.784 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705728909 BXXHDSCJQKZIPG-MRXNPFEDSA-N 445.524 0.580 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)C1 1705917318 WAWITLJYENWVQZ-RBSFLKMASA-N 440.570 0.584 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722697603 NFKPRJZEZXJZSS-UHFFFAOYSA-N 434.508 0.771 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1728263482 CMCRMWYANRVDAK-QGZVFWFLSA-N 446.533 0.830 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1730945958 JEYUGHFXQOEFPC-AVYPCKFXSA-N 436.488 0.726 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1740960453 RZCTYCNRZBINDO-GDBMZVCRSA-N 435.506 0.653 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749210844 PHGHJZBHPGJHFO-GOSISDBHSA-N 447.584 0.752 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1749458000 UWTJMHZGIWYWRZ-MRXNPFEDSA-N 429.543 0.430 30 10 ICEE CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750204925 RACGNLZALVZXDX-UHFFFAOYSA-N 439.501 0.843 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1760219452 FLWVRYDKKPCVJO-LJQANCHMSA-N 442.545 0.712 30 10 ICEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(=O)(=O)CC 1763123397 BXZSFISHOSTEPD-UHFFFAOYSA-N 431.566 0.974 30 10 ICEE C#CCN1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286058192 WFRPHTIBZOSTNZ-GOSISDBHSA-N 437.518 0.471 30 10 ICEE C=CCn1ncc(NC[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2358562759 KQQHALXPALBUEU-SCRDCRAPSA-N 445.314 0.945 30 10 ICEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32718193 LEPJHLVHOXJVMU-QGZVFWFLSA-N 443.529 0.989 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447780074 WJDSAUYJRMZMSW-MRXNPFEDSA-N 449.536 0.936 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 514835936 XTJUKIMKLWHWAT-UHFFFAOYSA-N 430.530 0.254 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCCOC)C1 549270985 YEJHHKPFXVTQPV-IAGOWNOFSA-N 443.570 0.676 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1 727416023 CTWQSZSWAKYZRX-UHFFFAOYSA-N 425.441 0.993 30 10 ICEE C#CCCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 744366204 HOHAGUQVAZWUCB-LJQANCHMSA-N 435.546 0.884 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749862398 QQURYZBNXOSAGC-MRXNPFEDSA-N 449.536 0.719 30 10 ICEE C#CC[C@]1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 763952692 ABFQAUPLVKKTDN-HSZRJFAPSA-N 448.564 0.782 30 10 ICEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 769722313 WGIZTTLYEVJFDE-UHFFFAOYSA-N 448.233 0.682 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 917925708 KJORJEGHKKOGJZ-HNNXBMFYSA-N 448.588 0.794 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 918754925 KJVGBMWZRVHBFM-MRXNPFEDSA-N 442.559 0.988 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(Br)cc1 1230498549 FTZRZPKLBLINDM-OAHLLOKOSA-N 432.282 0.664 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1286349580 KFJZCWLCFQJXGP-JKSUJKDBSA-N 448.553 0.494 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1288801711 AGLAKGXAXRQKDZ-JSGCOSHPSA-N 430.556 0.063 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1300362860 ARUPDSHIIIMBJI-CABCVRRESA-N 426.543 0.115 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1300455657 NXINGFBUVWKJDU-UHFFFAOYSA-N 443.533 0.855 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300492901 PNIRWKRYFSWSJX-WBVHZDCISA-N 429.502 0.610 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301223636 ZWEARCXQVHXSAZ-SJORKVTESA-N 440.570 0.682 30 10 ICEE CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1307681880 BCBMPNAJLDAAJQ-GJZGRUSLSA-N 426.477 0.959 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCOC(F)F)cc1 1316531929 VFUSRJDMMPJUPZ-HNNXBMFYSA-N 445.430 0.593 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1358958498 PMKYOGWTKXZGDV-HNNXBMFYSA-N 440.547 0.908 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359045056 VNSSOPKMGQHMCE-RDJZCZTQSA-N 435.550 0.183 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305770 MJSHVRSOQYODOX-OAQYLSRUSA-N 444.540 0.741 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N=S(C)(C)=O 1451984938 YGENUPDJAJZVFK-ZDUSSCGKSA-N 428.536 0.510 30 10 ICEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1456987588 YLLYGPOUOWMAQB-OAHLLOKOSA-N 435.481 0.695 30 10 ICEE C#CCn1cc(CNC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cn1 1472558380 YAACEBHAUZGCLW-UHFFFAOYSA-N 431.518 0.593 30 10 ICEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1503970877 GZQKYLLTNBULHL-MSOLQXFVSA-N 437.504 0.635 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507639072 JCOKRNPICVFOBL-OAHLLOKOSA-N 432.506 0.372 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)CC1 1507740132 ITDOLMBIWGTDTK-SFHVURJKSA-N 444.536 0.172 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1508095064 RYWOACPEPMFARI-MRXNPFEDSA-N 446.483 0.640 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1Cc1ccc(C#N)o1 1509680047 SINGWAQFIKWPDD-UHFFFAOYSA-N 437.464 0.516 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1512457257 SIQZXFXNEOWPPJ-NYAYQYMKSA-N 443.508 0.365 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1539178345 GZPHFAHIPJMLEY-INIZCTEOSA-N 438.554 0.129 30 10 ICEE CC(=O)c1nn(C)cc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1559479387 DZKIJJGMVDBFBY-UHFFFAOYSA-N 431.474 0.406 30 10 ICEE COc1nn(C)c2nc(C)c(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c(C)c12 1585131978 HALHWMRTLUCGQZ-XOBRGWDASA-N 431.518 0.923 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1588968328 IGBJICRPSTYXSC-UHFFFAOYSA-N 425.580 0.894 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)F 1611706573 ATCAYXHXGNPIQP-OCCSQVGLSA-N 447.512 0.694 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C[C@H]1CS(=O)(=O)C2 1618171786 MHNCBPHFLNBYJW-ZUZCIYMTSA-N 440.279 0.692 30 10 ICEE COCCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1619812684 BXIIRCRWIHGPLH-HZPDHXFCSA-N 442.542 0.156 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 1632960412 GLZGCVAMCUMYQH-UHFFFAOYSA-N 434.547 0.484 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1644940790 DZZSKOIIPZENTQ-YUELXQCFSA-N 427.548 0.689 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1648004743 DFUCDMZAOKGFCD-MRXNPFEDSA-N 428.894 0.844 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690186118 LQGOORBJDSYSLJ-JXFKEZNVSA-N 434.566 0.899 30 10 ICEE C#CCSCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186444 QHUNBKYNEFCNIX-JXFKEZNVSA-N 437.566 0.636 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1690644575 UGIOHCFCRFSFGB-OAHLLOKOSA-N 429.543 0.632 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1690673569 XZUWRJCJGDJUID-UHFFFAOYSA-N 432.550 0.561 30 10 ICEE CCOCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696253246 VQKPSRPFDHPFEX-DVSFIDLUSA-N 445.524 0.646 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1705534369 GULASPFAPGEAHX-DLBZAZTESA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)CC1 1722441046 NMZKAHOSEZFJAR-UHFFFAOYSA-N 425.493 0.065 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722452604 VCUBWUFDSHBRGO-ZNMIVQPWSA-N 440.595 0.217 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1722528432 GIMXTPPTXXPRKA-AWEZNQCLSA-N 428.559 0.443 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1722725408 LCHWIHHTZKUKAL-UHFFFAOYSA-N 433.538 0.792 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740693848 OYNVHCUIPZAQOY-QGZVFWFLSA-N 429.550 0.377 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760146031 ZYBXWRUDBZAENO-RHSMWYFYSA-N 429.568 0.317 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1760205755 IVOKSXQDGIBHDF-INIZCTEOSA-N 425.580 0.827 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)CC1 1760269192 BEHZJAQYBGJKET-KRWDZBQOSA-N 440.504 0.657 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccn2)CC1 1760555286 BKPUQVBPZKAJLT-INIZCTEOSA-N 433.538 0.499 30 10 ICEE CCc1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763132677 XTEUCGJDJUQAPG-JVMRMLDLSA-N 429.525 0.668 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1=O 1767526193 HWNPPTQEAUCYQW-PMERELPUSA-N 428.518 0.918 30 10 ICEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769727939 IDKWNYBOHPXUHY-HUUCEWRRSA-N 425.497 0.642 30 10 ICEE Cn1nc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255611236 RZMLFTDLNIJGQS-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2315539190 STEBALJAOTUACY-OLZOCXBDSA-N 436.318 0.741 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2317605508 LYNCXAUKIWQHKP-LBPRGKRZSA-N 439.322 0.384 30 10 ICEE OC[C@@H]1O[C@H](n2c(NN=Cc3c[nH]c4ccccc34)nc3c(O)ncnc32)[C@H](O)[C@@H]1O 254606835 PQLLPXFBPVTMJG-AZAGILFBSA-N 425.405 0.071 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 461307240 IHQZRJZEYCMULF-UHFFFAOYSA-N 433.538 0.491 30 10 ICEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480534972 YPPYVOFCDCWKQA-UHFFFAOYSA-N 442.607 0.923 30 10 ICEE COc1ccnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 480645949 QQSONAMJZSGVIB-AWEZNQCLSA-N 430.490 0.372 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 486473632 FSTOTEVSQAKXBC-UHFFFAOYSA-N 427.502 0.528 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@H]1CCCO1 603923517 CCDDIXDJAVQJJH-OAHLLOKOSA-N 427.482 0.124 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCOCC 729671275 SYICQTDMQVOLIE-UHFFFAOYSA-N 437.525 0.789 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780859197 YKNUIQQFLILSAE-KRWDZBQOSA-N 449.510 0.973 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916178019 GSVRROMEVBCGEI-UHFFFAOYSA-N 449.510 0.839 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCN3CCOCC3)c2=O)cn1 918729737 NXKNRXJRRXYNDL-UHFFFAOYSA-N 443.573 0.484 30 10 ICEE C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 1168910741 FDHWQMHHDUJLIG-ZDUSSCGKSA-N 428.536 0.255 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCS(=O)(=O)CC1 1290864899 DEFHMLFUIVVDJW-AWEZNQCLSA-N 430.538 0.788 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297758077 RGKDKNRKSIFINB-MRXNPFEDSA-N 432.554 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1300700776 WDAHWEKJRMOTNU-GOSISDBHSA-N 448.593 0.242 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1301613479 YYCICGYMTMLMRG-GJZGRUSLSA-N 431.584 0.755 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358930249 QUFMKWXOXPJLSG-IAGOWNOFSA-N 448.593 0.383 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359126390 NWZGKDKTODOCKI-KSSFIOAISA-N 426.543 0.197 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359132540 ADFNYECHYKDUOA-DNVCBOLYSA-N 439.538 0.804 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359508084 MZPQSOXUTGNYQM-LVWMNBHTSA-N 427.509 0.818 30 10 ICEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1=O 1437140404 AGMHFTASSYNVAN-FQEVSTJZSA-N 441.469 0.761 30 10 ICEE C=CCOC[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1467515358 GZHDXJKDOIABOK-VJIACCKLSA-N 431.489 0.760 30 10 ICEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1502545404 YLJYABATIVZTBN-QGZVFWFLSA-N 437.504 0.779 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1503672023 FBSCYILRDRMTKU-QRWLVFNGSA-N 444.517 0.556 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632615 OHFRSIKAGKLUKQ-RCCFBDPRSA-N 437.566 0.129 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC(F)F)CC1 1507737897 GTVMXATTZHTVAE-HNNXBMFYSA-N 438.479 0.867 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1508090507 IXQRVQZLNOORKX-CVEARBPZSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1508091878 PLJDCVLDZQAPBD-HOTGVXAUSA-N 444.540 0.913 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1509684053 LKPFBPHTZQFWLX-KRWDZBQOSA-N 430.557 0.755 30 10 ICEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1519525318 WJALVPPULRNQBD-FQEVSTJZSA-N 428.518 0.968 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1539369345 KHLUVEWMYJCBFL-CYBMUJFWSA-N 443.480 0.710 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1539967271 PRKNRBKVXUPRNT-XHSDSOJGSA-N 427.527 0.529 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1540869765 VYOGGBRWUHREGY-MRXNPFEDSA-N 435.492 0.125 30 10 ICEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 1541455264 RYXBTELWEPRFPE-UHFFFAOYSA-N 425.493 0.870 30 10 ICEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)c12 1542125340 QPWHWFBSYBEVFM-AWEZNQCLSA-N 436.515 0.314 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1545601992 VEPRAOCOWAOEKJ-INIZCTEOSA-N 431.555 0.804 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N(C)Cc2ccccc2Br)c(=O)n1CCO 1559456655 JLXKDJHDTTVATJ-UHFFFAOYSA-N 435.278 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C)CC1 1588929496 BGIUVERDSJCNSD-WBVHZDCISA-N 436.582 0.096 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1593636462 MFKONCIUUWZEFP-HUUCEWRRSA-N 436.542 0.657 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2CCOC[C@H]2C1 1595811793 AXWUZZADDXLUFM-GOSISDBHSA-N 432.550 0.386 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1595884664 PWDIVUKCEGDGPR-MRXNPFEDSA-N 429.612 0.868 30 10 ICEE N#Cc1cc2c(n(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c1=O)CCN(Cc1ccccc1)C2 1614739369 CPWQQIATGRIGRU-LJQANCHMSA-N 440.525 0.582 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1617369231 LEEHUJUODRTEII-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)n1C1CC1 1641347507 TVXCODAAAPCKKX-UHFFFAOYSA-N 441.463 0.817 30 10 ICEE CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646147494 JMDAFKWGFYXKGI-MRXNPFEDSA-N 425.445 0.984 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@H](O)CC3(C#N)CC3)C2)CC1 1652829952 HWVKOILASSEZAR-OAHLLOKOSA-N 428.555 0.608 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1690104147 NVXADZWORUOGLE-GFCCVEGCSA-N 425.433 0.259 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694366924 GFHTXXFFHBOWJB-QFPXGYFVSA-N 445.524 0.948 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCS1(=O)=O 1705552147 IRCWXEOEFFQVOQ-UHFFFAOYSA-N 444.565 0.557 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1705627623 MHSCKXHYQQPKGL-INIZCTEOSA-N 426.525 0.876 30 10 ICEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722332646 BUPGCLGLHJCFSU-MRXNPFEDSA-N 442.524 0.052 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722362097 SBNCDYWOEJTDJM-QAPCUYQASA-N 436.563 0.173 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722698442 ZEKXYHUQEFDLLA-QGZVFWFLSA-N 426.525 0.586 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1722729624 RFYHNGBSZNLRSS-CQSZACIVSA-N 438.579 0.936 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1748790278 IAVOQWQECMOPJX-AWEZNQCLSA-N 435.535 0.438 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1748972470 KISIZXMMWAULDS-SJORKVTESA-N 449.581 0.539 30 10 ICEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749291900 KKAHEKXGPZCJCA-RTBURBONSA-N 426.539 0.636 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749660399 OJJNRQFFXCPXMS-RHSMWYFYSA-N 440.504 0.979 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1760175845 SQJATILQWSUWJD-RBUKOAKNSA-N 447.561 0.938 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760188444 KUSWQXNCPPWUKI-OLRZCDJHSA-N 433.559 0.878 30 10 ICEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760239392 HMEQJUKRCVRQNX-FQEVSTJZSA-N 434.518 0.875 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760356372 LXBIRUWKONBBPJ-JKSUJKDBSA-N 440.570 0.588 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760522996 JAEWAGCIZKSLPI-KRWDZBQOSA-N 437.508 0.756 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760548656 MKXRBEDCJPHPTE-LJQANCHMSA-N 438.554 0.817 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1772564409 WUTBCPQMZKWCCO-KXBFYZLASA-N 438.554 0.244 30 10 ICEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)[C@H]1CCN(C)C1=O 1849008775 RRZHWWZGZHRKBL-STQMWFEESA-N 426.461 0.340 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)n3nc(C)ccc3=O)CC2)CC1 1889382391 SUYPVPCWULNUPU-FQEVSTJZSA-N 429.565 0.761 30 10 ICEE O=C([C@H]1CCCCN1CC#CCN1CCCC[C@@H]1C(=O)N1CCOCC1)N1CCOCC1 472578590 GQIILMSTAJQVHT-FGZHOGPDSA-N 446.592 0.416 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCCO1 480939927 YJLJVQXBTFAORB-CYBMUJFWSA-N 449.554 0.425 30 10 ICEE N#CC1(CS(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCC1 521115947 BVQRSRCYOPMIMS-UHFFFAOYSA-N 427.504 0.444 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C[C@@H]1CCCO1 543659392 WTGFMMISTGUQEW-HNNXBMFYSA-N 428.470 0.555 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO2)CC1 562762113 XNMFCKQOQCDJOA-KRWDZBQOSA-N 431.541 0.117 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 564378295 JTJLKTVATROSFD-UHFFFAOYSA-N 433.465 0.524 30 10 ICEE N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 573666428 FHNNTVOBCVRDFR-UHFFFAOYSA-N 433.445 0.510 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619710085 CHEKIDHGMMTZLV-GJZGRUSLSA-N 436.538 0.973 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 732465154 FKJLMFFXBGNGSC-VHEBQXMUSA-N 447.517 0.370 30 10 ICEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC)[C@H]1CCS(=O)(=O)C1 812023718 BVTGOUHNFUEIIL-AWEZNQCLSA-N 426.502 0.839 30 10 ICEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCN1CCc2ccccc21 919034623 WVKNBSNHUJHANH-UHFFFAOYSA-N 442.497 0.559 30 10 ICEE CN(C)CCN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1164527889 VSKMTEZRTRWSOB-UHFFFAOYSA-N 449.577 0.518 30 10 ICEE COC[C@@]1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)OCCc2ccccc21 1251591403 NVDDNDAAJJEECJ-OAQYLSRUSA-N 425.445 0.501 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1286485507 OCWIHMZBDNCKGI-UYAOXDASSA-N 444.580 0.811 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286785584 OOSATMWMVDNGNF-QGZVFWFLSA-N 440.552 0.708 30 10 ICEE CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1296203490 ADHDYZZICIAFFB-IBGZPJMESA-N 449.625 0.948 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300502728 WHVMASNNUVNEBL-HZPDHXFCSA-N 437.591 0.923 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1300806459 VWDGXWVJGUFRPW-VQIMIIECSA-N 433.538 0.385 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1300971451 AAIIRVCTPRIAOF-OAHLLOKOSA-N 442.586 0.928 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301587667 XIKFGVVFYOBPKV-QGZVFWFLSA-N 430.534 0.676 30 10 ICEE CN1CCn2c(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2C1=O 1303244696 HIKWFLDDEHWEBV-CYBMUJFWSA-N 441.879 0.601 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1307966084 DAIUKENJZOXFAU-ULQDDVLXSA-N 425.445 0.221 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1O 1315112434 BLPCOJDRLXALBW-NVXWUHKLSA-N 442.476 0.177 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358961972 HXDLZVASMNFWHY-MSOLQXFVSA-N 448.593 0.730 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)S(=O)(=O)CC)CC1 1359035360 RNQWBDAVYUDZPU-GOSISDBHSA-N 438.598 0.947 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1359301879 OFTKPMSAGVQFOE-UHFFFAOYSA-N 426.521 0.775 30 10 ICEE C#CCOCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1457387412 OKAGGVNXWKJMDA-UHFFFAOYSA-N 435.546 0.716 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508390280 WRUHUOAIAJVPIP-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE COCC(=O)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518666787 XJFNQTVSKWRANO-CZIZESTLSA-N 443.508 0.413 30 10 ICEE C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1524331630 QIXFSOBZDDCLFD-UHFFFAOYSA-N 433.530 0.636 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)CC1 1539427677 HCGNTEOOQWYJOJ-UHFFFAOYSA-N 427.484 0.882 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1540871972 YWMAFPGJHABWQF-CQSZACIVSA-N 433.538 0.385 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)C1=O 1584254742 MWBIAUAKMSSQAQ-LBPRGKRZSA-N 438.362 0.600 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1588050804 VEJJNGGUCOEHDM-LSWWBPAMSA-N 446.533 0.292 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1636857033 REIXUDOBDFWHDO-XVHSMQKNSA-N 442.559 0.840 30 10 ICEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1643807434 WVXJDZBOERJYCK-UHFFFAOYSA-N 435.481 0.913 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1689966224 NHNYRKZYBPEWMN-KRWDZBQOSA-N 430.534 0.530 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1690684792 OAZHKLFKTXJVNR-CABCVRRESA-N 431.497 0.284 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1705661888 KZCMYXHFWLKJOB-MRXNPFEDSA-N 447.590 0.663 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705900061 OQTZMXLKQLFYTD-UHFFFAOYSA-N 449.519 0.406 30 10 ICEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1710904216 XVAMZYGKSXAQEK-CALCHBBNSA-N 448.505 0.230 30 10 ICEE CN(C[C@H]1CCOC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711157430 WTQZQLUBNJVDKF-KIJUOZEOSA-N 443.508 0.513 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722359120 QBHZFXPYBQKEBI-IAGOWNOFSA-N 437.566 0.812 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(CC)CC)CC1 1722431988 RJUPEABXPBKEPB-IRXDYDNUSA-N 425.603 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CC2)CC1 1722440280 BPMOVJVNBYAKFA-WJOKGBTCSA-N 446.577 0.391 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724014286 AFDDBFMAFGQQOI-UZLBHIALSA-N 449.581 0.812 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1729739873 VJUWRIYQIQKQFK-QGZVFWFLSA-N 441.521 0.799 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1741131200 DVPTYTOSWNCQRQ-WMLDXEAASA-N 425.493 0.641 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749677799 LDQSVPAJJJEMRM-IAGOWNOFSA-N 426.525 0.689 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1750155014 WIBVPVSTXBOGQR-KSZLIROESA-N 434.541 0.842 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760440797 QMHOFAFSLZWACA-KXBFYZLASA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760521148 LBFLNHIXTIXJNA-SOUVJXGZSA-N 447.540 0.881 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760525349 CBRMIMDZTWBQKJ-GOEBONIOSA-N 429.550 0.993 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1762689916 ACGJSMSBWRZGRV-AWEZNQCLSA-N 431.522 0.375 30 10 ICEE CCNC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1765641024 UAQWSZFJQJSITP-INIZCTEOSA-N 427.509 0.943 30 10 ICEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243686575 NYJJQRSIVFSEKR-SNVBAGLBSA-N 428.320 0.473 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@H](N(C)C)[C@H]1C2 198633945 KTTKGQINVKPHLY-XRFBYRFRSA-N 426.425 0.456 30 10 ICEE Cc1nc2n(/c1=C1\C=CC(=O)C(F)=C1)C=CNC=2NCc1cccc(S(C)(=O)=O)c1 205266591 FMPMDDXNJAHEGJ-XDJHFCHBSA-N 426.473 0.625 30 10 ICEE CC(=O)N[C@@H]1[C@H](ON=C2C(=O)N(CCC(C)C)c3ccc(C)cc32)O[C@H](CO)[C@H](O)[C@@H]1O 254735637 ONWZAILBZBASBJ-QQRBNAFBSA-N 449.504 0.052 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 439898748 GMGUPIIOMQZEKU-LUKYLMHMSA-N 436.486 0.716 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 734601126 BMMUJYMNLLMGJL-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 755629534 WVIKQBWLUHKZPB-UHFFFAOYSA-N 426.546 0.127 30 10 ICEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cn1 917768627 RENOHTXGJOEIKH-MRXNPFEDSA-N 441.557 0.822 30 10 ICEE COc1ccccc1C=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1 1084004786 XTBCFPAYSHXKCK-UHFFFAOYSA-N 427.450 0.684 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)CC1 1191502871 MUHISUJDWMGXLV-UHFFFAOYSA-N 447.435 0.548 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1286395716 UDPKKVPKHBHSQV-YLJYHZDGSA-N 431.518 0.042 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286787271 DWZWHZFRJDTHAM-IRXDYDNUSA-N 431.541 0.666 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1288826347 QWSVNUHTFMJZGV-NVGCLXPQSA-N 427.506 0.245 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1299147798 QTBCCQXSCVSTIR-YGMPWRRSSA-N 429.481 0.023 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1300579479 VXWGKIWTSNIHHY-IAGOWNOFSA-N 438.575 0.468 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1301965083 HIHGHYRWMKTQQP-KGLIPLIRSA-N 441.583 0.204 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358955845 UYZVTVYKAXXMAU-YRNRMSPPSA-N 439.582 0.840 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1359010190 JLCCDWUEOUYDGD-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359058426 CXYKGLUZNQAGIK-INIZCTEOSA-N 442.520 0.521 30 10 ICEE Cn1cc([C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CCN2)cn1 1470879283 FXKHTMMVSHHSEO-FQEVSTJZSA-N 442.545 0.866 30 10 ICEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCOC1 1472191956 OIUQIQBIIBITEV-ZOCIIQOWSA-N 427.523 0.705 30 10 ICEE Cn1cc(CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1478417187 FBIXPQUHSSNWHE-KRWDZBQOSA-N 432.506 0.418 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1503278285 WYMQQNAZMNZNBX-GOSISDBHSA-N 438.533 0.911 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CCCO 1507644143 DSVHAQRVQNBIEK-OAQYLSRUSA-N 445.531 0.840 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([S@@](C)=O)CC2)CC1 1507885289 WNOSGFUJHHOOOP-WQIZZMQYSA-N 443.595 0.679 30 10 ICEE CN(CCN1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1517327688 FDCNYQRYYMMMPU-ISLYRVAYSA-N 431.541 0.870 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1519449818 MOKHLLWARSLYDK-BBWFWOEESA-N 439.538 0.556 30 10 ICEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1539530046 AGWLEOURGMXOCI-CYBMUJFWSA-N 425.540 0.455 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CC2)cc1 1540648050 SZQNPNUZESQDMO-CABCVRRESA-N 433.408 0.737 30 10 ICEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1559899437 HQRUDLXPXNUIOE-OAHLLOKOSA-N 427.910 0.633 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)C2=O)cc1 1622018754 CYXFVYLMLNDFAS-RDJZCZTQSA-N 425.532 0.798 30 10 ICEE CSCC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)c2ccccc2C1=O 1626656228 VGXKAMLRNJUMJA-RISOHXOYSA-N 447.538 0.801 30 10 ICEE COC(=O)CN(CC#N)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1653510900 YOZBZVBQYSOPGO-UHFFFAOYSA-N 438.506 0.269 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705569764 GZHUXCXQFDEKHM-QGZVFWFLSA-N 433.509 0.771 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1705829849 DGHADESZSOUVOK-INIZCTEOSA-N 441.554 0.068 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1722296930 WBRNAHIQWKAZAG-DZGCQCFKSA-N 441.945 0.619 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722360344 GLJCXWWCYVXCNP-FOIQADDNSA-N 430.534 0.389 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1722365259 CTAVDYUCBAGMAW-OAHLLOKOSA-N 449.533 0.795 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1722389585 KAUQLBIANUVTAJ-IRXDYDNUSA-N 429.550 0.810 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722436355 DPMXJYIGYHYPLX-LDSGZGKSSA-N 439.520 0.801 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCOCC3)n2Cc2ccc(C#N)o2)C1 1731016328 YOVHGQWPLZIONC-MRXNPFEDSA-N 436.494 0.351 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1740626268 WHSAGRPGKOAGHK-SFHVURJKSA-N 439.545 0.867 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1740725178 ILJDCQNSXXCFPH-IWMITWMQSA-N 430.509 0.911 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740782106 CDXFRJMTLHZGDI-AWEZNQCLSA-N 431.584 0.664 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1740876142 DHYDNBAYIISTIB-OAHLLOKOSA-N 448.540 0.964 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740946818 IDTXHFASFXZAND-MRXNPFEDSA-N 447.565 0.746 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1741104755 NPGPWFFBQUMIQJ-PMACEKPBSA-N 440.504 0.964 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748820581 FEXUSQJHXGRPHL-QGZVFWFLSA-N 445.549 0.117 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1748950080 KKZCVJCLVYKHPD-XLIONFOSSA-N 440.566 0.839 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1760116138 FMXDDTINJSFDQY-JKSUJKDBSA-N 441.554 0.001 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760470785 CLPMYOZWJHCCCS-UONOGXRCSA-N 446.599 0.325 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760521325 PVGYPCVJGAKTIN-AWEZNQCLSA-N 445.553 0.408 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1764992087 BQOKWVZBXADAAC-INIZCTEOSA-N 431.522 0.471 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CSc1nnnn1C 1870297229 DVQQQPIMUJMOAY-HNNXBMFYSA-N 434.522 0.866 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(-n4cccn4)nn3)CC2)CC1 1889492395 DXNVYPQPKYWYMB-UHFFFAOYSA-N 437.548 0.924 30 10 ICEE O=C(ON1C(=O)CCC1=O)c1ccc(OCCOCCOCCN2C(=O)C=CC2=O)cc1 2060424751 KGIGOODMYDMLJP-UHFFFAOYSA-N 446.412 0.244 30 10 ICEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255616092 XOYHCHUQMAMQSV-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267530978 JGFLVOAUQHBRPF-UHFFFAOYSA-N 449.317 0.161 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 105922298 LHFKVHPQDIAWBN-UHFFFAOYSA-N 425.537 0.885 30 10 ICEE COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 409495802 YXHSPTUXNZREPL-RBUKOAKNSA-N 435.550 0.282 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 503627461 VCVFFISOJLIGBQ-UHFFFAOYSA-N 446.529 0.874 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508823819 FYEROBAOJVXCLT-SFHVURJKSA-N 444.517 0.935 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 508824931 CXLXWNXHRMSHAY-HOTGVXAUSA-N 441.554 0.571 30 10 ICEE CCc1c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513803105 ZSQKQGYPWLSNBT-UHFFFAOYSA-N 433.472 0.424 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCc2nnnn2C)C1=O 771541387 KKIVGYVASBNPNO-AWEZNQCLSA-N 430.494 0.479 30 10 ICEE C[C@@H](CC(=O)N1CCC(CNS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 804328102 XLQKJODVGVSCBE-ZDUSSCGKSA-N 442.563 0.292 30 10 ICEE CNS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1141542403 IHJPTVZKPOYQPV-UHFFFAOYSA-N 425.463 0.961 30 10 ICEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1159656445 JHIZUFDDMGNPIZ-GOSISDBHSA-N 429.454 0.669 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1248619829 GOEXMPKUQYQHCM-SJORKVTESA-N 442.582 0.807 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286776471 ZJQUJOGUSKYXNZ-HZPDHXFCSA-N 426.543 0.150 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1286958749 BKXZBTYVAFAFBX-HUUCEWRRSA-N 425.559 0.887 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300498453 KKZNKQATROYOCU-LJQANCHMSA-N 439.545 0.981 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1300671487 JSIZCQXQMVQPDK-RXAIFQJESA-N 428.580 0.567 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)c1 1303781464 FQMOWCAGCIYZPU-UHFFFAOYSA-N 446.407 0.906 30 10 ICEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOC1 1315268270 BZWJHPDSSGFDOS-KNQAVFIVSA-N 440.504 0.964 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)CC2)cc1 1322318761 BMPNNGKUTIAQFT-FQEVSTJZSA-N 445.501 0.160 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1358930541 XHBVTUPNCGVFAU-HZPDHXFCSA-N 438.554 0.116 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1359058127 TUVXGQBMFOVBAR-JKSUJKDBSA-N 443.595 0.593 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)CC1 1473659887 PTJZWIIJOXSEIT-HNNXBMFYSA-N 425.580 0.446 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494143570 ZPLOSJQGLNXLTE-HFUDNHEJSA-N 429.481 0.266 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1=O 1503673203 CQUWFILAQILACW-FQEVSTJZSA-N 446.533 0.688 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507512314 GJSDOAUMRMDBSY-GJZGRUSLSA-N 431.522 0.665 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnn2)CC1 1507734564 ZUEDFAPEXPQXCI-UHFFFAOYSA-N 439.524 0.162 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C(C)C)CC1 1507738424 OWCCQEYKGHOJPS-UHFFFAOYSA-N 440.552 0.807 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1508145601 NFRZQCSOFZSSIB-LSDHHAIUSA-N 432.568 0.254 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1519451836 YFPMJEMLHXIKIG-XHSDSOJGSA-N 439.538 0.556 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539216066 NFNQQFQZRZVGKJ-SJORKVTESA-N 431.518 0.691 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539221893 SFBIZAQFCLQRKH-AEFFLSMTSA-N 443.529 0.935 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1539267113 WJCMLMXKDVJKPX-QGZVFWFLSA-N 446.554 0.705 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1540005591 MEHIGXBHFZZFTD-OAHLLOKOSA-N 442.586 0.928 30 10 ICEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1543122179 QNJPLOMKOQYHAT-DLBZAZTESA-N 435.502 0.749 30 10 ICEE O=C(N[C@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1556782521 JWSNSTBMAHGGLO-STQMWFEESA-N 431.536 0.784 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1593636451 MFKONCIUUWZEFP-CABCVRRESA-N 436.542 0.657 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593736095 WTDWTONSFPBJPI-UHFFFAOYSA-N 442.524 0.501 30 10 ICEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)OC 1613640513 ASRVVSAVMZRQMY-CPUCHLNUSA-N 430.506 0.478 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1618842032 GEKQZQULOCQMFO-HZPDHXFCSA-N 429.506 0.081 30 10 ICEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1620357393 GMKMEMJDYUVAIM-ZDUSSCGKSA-N 448.471 0.989 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 1640509029 HNQSDFVIVRRQNO-ICSRJNTNSA-N 444.557 0.674 30 10 ICEE C#CC[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1643533279 RLUISJPQEXUJES-DOTOQJQBSA-N 449.529 0.632 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1660447372 KKPXDZZMGPMWGR-FBBABVLZSA-N 445.520 0.405 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1690077248 LKUIUGLCBCWPNX-BBWFWOEESA-N 425.555 0.622 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)C)C1 1690714208 HLGDNNAAONHYSI-INIZCTEOSA-N 425.555 0.976 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCOCC2)CC1 1705642555 XVPVPXFAADUNSZ-HXUWFJFHSA-N 426.569 0.616 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705901564 PHWKXBKPXIRKGE-HRAATJIYSA-N 428.468 0.768 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1712711283 HTXWWGXSRKUAMA-WBVHZDCISA-N 443.533 0.328 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)CC)CC1 1722566257 NUYTTWDFZYNJLW-KUNJGFBQSA-N 431.584 0.536 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 1722707638 VFMGCMCOGMMFQL-INIZCTEOSA-N 431.518 0.730 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1729742899 PZAIMORQBYPDAQ-KRWDZBQOSA-N 441.521 0.799 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740622329 XFMZKCXJVJMGKM-ROUUACIJSA-N 431.518 0.772 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1740678663 PKVCNNNUUIMADG-UHFFFAOYSA-N 446.533 0.979 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(C)(C)N3CCOCC3)CC2)c1C#N 1742668448 ASBRWFDNBKTXJM-UHFFFAOYSA-N 427.557 0.938 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749001330 QBCQLYLJYALZCR-SCTDSRPQSA-N 430.553 0.672 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749671212 ZUHBIOXVMCWVJS-SFHVURJKSA-N 445.568 0.219 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760131533 UPBCZFQLZQSJGI-DLBZAZTESA-N 435.554 0.794 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1760521055 IPPQBPUQEBHXBB-MRXNPFEDSA-N 429.525 0.513 30 10 ICEE COCC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769441777 DXZGLLPBBJYEHM-ZPHPHTNESA-N 445.524 0.806 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)[C@H]4CCOC4)C(=O)C3)C2)cc1 1855847986 WSWLMNACGFMUBV-DLBZAZTESA-N 432.502 0.029 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 670232870 ZWAORJRXPWPAIW-JKSUJKDBSA-N 426.543 0.292 30 10 ICEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706083 DOJRDPQCKAKEFB-PBHICJAKSA-N 449.533 0.137 30 10 ICEE Cc1nc(CN2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 742683508 JZFADDIOOGIQMC-CYBMUJFWSA-N 431.522 0.275 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)s1 748064104 JUYYGIUZQZLONO-UHFFFAOYSA-N 444.582 0.879 30 10 ICEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 774170086 DRJFHXXSFKLFKE-MRXNPFEDSA-N 427.548 0.705 30 10 ICEE C#CCC[C@@H](O)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 799081086 PVSVHBAABMSXSE-CQSZACIVSA-N 431.308 0.693 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799740950 GQRMNCQCABGKBH-WUKNDPDISA-N 444.872 0.790 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 812196496 RTBOXUXGRILMJQ-HUUCEWRRSA-N 444.558 0.269 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 813563877 PJUJINWYBYOLMS-DVYVCARTSA-N 434.566 0.127 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 1140132518 HVYSHLBNMFWBAT-UHFFFAOYSA-N 431.294 0.537 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)CC1 1175523634 UCDKQXGTFWDSSA-HOTGVXAUSA-N 430.571 0.928 30 10 ICEE C#CC1(F)CN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)C1 1176293931 DCHXCMIOAXMNHF-UHFFFAOYSA-N 439.447 0.238 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1286457336 MHINOIVKFPLQKW-CQSZACIVSA-N 436.538 0.889 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286505339 XWOLVUYVZGMARF-CABCVRRESA-N 440.595 0.361 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1286509356 PBBHJOWASTUGKU-HNNXBMFYSA-N 425.580 0.509 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(O)CCS(=O)(=O)CC2)C1 1297793305 CCNYAWIJNRJDKG-UHFFFAOYSA-N 442.335 0.813 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300600931 CCRQHHXDRPRMTC-ULQDDVLXSA-N 426.587 0.847 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(CC)S(C)(=O)=O)CC1 1300700722 UZCUJTJLUFTRJF-GOSISDBHSA-N 438.598 0.947 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1300747083 XJHORHGCTFTWMC-UHFFFAOYSA-N 437.533 0.956 30 10 ICEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1301003716 NVDHGKJFJCGFEZ-KZNAEPCWSA-N 429.477 0.838 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cnnn1 1301279116 WJSSOUYAPDXPTC-UHFFFAOYSA-N 431.526 0.894 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301497113 ORCGGMCEJLHHKR-UHFFFAOYSA-N 438.467 0.973 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955083 DKBMQRGRLBKDJR-BRWVUGGUSA-N 437.566 0.858 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358966731 VSLSIJPXGMRXNX-MRXNPFEDSA-N 443.595 0.187 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359331328 VRXHQPNYRVKNBG-GOSISDBHSA-N 439.563 0.889 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCCO 1507644141 DSVHAQRVQNBIEK-NRFANRHFSA-N 445.531 0.840 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1507723769 TYBNIAFZDWPJDL-QRVBRYPASA-N 443.596 0.872 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507791037 GYQHXEWBDPWWHT-FHWLQOOXSA-N 446.552 0.837 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508079528 YFFJELLOZOANKW-OAHLLOKOSA-N 447.517 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508133452 JLLZWHVNVWOWDC-QGZVFWFLSA-N 441.517 0.631 30 10 ICEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1516127629 BDJQSKIHOWDGGI-TXPKVOOTSA-N 440.570 0.808 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)cn3)CC2)cc1 1531664464 HSXDBOHRSTXRQI-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1539211938 QECFTKLXLBAVDE-OXQOHEQNSA-N 430.534 0.033 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540866411 MOXRKHCLNXDIDQ-OAHLLOKOSA-N 428.493 0.966 30 10 ICEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548319734 QLVIZYGWTLRHBF-ZDUSSCGKSA-N 432.506 0.752 30 10 ICEE COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccnn1C 1584660102 WNHQNEAUNZRKMQ-GOSISDBHSA-N 445.501 0.723 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055573 XSPLDQDWVJYFMX-IAGOWNOFSA-N 449.577 0.845 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1594963577 VCADHIOXQSOPAU-GJZGRUSLSA-N 447.583 0.058 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1595552078 ZYZYCHIBQNVSCX-KRWDZBQOSA-N 446.533 0.607 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1 1624892539 KCGUEKHFOSNREO-OBGWFSINSA-N 431.540 0.176 30 10 ICEE C#CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818650 TXBVHWZLNLWXTQ-UHFFFAOYSA-N 439.538 0.782 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689892960 QNGSOALBZYIDAE-OAHLLOKOSA-N 448.549 0.504 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689988483 PYLYLQFOVXHUKK-AEFFLSMTSA-N 431.566 0.790 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1689998362 KFBFKCVHPVULED-JKSUJKDBSA-N 442.563 0.357 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNS(C)(=O)=O 1690237391 YIGMKJFPNSPBPF-HUUCEWRRSA-N 428.559 0.383 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1691003613 JMCLWGOLYMFGPW-FPCVCCKLSA-N 426.543 0.632 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1705626575 BHQACSCPCJEAPT-QFIPXVFZSA-N 438.488 0.429 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1705884628 UFUHRTXUPHMUMP-QGZVFWFLSA-N 441.598 0.930 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@H]1O 1711460658 NIGUODPMBZRNTG-QZTJIDSGSA-N 426.477 0.703 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)CC1 1722438113 TVFKZYDZAWFFHF-INIZCTEOSA-N 446.581 0.330 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C1 1722717986 FSXLWCPPNFMTIX-BBWFWOEESA-N 441.554 0.429 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1740685550 IIAOUYBKCACLIS-SFHVURJKSA-N 448.549 0.335 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1749130560 MDRXLBUFJWQSOA-OAGGEKHMSA-N 446.595 0.642 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(C)(=O)=O 1751192069 HLAYEMFXTPNWJR-CYBMUJFWSA-N 440.551 0.441 30 10 ICEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1752416059 BTCOGHZWHVSQSG-PBHICJAKSA-N 439.476 0.942 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)CC1 1760254235 RQUFBXFJNGTQGL-KRWDZBQOSA-N 449.625 0.518 30 10 ICEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(CCO)CCO 1870377994 FUOKOJWCDGZENV-UHFFFAOYSA-N 441.484 0.496 30 10 ICEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 410072966 CUPZAUQFVAOFGG-MRXNPFEDSA-N 439.534 0.211 30 10 ICEE C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474846396 VCSPWBXXZRWKHE-AWEZNQCLSA-N 428.536 0.397 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 478068736 SRGDFWHWGVGBNC-LBUQITIBSA-N 440.456 0.801 30 10 ICEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CC(N)=O)c3=O)cc2s1 572790542 ADHFOQASKXKTOG-UHFFFAOYSA-N 439.522 0.095 30 10 ICEE C#CCCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 744366203 HOHAGUQVAZWUCB-IBGZPJMESA-N 435.546 0.884 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749862393 QQURYZBNXOSAGC-INIZCTEOSA-N 449.536 0.719 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOCC 781663272 ZVXBSLDPBYXWKA-UHFFFAOYSA-N 444.557 0.996 30 10 ICEE Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cnc21 918535572 HDNQCXPWFXVANK-UHFFFAOYSA-N 440.363 0.526 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)s1 1137178940 NZKCBOFNSNNONT-SGTLLEGYSA-N 440.547 0.592 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)CNc3ccc(C#N)cn3)ncnc1-2 1144566542 HCSSETAMCRHQSP-UHFFFAOYSA-N 430.270 0.406 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 1188700330 KOMXIWPVCVVXSG-SFHVURJKSA-N 439.394 0.804 30 10 ICEE N#CCC(=O)N1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1194457247 MKCIPEZRZYTWLQ-UHFFFAOYSA-N 433.534 0.858 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1286294918 GUMIDWPGAVSQMY-NXOAAHMSSA-N 425.555 0.620 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1286609261 YZJBYASCZSHDLP-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1286821871 CLSVJHDTEXNAIP-UHFFFAOYSA-N 434.522 0.753 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1299323075 IZRULZVADKOFMW-GJZGRUSLSA-N 426.543 0.681 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1O 1315110617 VUVKOUKWUWRJSY-HZPDHXFCSA-N 433.490 0.222 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1316102000 QNKYIGUQJCKVKT-CVEARBPZSA-N 427.527 0.352 30 10 ICEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358910077 CHCFLOMWIKFRDB-UHFFFAOYSA-N 436.520 0.810 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1358955182 GIHGLBLYQWYDRB-MRXNPFEDSA-N 446.533 0.495 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1359034744 BNHIXWLYBQJFMR-RBUKOAKNSA-N 429.569 0.221 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359040487 WYZURNIZACWQSI-INIZCTEOSA-N 443.552 0.297 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1359305722 LGYZLFUTPKGQLJ-MRUHUIDDSA-N 432.525 0.289 30 10 ICEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)nn1 1465960480 WRNOQRJWEQDJBK-UHFFFAOYSA-N 449.537 0.873 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)n(Cc2ccccc2)c1C 1473820536 BMAMYVZFKOGURJ-SFHVURJKSA-N 442.545 0.798 30 10 ICEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1499949252 FRUJWSBQTURJRX-VGOFRKELSA-N 437.504 0.515 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1507540505 ZSDISFDXQBAARH-WMLDXEAASA-N 447.517 0.846 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507596928 RJEKAZSBHFKXCJ-WMZOPIPTSA-N 444.536 0.343 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098681 QJEKZOZSKUWGIS-IERDGZPVSA-N 434.541 0.713 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508144816 HQKIJJXSMMQODU-OAHLLOKOSA-N 430.538 0.818 30 10 ICEE CN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1517197822 IUMLRVSHAMVRDD-HFUDNHEJSA-N 434.522 0.553 30 10 ICEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539120239 SXSRHGCBRLUQDO-QZTJIDSGSA-N 437.566 0.826 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539201328 ZZXMYELGIYBMQX-JKSUJKDBSA-N 437.566 0.858 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)COCCO2)C1 1540882629 LUXSRJRCCGLITC-RKVPGOIHSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1540897459 JRJIXIXTSZDTNB-CQSZACIVSA-N 433.600 0.910 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1540902717 OUSDRGQKRMALSZ-QGZVFWFLSA-N 447.565 0.948 30 10 ICEE CNC(=O)NC[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1558055934 IAZMFFYGJCKGJW-WZHMAMEKSA-N 435.525 0.930 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587668044 QUXSGXVSMFQKNV-UGSOOPFHSA-N 437.547 0.277 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1595723058 QNIUKBZBPUKHFV-IRXDYDNUSA-N 425.555 0.989 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613341036 BLBIHAAIONKYDF-GGNAOWBESA-N 429.481 0.959 30 10 ICEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 1618708122 MLPFBOANUIZWKC-OAHLLOKOSA-N 433.509 0.715 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 1636475570 NTRCWTSCWITQFU-KRWDZBQOSA-N 433.534 0.542 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1676653715 VUZOOGCRMLQESB-LJQANCHMSA-N 436.582 0.150 30 10 ICEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CCCC1 1682366459 GMWOGIFUTDRZMJ-GOSISDBHSA-N 449.581 0.740 30 10 ICEE CCOC(=O)CS[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(F)(F)F 1687402752 WHEABXSXLQMEDG-MISXGVKJSA-N 443.469 0.793 30 10 ICEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1689916458 KPBBEUJWEVIWBF-UHFFFAOYSA-N 430.534 0.887 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1690052233 DJSMOKLEQMLYRT-UHFFFAOYSA-N 444.561 0.542 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1690206633 WFYBXSYIMJXUKD-KFKAGJAMSA-N 425.555 0.764 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690668849 LQENHKILOOCWBK-UHFFFAOYSA-N 445.549 0.975 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692560801 ZLCYZWKWDAOGSN-MEUCICPISA-N 445.524 0.659 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1705534372 GULASPFAPGEAHX-SJORKVTESA-N 425.555 0.887 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708759322 BMTOJHHISZRCDG-RMYFCYLKSA-N 445.524 0.948 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1722366738 KHDCFUPMWFJGHG-CVEARBPZSA-N 428.580 0.997 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722367332 VWOKWEXIYLMXQU-UONOGXRCSA-N 449.624 0.268 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1723675600 HSTYNFJVSAKKQU-WOJBJXKFSA-N 436.488 0.619 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)COCCO1 1723927595 UGUIUPZDJFXRFC-RDTXWAMCSA-N 426.543 0.824 30 10 ICEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC 1729055747 HJCHPZLWGFJDAA-UHFFFAOYSA-N 447.565 0.952 30 10 ICEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740804707 FTGROPUVRBHAEG-CQSZACIVSA-N 431.840 0.753 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1748906008 NZMQGDCRSRGPQU-AWEZNQCLSA-N 439.563 0.800 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1749130561 MDRXLBUFJWQSOA-PMPSAXMXSA-N 446.595 0.642 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749193268 DOCIBVXCKGQTEV-GJZGRUSLSA-N 431.584 0.522 30 10 ICEE C#CCCCn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760153679 ZITBGHMXOMFCTG-UHFFFAOYSA-N 426.525 0.816 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCc1ccco1 1760210854 XXSPESCKNFAAIL-HNNXBMFYSA-N 432.506 0.261 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1760280664 HBOGSNMKKSELHG-HZPDHXFCSA-N 443.595 0.593 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1760623451 RKXVFHDYCZJBJN-PXWUZIAUSA-N 443.508 0.713 30 10 ICEE CCOC1CC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1766109903 FPVNXBZLGVPTON-SLTXQBBLSA-N 426.543 0.822 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1=O 1853681674 CEIWOEVJOZKONE-IAGOWNOFSA-N 433.530 0.940 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1F 1854935253 OKCGHNLSFYTLFW-CQSZACIVSA-N 438.481 0.572 30 10 ICEE Cc1c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823815 YEIYPEZDOGEXDI-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267520395 LGWNESXMLAWSMZ-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 27560275 YMXNRMAISFEIEN-UHFFFAOYSA-N 428.537 0.283 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)/C(=C(\N)O)C(=O)[C@H](N(C)C)[C@H]1C2 90501304 JGRMIMMCZBOWCW-ATOSHMLHSA-N 426.425 0.456 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 487435790 FGVBXADISUJTGY-OALUTQOASA-N 425.489 0.738 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671797 PGEQHCOUPSVCAV-MRXNPFEDSA-N 437.525 0.764 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671813 PMJIKGDLZNFJGH-UHFFFAOYSA-N 437.525 0.766 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 731351766 WXOAQPLAAZCLKO-UHFFFAOYSA-N 446.573 0.614 30 10 ICEE CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N(C)C 732707739 FKZUUNWIABETFQ-INIZCTEOSA-N 449.533 0.473 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795676 RYKZTXSANAGPMM-INIZCTEOSA-N 445.545 0.132 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 733149126 YWWVSNKVAZIDAM-FQEVSTJZSA-N 442.535 0.891 30 10 ICEE NS(=O)(=O)C[C@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733970889 PEUQMBGZCTVULW-CQSZACIVSA-N 442.563 0.565 30 10 ICEE C=C(COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 734022869 LRBLJPDRTXDLKA-ZDUSSCGKSA-N 436.280 0.751 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 735063066 YKSIWICSSOOHIS-ZFWWWQNUSA-N 442.563 0.434 30 10 ICEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 743908340 CQFADRRALNZHLC-KBXCAEBGSA-N 441.488 0.505 30 10 ICEE CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 747603501 SHRWSIXCUDGTIR-OAHLLOKOSA-N 437.547 0.955 30 10 ICEE Cn1cc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)n(C)c1=O 749375295 ORSIPOLOOCEAFR-WHWKNOJMSA-N 425.470 0.509 30 10 ICEE COC(=O)c1cnc([C@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)s1 1179537721 RGNYGEZGKDNNOD-NSHDSACASA-N 434.499 0.984 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)Cc1ccon1 1286439344 PLMLDTZADQRDTG-UHFFFAOYSA-N 442.505 0.249 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1286472240 WTALERQAEYCNES-IBGZPJMESA-N 429.569 0.116 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286611635 MNXSHRMYVAHCPQ-HOTGVXAUSA-N 430.513 0.907 30 10 ICEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286769576 BLLZJRJMKKFSGQ-UHFFFAOYSA-N 438.492 0.606 30 10 ICEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1300439364 BZQZOETZXMMOBH-UHFFFAOYSA-N 437.522 0.932 30 10 ICEE C#CCN(c1nnc(CC)n1CCCN(C)S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1300499830 XSGMIICSANEGBN-HNNXBMFYSA-N 431.584 0.139 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1300682365 GRGFHTYIIOHHLC-TXPKVOOTSA-N 426.587 0.441 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1301482643 YEQQGDAWRIMIOK-HNNXBMFYSA-N 440.570 0.730 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301584590 BZDKXZFRAOPIDX-HNNXBMFYSA-N 431.584 0.664 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OCCC)CC1 1302924359 KWSGZLNMNBJOFF-UHFFFAOYSA-N 431.518 0.887 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1316285474 PMECDHXPFWWUPD-ZQIUZPCESA-N 430.506 0.383 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1358963991 RAMLSZJVYSGLTM-IAGOWNOFSA-N 431.518 0.861 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358992500 NJFHXRIPXMZBFC-INIZCTEOSA-N 442.520 0.986 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1359240837 YELNVVIYQATUFT-ZDUSSCGKSA-N 440.492 0.727 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)CC2=O)cc1 1469258575 BVTRQPIURWIRPZ-QGZVFWFLSA-N 425.489 0.944 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507914419 KMVKCMNMZBYYEO-ZBFHGGJFSA-N 442.586 0.832 30 10 ICEE CCN(CC)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1515475618 DVTGTSKCMXWDIH-CVEARBPZSA-N 438.554 0.558 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CCO1 1517535890 HTYUBHBKOHQXIA-FHWLQOOXSA-N 440.504 0.819 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539094181 MKDFQORMPCBASI-ZWKOTPCHSA-N 437.614 0.518 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1539416957 WGAIXXLPOFDXCL-HOTGVXAUSA-N 444.579 0.091 30 10 ICEE CC(=O)N(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1540928414 YHWFNJFJFVCJKS-ZDUSSCGKSA-N 449.537 0.848 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 1556585857 GWKZQYJQFBBYDP-HNNXBMFYSA-N 437.522 0.733 30 10 ICEE C=C(C)COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1558950388 RCVDPIGZXLYHSH-UHFFFAOYSA-N 445.563 0.444 30 10 ICEE C#CC[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1625387553 NNMVWKFYMNVYRB-AAEUAGOBSA-N 435.424 0.118 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](C(=O)OC)C1 1632478668 PSZVZILLZFEDNZ-IAQYHMDHSA-N 426.422 0.690 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1638848457 PFCICNQPDJRBCC-QGZVFWFLSA-N 437.493 0.299 30 10 ICEE COc1ccc(CC(=O)NCC#C[C@@H]2CCCCO2)cc1S(=O)(=O)N1CCOCC1 1640375568 VUEXFPGXMPRGAG-SFHVURJKSA-N 436.530 0.947 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)CNC(N)=O)nnc12 1654843693 ZIQXIFSDDFSOPK-UHFFFAOYSA-N 429.506 0.885 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1670892797 CVRKOFJUSMSVBT-MRXNPFEDSA-N 446.547 0.802 30 10 ICEE N#Cc1cn(C2CN(C(=O)NCCCCn3cc(Br)cn3)C2)c(=O)nc1O 1680753379 RPMQNRDXQKXORU-UHFFFAOYSA-N 436.270 0.826 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1690206206 JQTFKPXSGXCYST-JTDSTZFVSA-N 440.591 0.997 30 10 ICEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1698435007 UHDACXKGISWKNU-BBRMVZONSA-N 432.547 0.806 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1705647194 ALYXQBKUCHYOPM-QUCCMNQESA-N 444.580 0.859 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705934389 KXDAOFOUWPDQRN-RDJZCZTQSA-N 430.534 0.964 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1722352844 QAYZXARXGIDBKG-QAPCUYQASA-N 442.611 0.118 30 10 ICEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCS(C)(=O)=O 1726402654 NOJFNTSQRPHVIB-UHFFFAOYSA-N 436.513 0.985 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729768370 MWKJRFZXYVDYDP-LTRYHMRKSA-N 425.449 0.799 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1749668815 FKJHLHNNXACWOV-IAGOWNOFSA-N 437.566 0.878 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749680967 UZKJFJCBFGBDHV-HNNXBMFYSA-N 426.543 0.121 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1760102859 TXFSPARJIBZOAT-CYBMUJFWSA-N 425.536 0.356 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760155405 XLFVCCAGMCASPY-WMZOPIPTSA-N 447.565 0.752 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760194285 FKIFZFLMJZGXTI-INIZCTEOSA-N 438.517 0.590 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 1760261556 NKDRCOBRBDILDQ-CQSZACIVSA-N 439.492 0.575 30 10 ICEE CCOC1CC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1766109901 FPVNXBZLGVPTON-LMPOIIKSSA-N 426.543 0.822 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1772566454 KXOUCGOMULZVBX-LJQANCHMSA-N 437.548 0.896 30 10 ICEE Cn1nc(CNS(=O)(=O)N2CC[C@H](C#N)C2)c(I)c1Cl 2174384708 WEJSBOLZUSUCGN-SSDOTTSWSA-N 429.671 0.858 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2317602472 GBRQIPZXLIAJDD-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)n1C 426257302 PGTGTNOCEFVWLY-UHFFFAOYSA-N 429.502 0.782 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCO2)CC1 555484979 CTVROPHHABHGQJ-QGZVFWFLSA-N 433.557 0.410 30 10 ICEE N#Cc1c(F)cc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1F 581991541 JZHROKWBNHLBCR-UHFFFAOYSA-N 434.424 0.887 30 10 ICEE N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cn1 746371851 KKBKCYLQPTZHMP-UHFFFAOYSA-N 430.852 0.748 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 751924905 PJUJINWYBYOLMS-UTJYDAPXSA-N 434.566 0.127 30 10 ICEE CCS(=O)(=O)NCCS(=O)(=O)Oc1c(Br)cc(C#N)cc1OC 765232248 BWFQSHWZSDACRN-UHFFFAOYSA-N 427.298 0.977 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)n1 790108260 WNGIIKFLOIASSK-GBESFXJTSA-N 434.562 0.975 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 816691736 YLGIEVTXIUOWCY-OAHLLOKOSA-N 433.442 0.979 30 10 ICEE C#CCC1(O)CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1248620826 XPSQITFPCDSHBN-MRXNPFEDSA-N 443.566 0.970 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 1248676323 MLCNYPQJAFBKBD-SFHVURJKSA-N 432.546 0.655 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286385995 SDQPUVHPIBNFKC-MRXNPFEDSA-N 445.611 0.700 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1286726548 FXJJRWJZQYZKOO-KBXCAEBGSA-N 425.511 0.734 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286774880 NDJBVBPQRIEOLU-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE Cn1cc(C[C@@H](CO)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299615876 HRZMLCGMCJIJJF-INIZCTEOSA-N 433.534 0.739 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300479696 RMSPPDSFVOHZMV-AWEZNQCLSA-N 430.490 0.556 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)[C@H](C)CC)CC1 1300682361 GRGFHTYIIOHHLC-GJYPPUQNSA-N 426.587 0.441 30 10 ICEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1301924681 JIAIGVMXLWMASS-UHFFFAOYSA-N 432.492 0.855 30 10 ICEE C#CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1470366105 KLMBCQBJGSZROO-INIZCTEOSA-N 426.922 0.860 30 10 ICEE COCC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504529290 ZUMXDZFTJLXZFY-ZCXUNETKSA-N 445.524 0.397 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508138138 WWLPGXGEMYEYRQ-HZPDHXFCSA-N 435.506 0.301 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1539300664 WSDMXUBUDDMHKC-QFIPXVFZSA-N 429.521 0.675 30 10 ICEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(C)=O)CCOC1 1547916698 YUWPMZSNCDEZTM-GHTZIAJQSA-N 431.541 0.633 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1587638656 GNFPLHOMWAPFPM-MSOLQXFVSA-N 438.598 0.801 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(S(C)(=O)=O)CC2)CC1 1588733014 JZMDIMXHOHTVJL-UHFFFAOYSA-N 436.582 0.529 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595844959 KTPHYZIQJUEPLL-UONOGXRCSA-N 443.599 0.364 30 10 ICEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1617168745 ZBGAMNFCGZNCSG-OAHLLOKOSA-N 448.553 0.518 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1689993701 JQQDGFIVCWZRCW-HPGBDJQBSA-N 435.575 0.659 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1690206207 JQTFKPXSGXCYST-TXPKVOOTSA-N 440.591 0.997 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1690734100 VOOISLSHFBBAME-KGLIPLIRSA-N 428.584 0.619 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCOCC1 1692779582 BRDHIBOJZZZQCS-MAUKXSAKSA-N 443.549 0.443 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC1CC1 1710734494 FADMKXAFJJFAMZ-OAHLLOKOSA-N 439.524 0.718 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1722689803 AEWJRRLYKKEJLU-KBXCAEBGSA-N 426.543 0.197 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1730956160 OYUBRZRLUIONBL-JYJNAYRXSA-N 434.497 0.013 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1731002774 IOMGUSQJCQRPQU-IAFNSTAXSA-N 434.522 0.380 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740625907 UAJBLZMTGHIPPV-IAGOWNOFSA-N 433.534 0.372 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740959415 UVYDKVRWDIRYBN-HNNXBMFYSA-N 448.553 0.145 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)CNC(=O)C2 1740992294 DHPZVCVAELFCJW-UHFFFAOYSA-N 444.561 0.971 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCN(CC)CC2)CC1 1748994418 GMXGKZZVEKEQSZ-UHFFFAOYSA-N 442.612 0.183 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749669480 IFCNFSLYHVRJAM-MSOLQXFVSA-N 445.568 0.217 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1760446981 HJRCSDATSYMUQC-CABCVRRESA-N 428.559 0.538 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1769383104 WMNLLCUYVVPZQW-LJQANCHMSA-N 440.570 0.998 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255821589 DWFSRWRZANERBO-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204890728 QRRQDOHNZAEWEP-GOEBONIOSA-N 437.371 0.850 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CCC1 430986628 DILXZJJRYVWGSF-UHFFFAOYSA-N 448.346 0.936 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 508864020 KSFLUDVLCKWQEA-LJQANCHMSA-N 426.521 0.990 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2CC)c1=O 530317783 AUDMFOJVBWRODL-UHFFFAOYSA-N 447.532 0.913 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 540038651 IZWDKRNOWKEGMN-GFCCVEGCSA-N 433.504 0.854 30 10 ICEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)ccc1C#N 580993884 FUBZFNITFUUQHF-UHFFFAOYSA-N 428.470 0.617 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)c(F)c1 727417496 MHOXHYKXEDCJMR-UHFFFAOYSA-N 443.456 0.905 30 10 ICEE C#CCN(C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 757906341 VSJOAOAVKPPBNE-CYBMUJFWSA-N 430.429 0.675 30 10 ICEE C#CCN(C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 769456169 SKZHGYUMDOQXPR-HNNXBMFYSA-N 428.457 0.894 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1150000915 RBGVOVRTSKCZBE-UHFFFAOYSA-N 426.520 0.092 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)s1 1150591427 HSRCJPKGAWRGOD-UHFFFAOYSA-N 435.593 0.637 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1198231283 VBUVUQMPECGYAG-OALUTQOASA-N 438.525 0.280 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1286460240 BTFNDYLZEPTJDC-MRXNPFEDSA-N 446.533 0.979 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1286465743 RSDHEIIRKSQNTD-KRWDZBQOSA-N 431.518 0.767 30 10 ICEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)N(C)C)CC1 1286484329 IWVYEUNRHYROAX-UHFFFAOYSA-N 446.577 0.812 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286786600 VDEUIGDFCMRJDO-OAHLLOKOSA-N 433.513 0.589 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286794159 YIGUWANZIXVJPB-DWRORGKVSA-N 435.525 0.689 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488229 PQHJAHXCGVLKNI-XAUMDUMWSA-N 431.518 0.507 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300666422 YRXTYRDYRSWALP-DLBZAZTESA-N 425.555 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301500909 QVVMOMYOCPVSQP-IRXDYDNUSA-N 432.525 0.650 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1314870952 AFGBTCSGVHLALH-UHFFFAOYSA-N 441.464 0.183 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315816917 HEMBHJPSHZVNQK-JKSUJKDBSA-N 444.533 0.726 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358957709 YTNQAFUCLMLEOO-OXJNMPFZSA-N 440.566 0.718 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1359031306 XERCZIYGXIOXCI-GOSISDBHSA-N 444.458 0.364 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1464848142 NNVIPYRORGCLDL-QGZVFWFLSA-N 441.919 0.848 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507627662 FKGNNTOTIKRPOU-SJORKVTESA-N 446.529 0.996 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C)CC1 1507902579 KSAMYWWPZBBCNV-NVXWUHKLSA-N 426.587 0.964 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508137798 RGTXXAXRKQOGQH-AWEZNQCLSA-N 442.567 0.392 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)NC 1513016081 FGEAEEQDCLSFDQ-OAHLLOKOSA-N 432.554 0.934 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539626527 FAOQYRNXVPKMFX-LPHOPBHVSA-N 429.525 0.955 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1540897642 OIWUXZYOHDBHDD-KBPBESRZSA-N 435.572 0.104 30 10 ICEE C#C[C@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1584771160 QAPCZMODIFIFAY-AWEZNQCLSA-N 431.470 0.436 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1587707061 VYSOJXITRXSBKY-INIZCTEOSA-N 432.554 0.808 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1587808313 PUUXOQMLQQAEKM-BEFAXECRSA-N 435.554 0.787 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595530225 XHKNLNXWQTWHAE-UHFFFAOYSA-N 430.476 0.631 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3ncc(Br)n3C2)c1 1641920285 CVQJVCXNVDHBFQ-LBPRGKRZSA-N 438.307 0.927 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CC1 1681926496 SLRXAXOFPRVRGF-KRWDZBQOSA-N 434.497 0.443 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC[C@](F)(C#N)C3)CC2)cc1 1683846832 LDOODQNWBNKMGL-IBGZPJMESA-N 439.513 0.794 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690042940 JEARGYBCMKMLSI-UHFFFAOYSA-N 442.483 0.461 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1 1690675149 QDOSIXXCERHKKX-UHFFFAOYSA-N 434.566 0.805 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1690676681 AOMOGXJGUAHKAT-UTKZUKDTSA-N 434.541 0.537 30 10 ICEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705535930 CXGDDEFMSPANRJ-UHFFFAOYSA-N 449.519 0.144 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CC2)N(C)C)CC1 1705647323 FBRJDWJJGUPJGM-ZWKOTPCHSA-N 427.553 0.535 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705932799 KNZGGBMUTLTPIX-CQSZACIVSA-N 434.497 0.899 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706625660 QIBVXMUMDZAKDW-BMRADRMJSA-N 431.497 0.558 30 10 ICEE C#CCCCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1722322651 MCNNGBSKNUSSEE-UHFFFAOYSA-N 428.541 0.846 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1722473689 HJAMCQUQNRGEBJ-DNVCBOLYSA-N 434.522 0.882 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1722732243 WTAZKOWQMQAPNU-CRAIPNDOSA-N 425.511 0.260 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1729680464 FEYHACRFTHESRS-FNXXIHLHSA-N 426.477 0.308 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNS(C)(=O)=O 1748889217 FLTXUDPBMVQJKP-UHFFFAOYSA-N 431.518 0.974 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)CC1 1748995104 XUVYNPBVUAKMBM-UHFFFAOYSA-N 429.569 0.268 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749039433 UFSMFSVBHQQFKA-GJZGRUSLSA-N 446.620 0.560 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1749066481 KGFHUNGIXUKNRS-YLJYHZDGSA-N 447.565 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749721630 PRMLFYBUTJQIMT-AWEZNQCLSA-N 440.570 0.464 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1760336877 KRFNSZUXTVCGME-HNNXBMFYSA-N 428.559 0.492 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760518484 VXSUARMEYKMWRR-CQSZACIVSA-N 428.493 0.931 30 10 ICEE COc1ccc(CC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1C 1856860807 HACFNINMPYCCSS-QGZVFWFLSA-N 434.518 0.145 30 10 ICEE COCCN(CC(=O)N1C[C@H](CN2CCC(CC#N)CC2)CCC1=O)S(C)(=O)=O 1856939874 ZOUIIMLHVYCOPV-KRWDZBQOSA-N 428.555 0.285 30 10 ICEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562136 OWAOITPSGLIXSV-CALCHBBNSA-N 428.537 0.981 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 492321656 SMTKOJPLOYGZCM-ZHRRBRCNSA-N 433.553 0.570 30 10 ICEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 560426220 ILKBARQNKITJCK-UHFFFAOYSA-N 428.514 0.777 30 10 ICEE C#CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCS(=O)(=O)C1 729332267 XFEMRIYZYQLROH-INIZCTEOSA-N 449.554 0.496 30 10 ICEE C=CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)CC1 748271423 HWPROJAGHOKWLR-UHFFFAOYSA-N 427.483 0.201 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1CCN1CCOCC1 755627886 FEQOROOBRXTFRG-INIZCTEOSA-N 443.554 0.577 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(Cc3ccccc3)c2=O)cn1 772274833 GZQSBXCFLVPJNA-INIZCTEOSA-N 449.536 0.909 30 10 ICEE C#C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Br)cc1 1129730546 JKGTXYCBUGQBEA-CYBMUJFWSA-N 430.262 0.687 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H]1c1ccnn1C 1265116194 VFUDUKOVVRSBCP-QIJUGHKUSA-N 436.516 0.945 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1286396554 WCBBNNYIZZYJPJ-SJORKVTESA-N 426.539 0.545 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)CC1 1286486487 MVZUFTYGRLDOKT-GDBMZVCRSA-N 438.554 0.033 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300479760 RUFNEZAAXHPGNJ-LSDHHAIUSA-N 427.502 0.125 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300494951 AEWIIJRCTPNSPO-CVEARBPZSA-N 447.565 0.804 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1300497365 YLQDOAVFFPUMLV-GOSISDBHSA-N 447.565 0.737 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1300874768 NWAFGPSFWHLCDS-NCOADZHNSA-N 443.570 0.721 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1303805285 DCGKOFIFNFDZAE-QWHCGFSZSA-N 432.572 0.451 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1358956038 YVWJZTCUBLMMHE-OAHLLOKOSA-N 448.553 0.000 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1358994535 PKCULOJYLNUSME-SFHVURJKSA-N 431.562 0.950 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCCC)CC1 1359038108 KQSSJEMXAOYWFA-UHFFFAOYSA-N 429.550 0.551 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1359286614 FXJGOPIPROMWNH-INIZCTEOSA-N 439.586 0.904 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)C1 1471336104 JMRSGJHOLBNRRI-VQTJNVASSA-N 441.580 0.649 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1507608842 SVLLYLSBCOKHSS-UHFFFAOYSA-N 443.455 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507739219 OBFZVBTXGNNONM-WMZOPIPTSA-N 449.577 0.573 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507830003 RQMUCFASDJEBRK-OAHLLOKOSA-N 448.553 0.358 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1507968755 ZGFDWLWRAJFDSK-CQSZACIVSA-N 427.552 0.984 30 10 ICEE C[C@H]1CSCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1512571168 RHAPMDKOVONUNP-JGWKNBOWSA-N 445.549 0.869 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1539180081 WJKYPCAPHPDQBJ-BEFAXECRSA-N 425.555 0.622 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539775678 OCAZJISQPXROND-WFASDCNBSA-N 437.975 0.656 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540905678 YPOSYCOINMONSJ-INIZCTEOSA-N 432.550 0.922 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 1565590315 WRMHVTFIOKJKLB-HNNXBMFYSA-N 437.591 0.325 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)CC1 1588924243 YAETYGZABIBCHE-MRXNPFEDSA-N 443.552 0.357 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1589068966 GKANDWQHOMBCSK-OWCLPIDISA-N 437.591 0.794 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595561766 BEQBORZQLQHQNC-UHFFFAOYSA-N 443.533 0.753 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1595824171 XVNBFIVDHNDKRA-IAGOWNOFSA-N 438.598 0.920 30 10 ICEE COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 1632528008 HZKZLCPTAVDONQ-BFYDXBDKSA-N 446.508 0.758 30 10 ICEE CCN1CCN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)CC1 1648503448 ILRNKIJODBFUKO-LAUBAEHRSA-N 431.562 0.637 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(CC)CC)CC1 1674174432 NAKRWOUETIIARD-HXUWFJFHSA-N 435.594 0.734 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)CC1 1690135545 ZADUIHUQNZXHPR-UHFFFAOYSA-N 440.552 0.781 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1690237302 XNEDEIOMICPQNW-FUHWJXTLSA-N 434.541 0.693 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C(C)=O)CC1 1690256760 VJAAMJGBDXATRY-INIZCTEOSA-N 441.602 0.455 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565125 GCBZFSPQVRBPMV-SJORKVTESA-N 436.582 0.586 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1705613282 XXOCJGLLRIOWFI-GOSISDBHSA-N 443.533 0.767 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1705716221 CUAYVDJKFNNLOD-SJORKVTESA-N 443.570 0.819 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722369078 YHBDFHANIBTTCH-OAGGEKHMSA-N 444.579 0.232 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1740622344 XPCWQKCTOQVZBA-OKZBNKHCSA-N 431.518 0.507 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCOC2)n1 1740689195 QZGVHCRNYCPAHO-UTKZUKDTSA-N 430.509 0.416 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1741983220 IEJYLOMBMDXSQQ-BLLLJJGKSA-N 448.471 0.989 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1760180880 MMUZBEQGVLZUPT-CVEARBPZSA-N 426.539 0.665 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1760185522 YRSIWLFGFMULLZ-RDJZCZTQSA-N 442.545 0.882 30 10 ICEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760236439 WFOANFARLRJOTA-UHFFFAOYSA-N 431.500 0.987 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)CC1 1760260372 ZLYWDUIINCOCJS-QGZVFWFLSA-N 431.566 0.334 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760521146 LBFLNHIXTIXJNA-KKUMJFAQSA-N 447.540 0.881 30 10 ICEE CCc1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763132678 XTEUCGJDJUQAPG-QBNCKDSPSA-N 429.525 0.668 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(=O)(=O)CC 1764919258 GKUAJWVDMAPRGT-AWEZNQCLSA-N 433.542 0.157 30 10 ICEE C[C@@H]1CN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853923520 HILAYAUJAFWZEG-VQIMIIECSA-N 432.546 0.974 30 10 ICEE C#CCOCCOCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2133332459 UPURPGNGABDMED-IBGZPJMESA-N 426.466 0.597 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)n1 2255606787 UMCHYGCSEJSLIJ-QWHCGFSZSA-N 433.318 0.948 30 10 ICEE CC1(C)OB(C2(C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)CC2)OC1(C)C 2255649952 AEZOEWUGCJPXQY-GHMZBOCLSA-N 433.236 0.994 30 10 ICEE C#CCN(CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 111047699 XNKIOBFIVWQGDO-CYBMUJFWSA-N 442.335 0.626 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 435032838 IAAUXQVYMNSGRQ-UHFFFAOYSA-N 441.513 0.996 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2C1=O 486372517 XAZBBESOOPQKCJ-UHFFFAOYSA-N 446.463 0.971 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)o4)CC3)C2=O)n(C)n1 557432381 HPLYSOBDFXVCBH-INIZCTEOSA-N 432.506 0.695 30 10 ICEE Cc1nn(CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1S(=O)(=O)N1CCOCC1 572709786 ROOBKIDPZIKULR-UHFFFAOYSA-N 439.519 0.261 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cnccc2C#N)CC1 581624836 CUBCDLJJIBMELM-FQEVSTJZSA-N 426.477 0.217 30 10 ICEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)CCN2C1=O 588620581 CLFCFMOVMMAQEG-CYBMUJFWSA-N 434.250 0.754 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCN1CCOCC1 747080188 KVBXIXIUWWMDMP-UHFFFAOYSA-N 432.452 0.870 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 769104488 CXHOLLWSDKSTQL-MYLWSRITSA-N 427.505 0.695 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771298493 WKTFORIECAVBGF-VLIAUNLRSA-N 433.486 0.111 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 813563114 GWYNBZXFXICQFH-BBRMVZONSA-N 430.534 0.692 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1286280308 WZZSKCDAECPHOX-MGPUTAFESA-N 433.534 0.805 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1286361286 NJAGOXFVOPRNLW-QGZVFWFLSA-N 446.577 0.838 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1286394211 HTIJARRJYJSPQT-MRXNPFEDSA-N 437.591 0.946 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)CC1 1286474094 ADDKQEZXEPDLNW-UHFFFAOYSA-N 444.561 0.744 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(O)CCS(=O)(=O)CC3)CC2=O)cc1Cl 1297793261 AZMZUEWXNOTSTQ-ZDUSSCGKSA-N 425.894 0.620 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300496070 NMRAEWRWWMWDHA-LSDHHAIUSA-N 449.499 0.903 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1300503912 HEYCGLAXCSATAC-OAHLLOKOSA-N 435.506 0.351 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCN(C(C)=O)CC2)CC1 1300703850 URQBOCPIQOEPGG-UHFFFAOYSA-N 441.605 0.850 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1305113989 AVOWNALZHAUZIL-MRXNPFEDSA-N 437.504 0.733 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1315744040 NFPBKMKYVRJHQL-UHFFFAOYSA-N 428.493 0.511 30 10 ICEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316044861 DAIOAHOIZYQGGI-MRXNPFEDSA-N 439.524 0.814 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCn1cc(Br)ccc1=O)c1cc[nH]n1 1450375289 MYVNRUPJOPCMDY-UHFFFAOYSA-N 440.254 0.434 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1470752743 JWKVWOBAYJQBPD-UHFFFAOYSA-N 432.546 0.592 30 10 ICEE C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1475515440 SHPCXINTGKRSCY-GOSISDBHSA-N 442.559 0.723 30 10 ICEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503199884 XEAZJECTBQJWFO-INIZCTEOSA-N 439.524 0.927 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1507634367 NALPBNJANDXYDK-QGZVFWFLSA-N 443.508 0.812 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507636074 YFZODWRJPLQREQ-GOSISDBHSA-N 442.545 0.417 30 10 ICEE CCO[C@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1516233389 ZKZMHDNBQDDKDR-OAQYLSRUSA-N 444.492 0.738 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1517624445 DPDRDOMJCHZDJK-XJKSGUPXSA-N 434.478 0.069 30 10 ICEE CNS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1517625744 FQUKKTMOWQSLRP-MRXNPFEDSA-N 434.522 0.752 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@H](C)C2)CC1 1539430075 GWAUCVQNLPUHBL-SQNIBIBYSA-N 438.598 0.849 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCNC(C)=O)c1 1587684505 XTOCVGFGGQPCEW-UHFFFAOYSA-N 439.520 0.999 30 10 ICEE N#Cc1cncc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1596856601 ZJWFVUNJBGMJBI-UHFFFAOYSA-N 441.513 0.883 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1611658260 AJMCWEWCFGSZHA-NXEZZACHSA-N 425.437 0.305 30 10 ICEE COC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1627136443 HUSFIHIFWPPKFI-KBXCAEBGSA-N 427.523 0.799 30 10 ICEE COCCCS(=O)(=O)NCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1632252786 DBHDWLLIRHKBQR-UHFFFAOYSA-N 446.533 0.553 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1643473621 REJUXIBQPACDRB-UMVBOHGHSA-N 427.548 0.976 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)CC1 1690122448 RAAHUDBQKOYWGE-QGZVFWFLSA-N 439.520 0.706 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690677435 WUMFPQVUHGEDBW-UHFFFAOYSA-N 433.557 0.251 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692534565 LRTCLCQHHUUNEO-ZFDMEJTGSA-N 431.497 0.558 30 10 ICEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705561964 WESWWYGEWYOIBI-MRXNPFEDSA-N 446.489 0.568 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1705583503 ZPVVLMBNVCBLNU-IBGZPJMESA-N 443.529 0.763 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2(O)CCOCC2)n1 1705631810 QWMLPNNHBXHEER-SFHVURJKSA-N 444.536 0.806 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705895079 SYDNVIXEZDOINO-MRXNPFEDSA-N 430.513 0.513 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1712176612 ZMFQGDQNVHVWTP-RKVPGOIHSA-N 444.533 0.726 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)F)CC1 1722441409 PWPSJEAGEHAPTQ-YOEHRIQHSA-N 426.468 0.139 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1740751480 KTNGPAVKMUYWSN-JONQDZQNSA-N 440.570 0.536 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1741983222 IEJYLOMBMDXSQQ-MLGOLLRUSA-N 448.471 0.989 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1748671191 GUCWCRFJEHLLEQ-WCQYABFASA-N 425.540 0.277 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749211505 ZHDHYFWKRSMAIP-UONOGXRCSA-N 435.572 0.104 30 10 ICEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1749591754 YAKCYCPGSBBNAS-OXJNMPFZSA-N 449.533 0.607 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(N)=O)C1 1749727450 UPXHGPHYFKWMBL-CQSZACIVSA-N 433.490 0.586 30 10 ICEE CC(C)N(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1750075301 CTNPOEOPFGEKAR-DLBZAZTESA-N 441.602 0.937 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCN(C)C1 1760200388 GFTNRGMUNDHYOQ-OAQYLSRUSA-N 441.561 0.378 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C2CC2)N(C)C)CC1 1760271451 YCRBGMLHGJORTL-LJQANCHMSA-N 441.580 0.707 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760281651 VTDRMGCLIBIQGT-ULQDDVLXSA-N 448.593 0.963 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760356055 FCIJNQKACMDZCE-MRXNPFEDSA-N 428.497 0.409 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760558344 MQBALOIPWKIMOS-BEFAXECRSA-N 441.554 0.198 30 10 ICEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1770149618 CHVKEKOEBRWLMR-RHSMWYFYSA-N 434.522 0.868 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccc3ccccc3n1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 2297638614 AAMFNUBZOVLAEY-JNNRSPCRSA-N 436.432 0.014 30 10 ICEE CC1(C)OB(c2cnc(S(=O)(=O)CCC3CCN(CCO)CC3)nc2)OC1(C)C 204882185 QMHDABWIXCOQAW-UHFFFAOYSA-N 425.360 0.644 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1C#N 489466475 QQZLJHVYWGFRSB-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 492376566 QFPFYBIDWHQIFN-LJQANCHMSA-N 427.509 0.220 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 508889943 VDJOBZDYFOKCDF-IRXDYDNUSA-N 426.587 0.965 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 516547286 QVHVCFFQYHMYLE-UHFFFAOYSA-N 432.571 0.817 30 10 ICEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 524184678 NMZLSECGQSVIKP-IBGZPJMESA-N 443.548 0.807 30 10 ICEE O=C(CNC(=O)c1ccc(Br)s1)NCCN/C(O)=C1/N=CC=CC1=O 731862301 CEBFPOGCEVGZDO-SQFISAMPSA-N 427.280 0.883 30 10 ICEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CCc1c(C)nn(CCC#N)c1C 735773844 CGDSBLMWEODDKJ-MRXNPFEDSA-N 425.511 0.735 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 775690997 TTXARWXGLHLLCP-NSHDSACASA-N 441.453 0.128 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)C1 807109560 JPLVZTZTSQTNAC-RRFJBIMHSA-N 429.543 0.859 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OC)(OC)[C@H](O)C1 1162895675 RFXMUOFRMCBWSO-DOTOQJQBSA-N 439.534 0.866 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1286788486 XKJCQQDXODOYQT-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300501746 NIFIQKZLWANHCD-DLBZAZTESA-N 449.577 0.842 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300768899 ZBZIOUYSPVYZRB-IBGZPJMESA-N 437.591 0.782 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1300972698 PBPDZDDFSATOEC-CABCVRRESA-N 438.558 0.951 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301222742 FAJSIDBCOXGEHK-GJZGRUSLSA-N 431.584 0.664 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358959682 NRQYTQRZLSQKHX-RBUKOAKNSA-N 441.513 0.859 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1358969853 YJKDNVDZPIFFHV-OAHLLOKOSA-N 425.580 0.873 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1359028160 IZVZCRFOCCNHLA-GOSISDBHSA-N 440.552 0.572 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1359084222 AUZUGDJJLLNNOE-CHWSQXEVSA-N 435.344 0.940 30 10 ICEE C#C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1437871069 FZOIBKAHEGHSDH-GOSISDBHSA-N 436.530 0.803 30 10 ICEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)OC 1504579301 IBFYIMSHHRMGOO-SFHVURJKSA-N 448.549 0.996 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507564530 RPRLZVCXSBJSJG-APWZRJJASA-N 440.591 0.999 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)ccc1F 1529089706 FWECMMJGQYXYRJ-HIFRSBDPSA-N 442.465 0.857 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539132003 BCPWUVUGXZWAGX-HNNXBMFYSA-N 425.497 0.346 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1540903750 HLRBOYBESRIYCS-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE N#C[C@]12CN(CC(=O)Nc3ccccc3S(=O)(=O)C(F)F)C[C@H]1CS(=O)(=O)C2 1560193493 BXPBALDPRGUGID-MEDUHNTESA-N 433.458 0.492 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1588124834 SVBWFRVDKHPCCB-UHFFFAOYSA-N 439.501 0.829 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1588139757 QYGOJKLPHRWBAW-MRXNPFEDSA-N 443.504 0.822 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1593636465 MFKONCIUUWZEFP-LSDHHAIUSA-N 436.542 0.657 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1594961272 ABQZHVZKPXMXDC-AWEZNQCLSA-N 428.559 0.396 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)c1 1624911942 BPKXFUCLQKOHAB-UYAOXDASSA-N 437.475 0.945 30 10 ICEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648156161 XPVKYRKWNNGAPC-MGPUTAFESA-N 434.518 0.000 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCOC[C@@H]1CC(N)=O)CCCC2 1654760752 GKITZGZIERMQGA-HOTGVXAUSA-N 429.521 0.932 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689988579 RXLLGJVYVLPKGH-APWZRJJASA-N 434.522 0.111 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CC2)CC1 1690142842 VDPKDXPZZMWTSU-UHFFFAOYSA-N 443.533 0.278 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1690714554 OSZONPDWCGIZBT-CQSZACIVSA-N 448.505 0.526 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705540235 QXYOMYHYCWLYHY-ULQDDVLXSA-N 425.555 0.934 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705757905 BQLSDYAJIMUWJX-CQSZACIVSA-N 430.962 0.919 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705936767 YATWFYCSGAUHHX-CABCVRRESA-N 432.568 0.396 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1712711588 QZGTWSMIEYYJKM-IBGZPJMESA-N 432.506 0.362 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722358030 CNKZINWRFPIWSY-YWZLYKJASA-N 449.533 0.544 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722700839 WWZKJVUKALOLEH-HXUWFJFHSA-N 430.534 0.581 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1740640794 WNYVCAYPAJEZKH-GOSISDBHSA-N 428.518 0.322 30 10 ICEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741122549 LITAKLTVACICRX-UHFFFAOYSA-N 432.492 0.855 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)F)CC1 1749730567 ITFIKYABSXBDRY-UHFFFAOYSA-N 427.481 0.723 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1760223975 SKIXVAQRFNOAJX-UHFFFAOYSA-N 429.550 0.638 30 10 ICEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766864532 MADISKFBLCNJMD-UHFFFAOYSA-N 432.492 0.807 30 10 ICEE O=C([C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCN(CCO)CC1 1869930080 SQDIMXXXFSPTJT-IBGZPJMESA-N 428.514 0.603 30 10 ICEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243715916 GHOGPZWUOTYSKB-JTQLQIEISA-N 428.320 0.473 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628802 NEIIEIDYWHLEBK-OLZOCXBDSA-N 436.318 0.809 30 10 ICEE C=CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3)NC(=O)N2)CC1 22813029 SYFTWKMLSDHMRJ-NRFANRHFSA-N 441.532 0.778 30 10 ICEE COCCN(C)S(=O)(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 488019092 WIIMWYFMFSUVOU-SFHVURJKSA-N 429.564 0.704 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 508694932 DQTFKDXSSABDQU-OAHLLOKOSA-N 431.518 0.585 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 508824613 IALRJOBRDPBKMM-CQSZACIVSA-N 440.551 0.828 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 549276023 NKEMPVZSMYNWFE-HUUCEWRRSA-N 426.543 0.150 30 10 ICEE COCCOc1ccc(C#N)cc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 589335527 IIBDAYSFFZNSRB-UHFFFAOYSA-N 425.511 0.929 30 10 ICEE CN1CCCC[C@H]1CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730559578 HKPKELQCBXATOK-KRWDZBQOSA-N 433.578 0.744 30 10 ICEE C#CCN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 731213777 RTBDAJZNNPHKKK-JKSUJKDBSA-N 444.600 0.386 30 10 ICEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(C)nn(-c2ccccc2)c1C 771897858 SXJOYKSKDXEYOS-UHFFFAOYSA-N 430.490 0.589 30 10 ICEE C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1=O 799176520 WVUJQZUWOGJACJ-PSXSOWLISA-N 446.573 0.850 30 10 ICEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1180421105 WBUHVRZGBPMHSY-MUUNZHRXSA-N 441.579 0.650 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286386204 WJVROEJLFPPKHC-QPSCCSFWSA-N 429.568 0.171 30 10 ICEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1289031014 HMADXNHPSJDYSU-HXUWFJFHSA-N 431.518 0.982 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1300686281 ZKKFSARVZDNJQI-KNQAVFIVSA-N 432.569 0.406 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359390188 ANVBPMIZJULLTD-RJCBAWPRSA-N 443.508 0.367 30 10 ICEE C#CC[C@H](CCOC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1438148719 RERJIYDIKQMKEB-QGZVFWFLSA-N 439.509 0.837 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1494235832 KKQBKOXNTJZPJH-SXGZJXTBSA-N 431.518 0.980 30 10 ICEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1=O 1503680506 ADJSCHCBUYSPSH-UHFFFAOYSA-N 428.518 0.920 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1507631851 GRUCLFXHRCELRM-RDJZCZTQSA-N 429.502 0.610 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1507748089 ZSZMVUILQBNNID-CYBMUJFWSA-N 426.568 0.066 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1509948602 AZYOYVLUFVHEIC-GJZGRUSLSA-N 426.543 0.654 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1541803856 NIKDFRFWSRIAOJ-OAGGEKHMSA-N 426.543 0.776 30 10 ICEE COCCN1C[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1555572500 ADJDMTSDDDTWHF-DLBZAZTESA-N 425.493 0.872 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1588055447 VXDYNRGVMMGGDW-SJORKVTESA-N 430.534 0.750 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1588228098 AQVVYIUQDOLOAY-KRWDZBQOSA-N 431.562 0.950 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1620026275 WZJNCGFJXTZIRG-LSDHHAIUSA-N 427.527 0.698 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1621673574 UFZWCNLRADVKPP-NSHDSACASA-N 425.937 0.555 30 10 ICEE C=CCOC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1626205082 VWEIDBPHLFYLSH-OAHLLOKOSA-N 427.475 0.872 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCC#C[C@@H]2CCCCO2)cc1C 1637185505 FEXHWQUXFOPRFM-HKUYNNGSSA-N 435.546 0.905 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC#C[C@H]3CCCCO3)cc2)CC1 1640374178 FTDGJGOQRHNKPB-LJQANCHMSA-N 433.530 0.842 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)CC1 1644285689 XABYOBSYTZUXTI-IXDOHACOSA-N 438.347 0.947 30 10 ICEE N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1659317950 GOZSFKXNRGZYGK-UHFFFAOYSA-N 448.570 0.984 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c1 1667348908 DLUFHMCZSVDAKU-UHFFFAOYSA-N 425.532 0.872 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(OC)CCOC2)CC1 1690132140 IUXDXKYNEJKOFB-NRFANRHFSA-N 444.561 0.830 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)n1 1693419612 CDHALLMYVMHRNU-UHFFFAOYSA-N 432.554 0.915 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1698310864 CSAYIISJFPQMGU-KXBFYZLASA-N 433.513 0.987 30 10 ICEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710892340 WYABANKOPXNBIV-AWEZNQCLSA-N 433.542 0.293 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cn(C3COC3)nn2)CC1 1722446766 AYCNFQFUONKMGS-UHFFFAOYSA-N 426.525 0.654 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1740692473 LCGYHORQMBDMEO-QHCPKHFHSA-N 440.548 0.741 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740729806 MLBXMQVISFYLQK-UZUQRXQVSA-N 449.515 0.485 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740787114 AQUFGJZWPBIWEF-DOTOQJQBSA-N 437.570 0.658 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1749744216 HACKNHOQTRQJHZ-CHWSQXEVSA-N 430.556 0.448 30 10 ICEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1760479265 JTMCSMJZFYBODO-KRWDZBQOSA-N 443.533 0.843 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N(CCC#N)CC2CC2)CC1 1760619845 AYPYZMQRAWRSNX-UHFFFAOYSA-N 430.557 0.710 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CC=CCC1 1761498495 GIVZCERUQTVUTE-AEFFLSMTSA-N 448.597 0.327 30 10 ICEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CNC(=O)c3ccccc3)cc2C1=O 1870152357 NVQUDAWPEOECFZ-UHFFFAOYSA-N 429.396 0.733 30 10 ICEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN(CCO)CCO)cc1=O 1870561216 DJVCWWYOMXFRBX-NRFANRHFSA-N 429.517 0.655 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2247136609 RRWYBUCJWFNTCH-AWEZNQCLSA-N 444.529 0.938 30 10 ICEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256056898 FTEJRTSLKJRUAB-UHFFFAOYSA-N 436.318 0.735 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)n1 2282507822 MOURKLXSUVDZQK-ZDUSSCGKSA-N 427.332 0.493 30 10 ICEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2326733874 ANWZSYRUFCSAIK-INIZCTEOSA-N 433.314 0.815 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@H]3CCCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204888975 CFNITPVYFRYGIR-WBVHZDCISA-N 435.330 0.527 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514646303 VDGWGEOSXAETKG-MRXNPFEDSA-N 443.500 0.590 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 523864881 HGXQJOPASYWPEU-UHFFFAOYSA-N 429.546 0.094 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 549670147 WBSBZFUTXQFAFO-OAHLLOKOSA-N 427.527 0.577 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)c1 745407134 LVFLFOPQIXJMQY-UHFFFAOYSA-N 433.511 0.709 30 10 ICEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782933995 OUQDVAJAWOXAFY-INIZCTEOSA-N 444.565 0.972 30 10 ICEE N#C[C@@]12CN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1176423186 UAFLGXJHKPEWJK-UGSOOPFHSA-N 435.506 0.977 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC2)c1 1286309994 VRYXPKYWPVNTHL-CQSZACIVSA-N 446.533 0.469 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1286376688 NGXDRNKBOOEQDH-QGZVFWFLSA-N 433.538 0.190 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286389666 OGRSXLRGNGPGDB-NARAOEGZSA-N 435.550 0.407 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1286408302 BRNIJSLBBVNECF-LJQANCHMSA-N 449.577 0.891 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1298968938 GMZSLHLGFKLAII-HNNXBMFYSA-N 437.508 0.809 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1299300005 AFKDOWSRSYKOAP-YOEHRIQHSA-N 434.522 0.606 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300491736 IKQGBXWXUTZYDI-DOTOQJQBSA-N 429.550 0.845 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1300505821 JMGXIPDHECCIIF-HNNXBMFYSA-N 426.443 0.752 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1300579481 VXWGKIWTSNIHHY-IRXDYDNUSA-N 438.575 0.468 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCOC2)CC1 1300684831 ASNXHVZOTBADOX-GOSISDBHSA-N 435.326 0.942 30 10 ICEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300766846 LYDPQFPFIFPTOB-OAHLLOKOSA-N 430.559 0.444 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1301223633 ZWEARCXQVHXSAZ-DLBZAZTESA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1301483686 UIDZDQFEQXUAGU-UHFFFAOYSA-N 445.343 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)=O)CC1 1301568326 RGHIOTUCYPBBEX-UHFFFAOYSA-N 426.543 0.122 30 10 ICEE N#Cc1ccc(C2(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCOCC2)cc1 1302374554 OTWDJVTYNMFZFV-SJLPKXTDSA-N 431.514 0.716 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C[C@H]1O 1315110645 WTKWIWKBFPHQTO-CBGDNZLLSA-N 427.461 0.328 30 10 ICEE CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315708447 CJRHIQIAKKSQJU-FWWJWKNHSA-N 445.524 0.804 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358962041 JDARJBMZAPRYFR-QZTJIDSGSA-N 448.593 0.732 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359359735 ZKGWDCJPOQQVDB-LZICOFPGSA-N 427.509 0.987 30 10 ICEE C#CCN(C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1464383224 OFKKQMODPODEBG-AUUYWEPGSA-N 425.507 0.791 30 10 ICEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504819034 DPCQEWJYQQSLGL-HNNXBMFYSA-N 448.553 0.518 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507558048 VIFFUFOEEMZVSB-HIFRSBDPSA-N 437.526 0.961 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncn(C)n2)CC1 1507739551 IVRCIKTURJEZMH-UHFFFAOYSA-N 439.549 0.776 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508140774 QQGLAJZJAFKKFW-DLBZAZTESA-N 436.538 0.664 30 10 ICEE COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1519189698 AFJDLJNSHRRSCB-XHSDSOJGSA-N 438.554 0.271 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(OC)CCOC2)CC1 1588924080 VBSLHOZFMKLYFU-HRAATJIYSA-N 430.509 0.001 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CCO1 1620355155 HBDOIOOUHVNRHD-IAGOWNOFSA-N 438.554 0.021 30 10 ICEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1620532274 GMXRNCGAUNMDGD-NYHFZMIOSA-N 430.505 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)CC1 1671159362 SHWRQNBHZUSRCL-UHFFFAOYSA-N 436.899 0.331 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC(=O)N2)n1 1690109214 KPJSOXILMPNVKT-QGZVFWFLSA-N 437.508 0.440 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1690515950 XWDSEGSDKMRDKY-HNNXBMFYSA-N 435.554 0.790 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1690660659 MCAMATPBOCNLKJ-INIZCTEOSA-N 434.541 0.753 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCSC1 1692780913 DXORXRQYHZGJBO-JQFCIGGWSA-N 428.584 0.886 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1705477119 JLKPNVIYKKMLEX-IRXDYDNUSA-N 439.630 0.620 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1705574290 ZVHLMEISRCLOQF-OAHLLOKOSA-N 438.517 0.795 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1705909436 XKYBXTWEUXCEMS-HTAPYJJXSA-N 448.568 0.973 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1722293097 BMWHFJJKOHCTTQ-FHWLQOOXSA-N 436.626 0.912 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722366466 QFCYHHZKWKRSHT-GOSISDBHSA-N 442.545 0.417 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1722384232 PFIXPXVHHWBDEK-CQSZACIVSA-N 449.455 0.610 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1722461059 LNOPTBCTLFPWKQ-MRXNPFEDSA-N 443.595 0.186 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740622327 XFMZKCXJVJMGKM-MSOLQXFVSA-N 431.518 0.772 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC=C 1740665430 BOYYMPWCOLCHJR-UHFFFAOYSA-N 426.506 0.981 30 10 ICEE CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1748390696 ZLSKQUIVGAFLGR-WBVHZDCISA-N 445.549 0.808 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)CC1 1748978655 QPLCIWLKCAZDJH-INIZCTEOSA-N 432.550 0.592 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749713867 ZUQYBQHMXMCHLT-HOTGVXAUSA-N 426.539 0.503 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1749741219 UDSOKAPSKVRORY-UHFFFAOYSA-N 430.600 0.807 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760185562 ZIZGQJJNDYIMRI-JXFKEZNVSA-N 433.534 0.716 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1)C1CC1 1760476780 GNABRSAVMGGGEN-JMGYQRAPSA-N 443.595 0.677 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1)C1CC1 1760476782 GNABRSAVMGGGEN-WQIZZMQYSA-N 443.595 0.677 30 10 ICEE CS(=O)(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1770357279 BCEJSXKAZDUVJS-QGZVFWFLSA-N 443.533 0.949 30 10 ICEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631589 CHPGREGIZIDNGO-UHFFFAOYSA-N 441.492 0.382 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cs1 1889555375 XUHQCLFHZSRYGN-UHFFFAOYSA-N 443.533 0.648 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](S(C)(=O)=O)C1 2192655159 DWBCOOFCQGDPAH-VXGBXAGGSA-N 435.549 0.931 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@H](O)C(=O)O)cc2Cl)OC1(C)C 2284412946 YWVYAVYNUZIIJA-VIFPVBQESA-N 425.721 0.815 30 10 ICEE CC#CCN(CC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2300544140 KXHKOIBFMBPAIQ-HLLBOEOZSA-N 441.525 0.704 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)n1 544864817 JXUACUCLBRMQBG-UHFFFAOYSA-N 446.558 0.981 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C(N)=O)cc2)c1=O 565553477 YAVOYHLBMCFIOW-UHFFFAOYSA-N 447.520 0.912 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C[C@H]1CCCO1 609333521 FOGHBESSEHAGKA-QGZVFWFLSA-N 443.525 0.363 30 10 ICEE CCOC(=O)c1c(NC(=O)N(C)CCN2CCCS2(=O)=O)c(C#N)cn1CCOC 614217140 LVPAXSKDBSCEMN-UHFFFAOYSA-N 441.510 0.682 30 10 ICEE Cc1sc2ncn(CCC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(=O)c2c1C 732908406 KGHGWWDGIQUKJH-CYBMUJFWSA-N 436.515 0.431 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758075841 AAUYUQFZDIYHTL-UHFFFAOYSA-N 426.454 0.489 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@@H]3CCCO3)c2=O)cn1 837846750 IXZUEKLHUZANDP-HNNXBMFYSA-N 436.497 0.359 30 10 ICEE C=C(C)C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1132422571 UYQRHAFSJOMBKN-MRXNPFEDSA-N 440.518 0.883 30 10 ICEE COCCOCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1144291863 SVOWDQLNAIAWFB-IBGZPJMESA-N 443.504 0.570 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@]4(C(=O)OC)CCOC4)CC3)cc2C1=O 1167318307 TXHDVRJBOXZAHV-JOCHJYFZSA-N 427.457 0.559 30 10 ICEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1194496893 AIYZFFCIDMQEMF-MSOLQXFVSA-N 438.506 0.751 30 10 ICEE C#CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286359411 DFEZQDSMZSBLJV-JOCHJYFZSA-N 446.552 0.517 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1286396552 WCBBNNYIZZYJPJ-IRXDYDNUSA-N 426.539 0.545 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)n2)CC1 1286494944 WFEQNYBPOYHWOT-GOSISDBHSA-N 440.552 0.899 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1286496050 LXPPUVMLLLSAQX-UHFFFAOYSA-N 428.522 0.753 30 10 ICEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286507245 FPDWXRBZWJSICT-HNNXBMFYSA-N 445.574 0.147 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286787485 GQTLBXSKKIJRKR-IIBYNOLFSA-N 429.525 0.960 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1286815979 DDHANGHEDQEGBA-UHFFFAOYSA-N 434.522 0.412 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1288524482 CZRXUAJOUFZWKN-WBVHZDCISA-N 433.538 0.987 30 10 ICEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N1CCOCC1 1300618497 GWBWHBNXGFWLMY-UHFFFAOYSA-N 445.549 0.557 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301566684 AQKVYIVBHBANKY-QGZVFWFLSA-N 447.565 0.291 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1301587642 WJMJYYKJEHUKLF-UHFFFAOYSA-N 448.549 0.160 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1301589811 XRBZGSCKZTWUIE-KKUMJFAQSA-N 430.552 0.149 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 1303049881 KIZITWQTOKCIRV-LJQANCHMSA-N 434.562 0.125 30 10 ICEE C#CCN(c1nnc(C)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358956202 BVYGWCVVZXTUMR-KRWDZBQOSA-N 431.518 0.652 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1359049852 XDJGNRIEBJZWQI-RHSMWYFYSA-N 429.568 0.250 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1443254810 KVJJNBYUJRCDKH-OLZOCXBDSA-N 437.946 0.784 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507532331 GVKBRTOBADMRCC-KBPBESRZSA-N 434.522 0.745 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)N2CCOCC2)CC1 1507734463 NKQLLBOFEBRQPO-UHFFFAOYSA-N 440.504 0.671 30 10 ICEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1508697511 CMRKZPVHSHXKQD-JDBVMXIESA-N 429.568 0.456 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1537005342 CYJZSFQIPIQXEW-MEDUHNTESA-N 431.923 0.601 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1557439752 NBMULZGHZRAQSY-AWEZNQCLSA-N 434.880 0.854 30 10 ICEE CCOC(=O)[C@]1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1558007268 MBNSXBZQNDRUFE-IERDGZPVSA-N 428.445 0.944 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588045626 NNPRTQJSOYBATO-JXFKEZNVSA-N 431.518 0.772 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589569729 QQCXYJDEAKDABA-WCLQXYBISA-N 447.536 0.742 30 10 ICEE N#Cc1cn(CC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c(=O)nc1O 1624868098 GARJPBNEMQVLNL-INIZCTEOSA-N 443.485 0.204 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 1632960911 QSVCOPGOGMUCQW-UHFFFAOYSA-N 426.495 0.530 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccncc2)cc1 1634771986 VMVSWIJYTQSEGW-ROUUACIJSA-N 431.470 0.388 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CC)CNS(C)(=O)=O 1636940586 GBYUBMIEGGFOKR-HIFRSBDPSA-N 444.579 0.728 30 10 ICEE C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OC 1639558523 JZPAMHAKQHSUKK-KRWDZBQOSA-N 426.491 0.306 30 10 ICEE N#C[C@]12CN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C[C@H]1CS(=O)(=O)C2 1639816899 NJMDXMPIRLFGDL-QFBILLFUSA-N 433.511 0.515 30 10 ICEE Cn1c(N2CCn3c(C(F)(F)F)nc(Br)c3C2)c(C#N)c(=O)n(C)c1=O 1652315766 RNNNONFFBRQJHZ-UHFFFAOYSA-N 433.188 0.954 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689996618 KRPJGEBGPIAXGP-SJORKVTESA-N 435.550 0.454 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCC(F)F)CC1 1690110532 PSNOAIKYRLAXQH-UHFFFAOYSA-N 425.484 0.333 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690722292 DFTGKBNSPVJDGR-GOEBONIOSA-N 433.538 0.336 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1705549970 OVTPJIAHWLAFCY-UHFFFAOYSA-N 433.394 0.940 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705571607 CRBUNNQCOBWARO-MRXNPFEDSA-N 444.579 0.266 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705909062 LPAQSCYZMLBQMR-DLBZAZTESA-N 433.557 0.469 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1722412827 FNBKPPYLRAAGQH-ZDUSSCGKSA-N 425.540 0.279 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1729342838 JNQKCYYEPDUWNS-SJORKVTESA-N 443.533 0.423 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1740548909 CDEOVTUNWRVNCL-YESZJQIVSA-N 437.566 0.886 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1740616396 AIVCPLDHFAYJQG-RTWAWAEBSA-N 443.573 0.828 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1749669888 LUAJVFSBYSIMBR-KRWDZBQOSA-N 431.541 0.080 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749754487 NXOHPCOWXMYOQQ-WBVHZDCISA-N 447.609 0.938 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1760175874 UELMJWZAAJMJGS-INIZCTEOSA-N 431.518 0.775 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1764992088 BQOKWVZBXADAAC-MRXNPFEDSA-N 431.522 0.471 30 10 ICEE Cc1nc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1853343277 HHZSMJKBFIRVJU-UHFFFAOYSA-N 444.355 0.640 30 10 ICEE Cn1c(=O)cc(N[C@@H]2CCCNC2)n(Cc2cc(N[C@H]3CCCNC3)ccc2C#N)c1=O 1857522824 ZUTIWKFKZGQBIG-VQTJNVASSA-N 437.548 0.795 30 10 ICEE O=C(N[C@@H](CS(=O)(=O)N1CC[C@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270537166 ZSKNXKZPUSWYMG-LSDHHAIUSA-N 440.499 0.970 30 10 ICEE C[C@H](C(=O)NC[C@@H](O)COc1ccc(I)cc1)n1cnc(C#N)n1 409635109 IYQZQCLGIGZINJ-ZYHUDNBSSA-N 441.229 0.871 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 513516079 YYHOZLWNBMNSJL-UHFFFAOYSA-N 425.532 0.546 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 522872474 ZOZLEMZSQXQVOD-UHFFFAOYSA-N 449.515 0.996 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(CC(F)(F)F)C2=O)CC1 575746520 BFDQVZGPDHCCDD-ZDUSSCGKSA-N 430.408 0.554 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 603826443 GOBLRSKVDWOXMD-ZDUSSCGKSA-N 435.452 0.939 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C#N 604001399 OBOLXKPCNCAABZ-UHFFFAOYSA-N 434.477 0.938 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)CC1 728531448 JLYULCBRFCFOKM-CVEARBPZSA-N 442.516 0.806 30 10 ICEE C#CCN(CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 731213879 YFXVTNMIVLCAAH-FQEVSTJZSA-N 433.574 0.852 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1 749099782 AZWLAKBMGQONAL-LUKYLMHMSA-N 434.470 0.163 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1141378153 MKGXMVLUVYDVNU-GFCCVEGCSA-N 448.295 0.190 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@@H](CC(N)=O)C1)CCCC2 1196640157 UESVXCRQTNXMPI-HOTGVXAUSA-N 429.521 0.932 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286349434 JDFRBGRZNRSDMA-DLBZAZTESA-N 435.550 0.421 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1286360681 IMQRSMZKTQQXFW-CYBMUJFWSA-N 442.542 0.251 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1286395829 AJCGKMYWSDPZKR-OAHLLOKOSA-N 431.566 0.868 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N(C)C)CC1 1286473496 NIMWKDXKKQNKDO-UHFFFAOYSA-N 442.520 0.814 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 1286758638 SSQXISFYTYXLOD-GVDBMIGSSA-N 441.554 0.329 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1297779047 VDZWZRAHQRUNFN-FQEVSTJZSA-N 443.533 0.615 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1301503202 VSBFGQNFAURWHM-IRXDYDNUSA-N 442.476 0.044 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301510552 YRUOMZDEYLXMSU-ROUUACIJSA-N 429.525 0.826 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CCO1 1315014133 BBEGVRSRMRLJEI-NVXWUHKLSA-N 432.456 0.664 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1359327344 YWDMJMHNFVPRLR-UHFFFAOYSA-N 435.554 0.968 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1359333203 QRIQGNPIXUFGST-CYBMUJFWSA-N 429.524 0.405 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)s1 1467656535 MKTXZDQDDNADJS-CQSZACIVSA-N 447.604 0.781 30 10 ICEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1541561400 UHBVFKQYTQGMFT-CZIZESTLSA-N 427.509 0.987 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1594661391 TUVRUHRMLUFGRE-VGSWGCGISA-N 446.552 0.822 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1595466827 NHFSRTGAABEJPE-UHFFFAOYSA-N 431.541 0.701 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CCO)CCN3CCOCC3)C2)C1 1596650429 PSQABTWFLVGCCK-WUZYXKQASA-N 436.553 0.926 30 10 ICEE CC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1OCC(=O)N(C)C 1625023178 HJBVHXJKFXSMQE-INIZCTEOSA-N 427.461 0.945 30 10 ICEE CN1CCC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)(N2CCOCC2)CC1 1636148422 SWHZQBRDMVZNGR-UHFFFAOYSA-N 427.553 0.581 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCc3cncc(C#N)c3)ccc2F)CC1 1645032192 OAGLOLVTNHOWFV-UHFFFAOYSA-N 445.476 0.875 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)=NO2)C1 1648155656 LUNHGWFRGSJOGT-MJXNMMHHSA-N 438.506 0.539 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 1668324541 GUCQTZLCBPVGFW-UHFFFAOYSA-N 429.543 0.181 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@](C)(COCc2ccccc2)OC)CC1 1683919549 XXRNAFAABLRFSI-HXUWFJFHSA-N 438.550 0.403 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689980487 SPNYWUQLQQPNMM-WDEREUQCSA-N 443.473 0.077 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689994343 WNWPZMMSVDGAPZ-INIZCTEOSA-N 435.550 0.139 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1690245508 JJYYBGUCAZVZOI-DICRZQGBSA-N 437.566 0.863 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1690671503 XIGKVLFDFONHRX-OAHLLOKOSA-N 428.559 0.396 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1722396156 FVBAZHBWZHZSRW-KRWDZBQOSA-N 437.566 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(N)=O)CC1 1722728867 ZBKRFYUEGQAGDA-MRXNPFEDSA-N 425.555 0.865 30 10 ICEE C[C@@H]1CSCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726753548 YPRNBFFUFQKEJS-ZFDMEJTGSA-N 445.549 0.982 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1730417798 CGOJSXVPPWQGMQ-QFIPXVFZSA-N 439.520 0.178 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1730945794 HFYIPWFIUPDGDI-KNBMTAEXSA-N 436.488 0.693 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(=O)(=O)CC 1740603183 JEUVRHFGMLUUPW-UHFFFAOYSA-N 439.563 0.747 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(COC)n2)CC1 1740689462 XAAKYFBDYZUFQS-UHFFFAOYSA-N 429.550 0.921 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740951930 QNKKBXYUJZDRRI-LJISPDSOSA-N 426.543 0.052 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749676538 UMEPYBWUKBEEFM-HIFRSBDPSA-N 431.522 0.871 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1750381847 HOISVGWMTIDQTM-OAHLLOKOSA-N 435.531 0.486 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760140833 AQTFGEWGGWJJFY-QGZVFWFLSA-N 436.582 0.970 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C[C@@H]3C(=O)NCc3ccncc3)CC2)nc1 1851146806 SQIJTJJPXRADHI-VQTJNVASSA-N 434.500 0.966 30 10 ICEE CC1(C)OB(c2ccnc(N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)c2)OC1(C)C 2266062202 SSZZVBUTQXRKQO-YPMHNXCESA-N 442.247 0.740 30 10 ICEE C#CC[C@](C)(CO)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270496655 PVMVPXLHKCKZJG-LPHOPBHVSA-N 426.491 0.396 30 10 ICEE Cc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1S(=O)(=O)N1CCOCC1 479124442 AWGHSIZSRQJBBB-KRWDZBQOSA-N 429.520 0.319 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)cc2C1=O 500811607 RJLWVFJPGULGAU-INIZCTEOSA-N 447.513 0.735 30 10 ICEE N#Cc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C(F)(F)F)c1 579895350 QNXNBYJEBXFSQK-INIZCTEOSA-N 444.479 0.998 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](O)CC(F)(F)C2)CC1 615821955 FHRZOSKTKPDLBK-HNNXBMFYSA-N 428.461 0.093 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(F)cc3)c2=O)cn1 732561190 IOHUFMVMHIUYIX-UHFFFAOYSA-N 441.488 0.520 30 10 ICEE N#CCOc1ccc(Cl)cc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 735308951 ZOJMADAGROHEOS-INIZCTEOSA-N 447.966 0.877 30 10 ICEE N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCOCC1 767402973 YRYWFCZHHQIICO-UUASQNMZSA-N 447.513 0.995 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 780277512 IDZLSZATLAGBAH-UHFFFAOYSA-N 446.476 0.618 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1132004523 ITIDEZYGZLSXJP-CABCVRRESA-N 432.543 0.740 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1286430785 JSXDZZSNFDPLLZ-UXHICEINSA-N 447.605 1.000 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300494106 YRMCKWVIMXQXFG-SJLPKXTDSA-N 443.529 0.913 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1300696248 WFWFETBMXZQRGN-KRWDZBQOSA-N 431.566 0.320 30 10 ICEE C#CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656570 ZEDNQDRRLSNNFM-KRWDZBQOSA-N 427.567 0.967 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCOCC1 1316207314 VZTFJNNJPYCONQ-FUHWJXTLSA-N 434.541 0.720 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1358930135 PABUFSGEAXUXQY-KRWDZBQOSA-N 435.554 0.877 30 10 ICEE Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 1469386924 LENMTANMOHHPNY-KRWDZBQOSA-N 436.534 0.800 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1507517588 QNBWHSSWZWPIJL-YESZJQIVSA-N 426.587 0.703 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(C(N)=O)CCOCC2)CC1 1507736024 DJQPCHAHLYRYLI-UHFFFAOYSA-N 439.520 0.521 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507753698 QIIVLFQATUDMQX-MRXNPFEDSA-N 431.566 0.807 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1508144359 DBVSBANTNSBMCR-OAHLLOKOSA-N 427.552 0.521 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539216063 NFNQQFQZRZVGKJ-IRXDYDNUSA-N 431.518 0.691 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1539231344 REQDPKVCAAWVIY-ABSDTBQOSA-N 438.550 0.779 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1539384684 LWUFVQGTTNPWHT-AWEZNQCLSA-N 446.512 0.844 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539774961 HKABCSCGZGZVBQ-NEPJUHHUSA-N 440.979 0.159 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 1560022813 GQVADQCFAUYJRR-HXUWFJFHSA-N 430.528 0.739 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1588138730 IAWCWSIQGUWFIK-KRWDZBQOSA-N 434.566 0.168 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1589483495 OTZHSCGADOOLRW-SJORKVTESA-N 431.541 0.957 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595798484 PSALEIDOQXVHHZ-CABCVRRESA-N 425.511 0.761 30 10 ICEE Cc1c(Br)c(C)n(NC(=O)CCN2C(=O)CCNC2=S)c(=O)c1C#N 1654530757 ITHKJGXGIBRCCQ-UHFFFAOYSA-N 426.296 0.666 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 1684419560 ONUQWDAIMXVUPP-HNNXBMFYSA-N 443.932 0.853 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690828401 HVZDNXFEKSCRGH-QTIQAUKSSA-N 443.508 0.715 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705569403 GYNIRFIDPPMHTL-GOSISDBHSA-N 439.545 0.981 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705638043 WCIVOSCJBTWGAT-HXUWFJFHSA-N 426.569 0.791 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705689247 ZZCYFNJSGVJQHQ-JHJVBQTASA-N 444.355 0.804 30 10 ICEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712164643 NBFWHAFAVBQDBP-HUUCEWRRSA-N 445.503 0.778 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCOCCCO)cc1 1712881165 XGDDTSPGEFNYOE-JOCHJYFZSA-N 440.504 0.987 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1722704894 ZAOFOCWREXFXEW-DYESRHJHSA-N 445.524 0.334 30 10 ICEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)N(C)C)C2 1726234038 CNGVDCFWNIMSRF-UHFFFAOYSA-N 441.521 0.628 30 10 ICEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1730430983 FOCLQCJOFFANQO-KRWDZBQOSA-N 437.504 0.636 30 10 ICEE COC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730566192 YRKSNERLVMAPGU-QFPXGYFVSA-N 443.508 0.513 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740615801 LGOGVCHPTXECQR-MRXNPFEDSA-N 435.550 0.446 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740626895 WVTNYTKBJCGMQJ-KRWDZBQOSA-N 445.545 0.640 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740719984 OBMJDUQMZRQBIP-SFHVURJKSA-N 431.566 0.847 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(C)c2C)CC1 1749000845 BJSRYNUSMCJSFP-UHFFFAOYSA-N 438.536 0.570 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749187476 MTKANEDCABICIH-JKSUJKDBSA-N 438.554 0.436 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1749213636 PJRYWKJOMQKVML-AWEZNQCLSA-N 428.559 0.586 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1749664462 OHTUEKFHTWVJAT-UHFFFAOYSA-N 448.549 0.774 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)C1 1749712663 KJLDPFQHJOCTOO-HOTGVXAUSA-N 425.555 0.734 30 10 ICEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760242622 JRRSXJNUIIEJSL-UHFFFAOYSA-N 426.521 0.925 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCOC2)CC1 1760266022 OGUFXCNUKMPIIU-VXKWHMMOSA-N 447.536 0.047 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2snnc2C)C1 1760535378 PSMAFYNLYQKDGD-STQMWFEESA-N 427.556 0.878 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1770632845 XWWSUZDMXVTYHX-KRGDBVFUSA-N 431.472 0.835 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267166600 UWXYNXQFPAMGND-NRFANRHFSA-N 448.329 0.878 30 10 ICEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN3CCOCC3)C2=O)cc1 96567148 JJSUEGPKKARQSH-QFIPXVFZSA-N 430.505 0.857 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 552503620 HHMLXGCEHGWNJZ-UHFFFAOYSA-N 428.942 0.455 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 557849992 RBPDPCPCGGGKRY-OAHLLOKOSA-N 430.552 0.152 30 10 ICEE O=C(CN(C[C@H]1CCCO1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 744378907 HBAGCHURSRTSNY-OAHLLOKOSA-N 434.518 0.355 30 10 ICEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)[C@H]1CCCO1 776225213 AFNCFYRTTKGRKP-IPMKNSEASA-N 428.537 0.732 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837284005 CCXPGPNYQLOAJE-UHFFFAOYSA-N 448.508 0.038 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)s1 1175204513 OZVPFFKHJJQXFK-CYBMUJFWSA-N 427.548 0.245 30 10 ICEE C#CCN1CCC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1226938074 QSKFABVMBAHVDO-LJQANCHMSA-N 427.553 0.679 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1286780644 PPTJLZUYGHWTIJ-ZIAGYGMSSA-N 430.600 0.768 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300410477 NLLBDOXMRLEPJG-HNNXBMFYSA-N 433.513 0.849 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2ccnn2)CC1 1301086536 KYGUKGVFUQPJMQ-INIZCTEOSA-N 436.542 0.449 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1316281762 MABIHTRXZSUTGX-HOTGVXAUSA-N 426.543 0.633 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1358962445 PRSYJLCRLLFXRW-STQMWFEESA-N 435.535 0.064 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1359049737 VLFKNLAYVOTIGT-CABCVRRESA-N 440.595 0.456 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1359099216 LFQFOVUDROKDTM-OAGGEKHMSA-N 444.579 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1359333403 WTBIHHDTEGJHSD-KRWDZBQOSA-N 435.554 0.891 30 10 ICEE C=CCOCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1464959864 PLCDTTBTXNNRKM-OAHLLOKOSA-N 431.536 0.866 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507869646 WYFJDASSMAZEDM-SUMWQHHRSA-N 444.945 0.080 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508087834 QCOLVWQMCRSWHQ-WBVHZDCISA-N 445.568 0.909 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@@H]1F 1520706659 NPKMCKVVSZXGME-KCXAZCMYSA-N 438.485 0.918 30 10 ICEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC 1539369343 KAJOWJZRLFFECP-UHFFFAOYSA-N 432.554 0.461 30 10 ICEE C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OC 1556375695 PQTGELRPSCPCIN-JQJPNHIOSA-N 429.473 0.650 30 10 ICEE N#C[C@]12CN(C(=O)CNC(=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1558643157 NUSMXDCXEAOXCZ-BLLLJJGKSA-N 426.292 0.576 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1595603051 WHLASDIECKLKNE-QFIPXVFZSA-N 448.568 0.973 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831848 XUOAKIJRNCZJSD-KXBFYZLASA-N 441.554 0.231 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1596831104 IEMPLWFJQGQLDI-HLLBOEOZSA-N 439.586 0.690 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC[C@@](F)(C#N)C3)CC2)cc1 1683846833 LDOODQNWBNKMGL-LJQANCHMSA-N 439.513 0.794 30 10 ICEE N#CC1(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCOCC1 1686715582 FLBTZVOGLKOEMS-UHFFFAOYSA-N 436.490 0.450 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1690104094 MEZXPJSWDQNLRT-SJORKVTESA-N 441.554 0.266 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1705501764 NUEZEFWYBACWED-FOIQADDNSA-N 434.518 0.873 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCOCC2)CC1 1705644486 RUOYEGJYKCZBAR-KRWDZBQOSA-N 445.568 0.103 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1722402399 MEGOVJFWSBEYQJ-SJORKVTESA-N 426.587 0.705 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCC1 1740611226 XGUDUCRSEZUECG-GOSISDBHSA-N 438.598 0.947 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740990211 MJEDXUIHWAGSCU-HXUWFJFHSA-N 449.581 0.580 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1747665747 WIEANRYFWQBHAH-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1748816083 WRNVIANRKKVINP-BBWFWOEESA-N 426.539 0.808 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)CC1 1749017105 WLKVRCVMKWEYJQ-UHFFFAOYSA-N 445.474 0.611 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1760175637 OALBBGIWXBBKDT-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760190056 NWNOLXSLTKVUPB-IBGZPJMESA-N 439.545 0.981 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC 1760212721 CBXDUOYKJGGKGG-UHFFFAOYSA-N 442.545 0.794 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C1CC1 1760219553 HRDFUCUUMXFGJB-IBGZPJMESA-N 448.593 0.558 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)C)CC1 1760260448 SQSOZFUEBQWNHQ-UHFFFAOYSA-N 427.509 0.676 30 10 ICEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760354751 LXMIOZQQHBSJMI-UHFFFAOYSA-N 441.536 0.804 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760555518 HFJHPAXMPDOMFF-ROUUACIJSA-N 439.582 0.541 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771358125 GYWGHIYBJCDJLJ-KRWDZBQOSA-N 445.549 0.578 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1771367327 RLXKXCMFFGLSCS-INIZCTEOSA-N 444.521 0.185 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NC[C@H](C)O)nc1C 1872649040 HKEUVNATHMIMMI-VIFPVBQESA-N 439.450 0.234 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 460813020 ZAOMGAMLIUZBKL-KKUMJFAQSA-N 449.599 0.445 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 499716943 CEGXIGOQXVOADC-HXUWFJFHSA-N 448.589 0.675 30 10 ICEE N#C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732649507 XXDKESSCHSSZRP-LJQANCHMSA-N 432.546 0.839 30 10 ICEE C[C@H](CC(=O)NCCCN1CCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742611633 DAPORHHNPNPDMS-CYBMUJFWSA-N 428.536 0.046 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1C#N 787082203 ZDAPCMVAFWOEGR-SFHVURJKSA-N 439.394 0.873 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 803698976 LDPSYGJIRAGWQS-UHFFFAOYSA-N 427.482 0.597 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOC 838230856 BHLLNFFHWMYZBT-UHFFFAOYSA-N 438.513 0.166 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)C1=O 1133510548 CXCXBWICEGHICD-GJGORFQUSA-N 435.477 0.749 30 10 ICEE Cc1c(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cnn1CCC#N 1136683775 ONSSTSVPJUFNBO-UHFFFAOYSA-N 432.286 0.760 30 10 ICEE 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)OC 1141998069 HGWIREACQGBJHR-QPSCCSFWSA-N 428.507 0.338 30 10 ICEE C#CCN1CCC(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1161838367 XDXKWOKEEAFKSI-UHFFFAOYSA-N 434.562 0.661 30 10 ICEE C#CCN(c1nnc(COCC)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286397571 STOCQQHNVQNPMN-INIZCTEOSA-N 426.539 0.373 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1286788342 UYNHZQVLOJZBQD-INIZCTEOSA-N 438.598 0.793 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286823499 VLGDZXKYHFCISZ-QGZVFWFLSA-N 430.534 0.676 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1300018691 LGQVVMCXQIIKRZ-MSOLQXFVSA-N 443.529 0.761 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)NC 1300570192 YZMQYPNRPNZRJY-UHFFFAOYSA-N 431.518 0.974 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1300575039 CZCVOZCDSNVYFB-QLFBSQMISA-N 443.547 0.068 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1300674999 ISUZKPPJVVZTQS-UHFFFAOYSA-N 432.569 0.722 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nccnn2)CC1 1301337060 SXAHMEZAFRYEOB-INIZCTEOSA-N 443.533 0.674 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1301587943 AXDBWVFNUWEGPF-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1358968247 DOZXEKIVBAHGOV-UHFFFAOYSA-N 433.921 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359329255 CWTITBVKBSRAJJ-QGZVFWFLSA-N 441.517 0.631 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 1471451823 ZBPQTMDOQHAHDY-UHFFFAOYSA-N 438.307 0.618 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507631014 AZBMUKMOJMGHTH-IKGGRYGDSA-N 434.566 0.198 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC(F)F)CC1 1507737901 GTVMXATTZHTVAE-OAHLLOKOSA-N 438.479 0.867 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1508144168 CFSXPCLJLPFIOK-QGZVFWFLSA-N 447.517 0.670 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2F)CC1 1538844856 ZOWNUEHKOMGNJH-IBGZPJMESA-N 438.481 0.433 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539219933 OPJPRTUYNMGMPO-QGZVFWFLSA-N 437.566 0.352 30 10 ICEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1539599470 FWFNFQWZBVRECM-GFCCVEGCSA-N 438.348 0.602 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1540861716 DGGYDRIONNKLFG-UHFFFAOYSA-N 444.565 0.990 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)COCCO2)C1 1540882626 LUXSRJRCCGLITC-DAYGRLMNSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1540903042 XLONDWPUHHDGSV-UHFFFAOYSA-N 431.584 0.618 30 10 ICEE N#Cc1cn(CCC(=O)NCCCNC(=O)c2cccc(Br)c2)c(=O)nc1O 1584300849 RUMTYNVKFIJXHV-UHFFFAOYSA-N 448.277 0.909 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 1587668043 QUXSGXVSMFQKNV-SCLBCKFNSA-N 437.547 0.277 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C2CC2)CC1 1588885379 WGWKCHXZTGORIX-MRXNPFEDSA-N 429.569 0.865 30 10 ICEE C#CCCN1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1621695851 CPDJVMZWTIUPPZ-WOJBJXKFSA-N 435.546 0.993 30 10 ICEE CNC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(OC)c(F)c1 1627448789 QNJQFHBGGDKREG-MPHHAOFMSA-N 432.452 0.772 30 10 ICEE C=C(C)Cn1c(SCC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)nnc1-c1ccco1 1639155802 WZNBWDBOOFANRU-ZDUSSCGKSA-N 438.535 0.567 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1677674758 CAFBGGAXUWFQQR-HNNXBMFYSA-N 431.559 0.284 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1689987878 DTCFWVWQXJCHHC-LAUBAEHRSA-N 444.561 0.342 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1690076834 CABHOLXJPRYBLC-GJYPPUQNSA-N 425.555 0.622 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1690206308 NIOUIZMABIDUQY-FUHIMQAGSA-N 435.550 0.948 30 10 ICEE CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709371534 STYGEBUFSXBCQV-MVZUJROASA-N 443.508 0.542 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCCS2(=O)=O)CC1 1722447157 IEPNZOAPAVLBJX-UHFFFAOYSA-N 436.582 0.478 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722690127 FWOJXHCMVWRFCW-KKUMJFAQSA-N 427.575 0.109 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722692183 HFLYMVYGMBJKTC-AWEZNQCLSA-N 445.528 0.293 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1722706193 NBVUMXWBKODZLK-MRXNPFEDSA-N 432.456 0.250 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622613 FFJUJVFLSHIDOJ-CHWSQXEVSA-N 449.455 0.782 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627247 FOWRPKUTHVHHHM-QWHCGFSZSA-N 449.455 0.435 30 10 ICEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1747446261 FBYCATLPPRBVPZ-CQSZACIVSA-N 425.540 0.302 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1748671952 OOKMYPWONVHYJY-ZFWWWQNUSA-N 437.526 0.393 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2ccnn2)CC1 1749677948 PZOHRXXGZLWNFH-UHFFFAOYSA-N 438.540 0.950 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1760527089 YTTBTVWSHZBPGP-CYBMUJFWSA-N 431.522 0.274 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1F 1761500187 GWPQGOZSVCYGQQ-SMDDNHRTSA-N 426.449 0.944 30 10 ICEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1761779209 CIAKLBDSWSFLEB-SCLBCKFNSA-N 437.501 0.386 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3nccc(N4CCOCC4)n3)CC2)CC1 1889382059 DCYADBRPQSSTDB-UHFFFAOYSA-N 442.564 0.185 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267146187 LTDQZMOPHMTGSP-ZDUSSCGKSA-N 448.329 0.905 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccccc4F)n3)n2C)n(C)c1=O 21077442 CLQRIFXVTITOIP-UFWORHAWSA-N 429.441 0.825 30 10 ICEE Cc1cccc(C)c1NC(=O)CN(CCC(=O)N[C@H](CCCN=C(N)N)C(=O)O)C1CC1 211156867 HNMCPGWRWHRQLM-QGZVFWFLSA-N 446.552 0.719 30 10 ICEE C#CCN(CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 250652398 MOKUSBOWKUUINQ-ROUUACIJSA-N 430.592 0.457 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 735173210 TXQOFRMYUMIAFQ-IXPAQYDLSA-N 443.551 0.655 30 10 ICEE CO[C@@H](C)CS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 764192449 SPTCYUKEUVYEBD-ZDUSSCGKSA-N 431.536 0.766 30 10 ICEE C[C@@H]1COCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 769271563 WLIYNOGUHWDPOX-NVXWUHKLSA-N 435.502 0.607 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800019618 RAJBDRZLIJEJIK-UHFFFAOYSA-N 447.558 0.104 30 10 ICEE CO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316320778 QAEQITZFCLCWGC-IWHJNQCMSA-N 429.481 0.152 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1358994693 UHIPKPPRJMHRDW-HNNXBMFYSA-N 449.562 0.282 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn(C3COC3)nn2)CC1 1359173874 QOMMPFLFRYPNAB-ZDUSSCGKSA-N 436.542 0.502 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCS(=O)(=O)N1CCOCC1 1434929682 GCAQYGRNSKHLGB-OAHLLOKOSA-N 432.543 0.742 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1507726632 CMHWLPGGDSWYHO-XMMPIXPASA-N 438.576 0.894 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516841148 XLYXJNMHLHEVKZ-INIZCTEOSA-N 445.553 0.241 30 10 ICEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1517396497 BVFMLRCZRYQOFF-INIZCTEOSA-N 441.517 0.991 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539430747 NAXRWKKAKKZYCV-SJORKVTESA-N 425.555 0.192 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)OC)CC1 1539482314 SIEVSZIVGRWVMI-DLBZAZTESA-N 437.566 0.571 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540871520 NOKQYXNXJDMMTD-OAHLLOKOSA-N 428.497 0.209 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1554502299 HWGGTLIIWRJWHW-MRXNPFEDSA-N 436.494 0.240 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1 1588199020 FRWUVDFXLJZPLW-UHFFFAOYSA-N 429.340 0.741 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588955039 OOUOUENOTJTMGU-GAJHUEQPSA-N 438.532 0.770 30 10 ICEE C=CCNC(=O)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1595595030 QGUKTPUFFUKAQR-KXBFYZLASA-N 441.554 0.246 30 10 ICEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1595927468 QROBUWRNJXRKMY-UHFFFAOYSA-N 440.481 0.759 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1618847961 KTRGKDUAJWTRMU-MRXNPFEDSA-N 446.537 0.272 30 10 ICEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1619595693 AZRPPADGVAVKGP-QGZVFWFLSA-N 434.522 0.560 30 10 ICEE CN(C)C(=O)CN1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1620584153 JLNZTJZVKVVUDD-NRFANRHFSA-N 444.555 0.630 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)C1=O 1634130155 NZJGJCZYYILSBZ-UHFFFAOYSA-N 437.460 0.560 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 1636304205 JFNLJANLFAXYBO-KBAYOESNSA-N 438.546 0.960 30 10 ICEE Cn1c(=O)[nH]c(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c(C#N)c1=O 1639305604 HMZBMTHMVRMDDZ-UHFFFAOYSA-N 433.266 0.958 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689893021 SDMOUVKKKNREJU-JKSUJKDBSA-N 443.595 0.454 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690171252 XYWFQOBYMDCPPL-IRXDYDNUSA-N 445.593 0.338 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1690527574 PZLGOBOHBIAECM-IAGOWNOFSA-N 426.587 0.965 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1690724771 WFKVLPIUDIVDNG-HUUCEWRRSA-N 446.595 0.785 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)CC1 1690726581 FGUUJNMBLLYZQY-UHFFFAOYSA-N 448.574 0.686 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705516045 SSMVIQDCSYVIOC-MSOLQXFVSA-N 427.553 0.776 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1705597529 IFSYBIWQBPXEPN-RTBURBONSA-N 448.593 0.558 30 10 ICEE CN(Cc1ccccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1711098282 ARUBNMPWDWMBGJ-ZJYNUGOYSA-N 436.476 0.787 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722693149 FCTFMTKBJWWYJI-UHFFFAOYSA-N 435.488 0.912 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1740655586 DFVWTJBWDHAIER-KRWDZBQOSA-N 437.566 0.889 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1740686380 RWAAPIIAQYCATN-MRXNPFEDSA-N 437.566 0.715 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740700842 KHMSDMSWCXWODL-OPAMFIHVSA-N 444.536 0.020 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1749670551 TUFUHLDDMKKBQG-QGZVFWFLSA-N 431.541 0.080 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1750969868 HRYSAMMODPXXKQ-AWEZNQCLSA-N 429.456 0.714 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189200 SKOKORCTHBQPRS-SJLPKXTDSA-N 449.577 0.858 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1760250770 PLPJQQNFJKCMFA-UHFFFAOYSA-N 433.534 0.290 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1761465735 FHCQPLRETXVNRQ-AVYPCKFXSA-N 448.549 0.936 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)[C@H](C)C2=O)CC1=O 1854142916 LTUBFUAVRSUPCG-AEFFLSMTSA-N 433.530 0.919 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)ccc2n(C)c1=O 1890173772 IORIJVAMPZNELU-CQSZACIVSA-N 441.469 0.346 30 10 ICEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C#N 427774925 AGHXAKKYMYULGG-UHFFFAOYSA-N 435.531 0.999 30 10 ICEE CC(C)(C)N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 429341406 NIMBVOJPRSKMKZ-MRXNPFEDSA-N 433.534 0.974 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 434795937 SNCCYPTYICJVEM-UWJYYQICSA-N 428.468 0.209 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)CC1 438252691 CYSMDLAHGFHOBA-UHFFFAOYSA-N 435.550 0.887 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 440376934 RQEUDTCOMMGFJU-UHFFFAOYSA-N 444.557 0.563 30 10 ICEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)n1 477447796 CHCSHCJFCPDQJC-MRXNPFEDSA-N 442.541 0.910 30 10 ICEE CC1(C#N)CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 505039498 OQCZNWGFURPSAI-GOSISDBHSA-N 426.473 0.792 30 10 ICEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 512517262 SVKUHTQINQMWEH-INIZCTEOSA-N 442.559 0.831 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 514523758 OAFMXSMPNVLGBV-YOEHRIQHSA-N 445.516 0.882 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)c1 538497966 ZNKGEJFICIJFKP-OAHLLOKOSA-N 442.541 0.686 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 583720865 CNCCCHLUCWAVTA-JKSUJKDBSA-N 440.570 0.490 30 10 ICEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782831001 ASWAFTUCAPELQE-OAHLLOKOSA-N 430.538 0.718 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 807110496 UPUQTNVBTROAAL-ZNMIVQPWSA-N 429.543 0.811 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1=O 1166523866 CIJAQOGBAGINCR-SFHVURJKSA-N 428.445 0.980 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)ccc1F 1180243656 IABJBYYDWOLWRE-ZFWWWQNUSA-N 429.470 0.469 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 1187353639 QCQPBWZPCSMBGS-UHFFFAOYSA-N 446.451 0.633 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1286343943 XCZGEXWBHJINMA-MRXNPFEDSA-N 435.554 0.920 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)CC1 1286481237 UCZPYWQNYHEGCV-RBUKOAKNSA-N 434.610 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286489877 GWEYJGJRIQXDFH-VFNWGFHPSA-N 425.493 0.241 30 10 ICEE C=CCC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1297801513 YYPDKSGATLOWMN-KRWDZBQOSA-N 441.525 0.882 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300487705 LRBDCISCAYCDQM-IAGOWNOFSA-N 432.550 0.621 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 1302924388 LTQDRKOUJACQGG-FQEVSTJZSA-N 440.566 0.944 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358965695 ZHUMAIBJEOUBBZ-QGZVFWFLSA-N 444.561 0.663 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1359303918 FSMFZBAEPFTTCI-ZDUSSCGKSA-N 432.506 0.571 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)CC1 1473728763 HLNYDEHYXSBDSG-RBUKOAKNSA-N 429.565 0.945 30 10 ICEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCOCCCO)CC1 1521109549 CKWITVVNHKLJLO-SFHVURJKSA-N 427.509 0.774 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1538974144 RDZXUNACSXOZSK-MWDXBVQZSA-N 426.587 0.846 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC(OCC)C2)CC1 1539428519 SSWMMBLELDQUNW-UHFFFAOYSA-N 439.520 0.611 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1542978226 KIEBJSJTLYPOGN-ISLYRVAYSA-N 433.486 0.652 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1588128785 SLYZTMFOURGMSK-OAQYLSRUSA-N 446.559 0.909 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCOCCS(C)(=O)=O)CC1 1588800941 RXUKUVZFLSCBGF-UHFFFAOYSA-N 447.561 0.770 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595467354 SAGCWLBVJUGKAA-INIZCTEOSA-N 433.557 0.408 30 10 ICEE C=CCn1cc(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)nn1 1611256125 GMQRKVIGGWHIAC-UHFFFAOYSA-N 426.521 0.980 30 10 ICEE CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1620158583 DBOXONYZFVJPSF-UHFFFAOYSA-N 444.517 0.490 30 10 ICEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1626821685 IWBIESOENASVSL-SJORKVTESA-N 434.562 0.872 30 10 ICEE O=C(Cn1nc(Br)c(Br)n1)NCCN/C(O)=C1/N=CC=CC1=O 1627264340 CZXHSBDKQGUWAY-XFXZXTDPSA-N 448.075 0.446 30 10 ICEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1647922993 JZAXBSDNEJUDRB-AEFFLSMTSA-N 430.530 0.997 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 1665180002 VCLDRLFIUKEKDE-UHFFFAOYSA-N 436.437 0.351 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 1675267708 PUIIKGYCNLRHEC-UHFFFAOYSA-N 429.502 0.514 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1689852539 GZTRNCZZRALTQV-RDJZCZTQSA-N 448.549 0.911 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1689984448 PMVNLDQFVXKNPU-LAUBAEHRSA-N 446.529 0.732 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1690669214 YCMMTABCLPHLCH-UHFFFAOYSA-N 427.538 0.760 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1698309655 SOMCXTQFNWVVDX-CALCHBBNSA-N 433.490 0.439 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1705905834 IOWFNZJSBFFCGC-UHFFFAOYSA-N 436.520 0.877 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cnn(C)n2)CC1 1722446151 PJGREATTZSDWPO-UHFFFAOYSA-N 436.524 0.406 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740620953 ILVXMJXJPGQMJG-ZRZPHAQCSA-N 448.549 0.235 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740716322 PQHTWECJTGSMQB-QGZVFWFLSA-N 446.577 0.671 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740885052 VNVWRBPLJBCFIT-INIZCTEOSA-N 428.497 0.744 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748803386 YDFKRPCKJPVXDA-OXJNMPFZSA-N 437.566 0.858 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1749193950 UKVADKLPKJVQFB-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749591762 YAKCYCPGSBBNAS-UZLBHIALSA-N 449.533 0.607 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1749736753 OFRDRGHECOYFKT-INIZCTEOSA-N 433.534 0.790 30 10 ICEE N#Cc1ccc(OCCN2CCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C(=O)C2)cc1 1856362252 FFCDSWIZRQKAAE-UHFFFAOYSA-N 432.502 0.032 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)CC1=O 1856904901 SSOYQOVLZJDHRO-DOTOQJQBSA-N 446.485 0.755 30 10 ICEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871713043 GYIFMHJLPBRYJY-UHFFFAOYSA-N 425.493 0.957 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2081007536 ACDMJVXKPLTAOK-LFTMDZKFSA-N 438.330 0.878 30 10 ICEE COCCN(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270501759 XBZQQTLZOMDCMM-INIZCTEOSA-N 427.479 0.646 30 10 ICEE CC(C)N(C[C@@H]1CCCN1C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208090532 FLTKNBXQHHLBQA-DLBZAZTESA-N 434.346 0.335 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460777410 GNWAGRTXBJQCEO-CQSZACIVSA-N 446.599 0.469 30 10 ICEE CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555006427 OFDLYBFXSDQISP-UHFFFAOYSA-N 443.533 0.917 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)O)cc1 560909355 KQXCAFFVZIFKIB-APWZRJJASA-N 443.529 0.638 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 730537322 RVCDLWVWWBLANU-RBUKOAKNSA-N 438.571 0.877 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOC4=O)cc3)CC2)c1 809427287 FDKFPUBAIDXASX-UHFFFAOYSA-N 434.456 0.875 30 10 ICEE C=CCN(C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCS(=O)(=O)C1 1142059342 JWGIZPVHJYSMEH-CYBMUJFWSA-N 425.511 0.885 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CC1 1196065197 SNASKTCXRZEVTO-HBMCJLEFSA-N 437.544 0.796 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286398527 YECORHTVDXQKBF-GOSISDBHSA-N 442.549 0.732 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286505342 XWOLVUYVZGMARF-LSDHHAIUSA-N 440.595 0.361 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286568177 XWCVGABQYSPRRI-WFXMLNOXSA-N 446.552 0.723 30 10 ICEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCCOC)CC1 1286592224 RKWSUEXQPMWBFC-UHFFFAOYSA-N 445.524 0.467 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@@H]1C 1286786640 ICFZWPCYOLLQID-AWEZNQCLSA-N 433.538 0.766 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300479755 RUFNEZAAXHPGNJ-CABCVRRESA-N 427.502 0.125 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCSCC2)CC1 1300725806 KFQACSHOLQHHER-SFHVURJKSA-N 432.594 0.797 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302469723 MQVDWRGVWWUXPL-MRXNPFEDSA-N 431.522 0.767 30 10 ICEE COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1F 1312571944 PLNIBHUCZIJVFI-CKFHNAJUSA-N 436.465 0.907 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1313557185 DCNLKMLRAHTDOD-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)CCO1 1316540724 NIWBCFRSJVIUKL-GOSISDBHSA-N 432.525 0.963 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358963594 KSEMDOLDVRQPKK-BRWVUGGUSA-N 449.577 0.714 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359333359 VJQKZLKMWSDWKQ-UHFFFAOYSA-N 447.627 0.938 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 1444165280 HRHRUAJLOLEWNL-KRWDZBQOSA-N 442.559 0.702 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1 1464364894 NJCIXAQBTBSIIM-UHFFFAOYSA-N 434.952 0.724 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCN(CCC#N)CC1 1471237066 DXXTUOBTPDPLDR-GVDBMIGSSA-N 440.566 0.714 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1471251174 DYYZSEQNNPEMNX-SJLPKXTDSA-N 437.518 0.849 30 10 ICEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370416 HNZPUXLZYKUEQO-FZMZJTMJSA-N 433.465 0.964 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1507654140 WLIFPRCMEUBEKI-IRXDYDNUSA-N 435.550 0.499 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508139617 HYUZUFIPZULNGE-KRWDZBQOSA-N 447.565 0.637 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1537488937 VDQJIDOOWBBGGJ-OXQOHEQNSA-N 446.485 0.179 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1539344468 AHMJYYMOWIMSBB-IBGZPJMESA-N 426.539 0.329 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1555810962 RBTUQMOMBHTBTC-SFHVURJKSA-N 446.533 0.704 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588050894 XEVQYESORYTSOF-HNNXBMFYSA-N 437.547 0.320 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1610904938 YHBABWSVGMOJSM-MAUKXSAKSA-N 427.527 0.482 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1 1645477428 MQMIAKBOFVTYBS-GOSISDBHSA-N 436.534 0.688 30 10 ICEE N#Cc1cn(CCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(=O)nc1O 1648059302 BCVWZSHKECOFKW-IAQYHMDHSA-N 434.396 0.179 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 1677436894 SDGWUEMOZWPZCS-UHFFFAOYSA-N 449.577 0.456 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689995878 BNWIPDFVIBQMBM-AWEZNQCLSA-N 434.547 0.532 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1690659194 MKZOJAREKMYYNY-UHFFFAOYSA-N 434.545 0.350 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1690714965 ZQLVPBZQTXQQME-UHFFFAOYSA-N 434.513 0.404 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690983067 XFCPBCFMGZQNSA-HNNXBMFYSA-N 425.493 0.922 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)CCOC1 1696100198 ZPFSIHXSINOIHU-WOIUINJBSA-N 448.568 0.896 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1705550373 XEZKAAWUEFOZOW-HNNXBMFYSA-N 434.460 0.250 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705565619 IILNQABFXOLQDB-MRXNPFEDSA-N 443.595 0.454 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1705625271 FAHZQJIATOBIKZ-KRWDZBQOSA-N 448.524 0.900 30 10 ICEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1710195577 DYFWJQMTMMWTHA-UHFFFAOYSA-N 441.521 0.558 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722365888 FRFWXQBKMVZETR-IRXDYDNUSA-N 437.566 0.919 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740600305 KOMXPGXSQBKUQD-ZFWWWQNUSA-N 436.513 0.441 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740698277 CSURKBKQAUNUMF-PMACEKPBSA-N 443.596 0.655 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1740960402 QVXPDXRYDUHHTP-DLBZAZTESA-N 437.566 0.735 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)F)CC1 1749303458 KNSSYBPONXMGJZ-CYBMUJFWSA-N 448.496 0.149 30 10 ICEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750262576 DPMISNUMJRVJQG-XJKSGUPXSA-N 444.558 0.949 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760146032 ZYBXWRUDBZAENO-WMLDXEAASA-N 429.568 0.317 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1760255876 BKTBZYXFQYBKTE-JOCHJYFZSA-N 432.569 0.848 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760522199 NPYZATHNFAASBG-CVEARBPZSA-N 446.533 0.535 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)COc3ccc(Cl)cc3)C(=O)C2)C1 1856830254 NPKLFLPOIVAHSC-HNNXBMFYSA-N 440.909 0.317 30 10 ICEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267141660 YGNJOXDVXXABLK-UHFFFAOYSA-N 449.317 0.256 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460777409 GNWAGRTXBJQCEO-AWEZNQCLSA-N 446.599 0.469 30 10 ICEE CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506928037 HFNKFWUBTSYMNN-UHFFFAOYSA-N 427.553 0.134 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)n1 545463223 MDLJEGVDYJHMKK-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N=c1cc[nH]cc1C#N 584677392 YGWYECPPLLNWDJ-UHFFFAOYSA-N 429.502 0.962 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 619510165 WJVDFCBGBYSRIX-OALUTQOASA-N 447.561 0.270 30 10 ICEE C#CCN(CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C)[C@H]1CCS(=O)(=O)C1 731213676 NDSPZJUQTLTFIO-QFBILLFUSA-N 431.514 0.932 30 10 ICEE C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 765165841 FHHAYFBHMBJBGP-UHFFFAOYSA-N 436.577 0.611 30 10 ICEE COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1126304309 PQGNMKDFSSGXHZ-INIZCTEOSA-N 426.514 0.907 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCN(C)CC2)c1)c1cc[nH]n1 1136597258 OLNYWAMHNZLSRT-UHFFFAOYSA-N 442.520 0.757 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)C2=O)cc1 1248376017 RGKWMPXLFQSLJN-NNMXDRDESA-N 427.505 0.184 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 1264609558 VXEDZWKWXPBDOB-UHFFFAOYSA-N 445.501 0.635 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286392433 MCXWPWSQQAHAQC-GOSISDBHSA-N 425.518 0.672 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1300491961 KHCAUVLQWLPWDU-QGZVFWFLSA-N 441.517 0.757 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301568661 WJPAUQWICNFIFP-OAHLLOKOSA-N 425.555 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301578545 DFTCUCUKGMPKCM-MRXNPFEDSA-N 433.538 0.688 30 10 ICEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1309340113 GNEBEFMEFSPSFG-MRXNPFEDSA-N 431.511 0.821 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1358960683 JLQMDXPCIQVWMT-SJORKVTESA-N 429.550 0.846 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359298264 SXKGIXJRFIEHBI-UHFFFAOYSA-N 439.524 0.765 30 10 ICEE Cn1[nH]c([C@@H]2CCCN2CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc1=N 1460005531 VVCSUHQSGMTCGR-ZWKOTPCHSA-N 426.500 0.913 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1507772179 IHDBUTLCFKDVNZ-YLJYHZDGSA-N 447.565 0.579 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507962027 LDQGIAKLSBXKKS-HNNXBMFYSA-N 426.543 0.340 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512497910 ACNIBSINDKKDIK-CVTQAYBASA-N 443.508 0.542 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1539072464 RQSULCLZRSHBCS-OAHLLOKOSA-N 429.568 0.065 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 1556914806 UJWDLNCVLDJFOE-UHFFFAOYSA-N 429.458 0.864 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1587640160 PJJAYZOSBRBOQB-HOCLYGCPSA-N 438.554 0.128 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1588174132 QKLUYPADEMMFQY-FQEVSTJZSA-N 435.550 0.209 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3ccc(OC)cc3)no2)CC1 1683904431 OFMXKSCKSGTSBM-UHFFFAOYSA-N 433.490 0.645 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1690104200 PFUSPZPURPEMSC-SFHVURJKSA-N 448.549 0.449 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)CC1 1690111973 NSPCOTYPIREVNM-OAHLLOKOSA-N 449.585 0.038 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690668670 DWAOQXNMULGTFE-UHFFFAOYSA-N 427.513 0.319 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690722268 CMDIEEBALWYESY-FUHWJXTLSA-N 447.565 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1690731140 ASZBLNSOKZMKKW-OAHLLOKOSA-N 427.527 0.025 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1697048444 FHMUUUBRAQUDOZ-KRWDZBQOSA-N 447.517 0.877 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)CC 1705551890 FFENSDCTBILQFN-UHFFFAOYSA-N 432.554 0.461 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568755 UTRASHITQOKKMK-ROUUACIJSA-N 439.582 0.410 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)CC1 1705647687 LBZXCPMIGYUBHG-DLBZAZTESA-N 430.509 0.001 30 10 ICEE COCC1=CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712219879 ANLZLDUEALNUEL-MEUCICPISA-N 441.492 0.539 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722359991 BWCDNKRVKIAYIL-ZWKOTPCHSA-N 448.549 0.501 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 1722703239 XLCFQXVXIMLXNF-UHFFFAOYSA-N 426.506 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722729746 VZVJUFBVZVYIIW-HXUWFJFHSA-N 430.534 0.581 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1724009268 DGNZWQCGBHDATC-RHSMWYFYSA-N 429.568 0.745 30 10 ICEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740830015 RYHGMIFBPRFTHV-TXPKVOOTSA-N 426.539 0.708 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740957532 RBSRLAFYGNSJKL-QGZVFWFLSA-N 445.549 0.647 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)CC1 1748972997 URHFRSVIZQEXBU-IAGOWNOFSA-N 446.581 0.103 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(O)CCOCC2)C1 1749696995 GRJNLKKHLKAJKC-HZPDHXFCSA-N 443.570 0.601 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1770051899 PZNBLYJAWHXWCC-GOEBONIOSA-N 427.527 0.556 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1771356281 DOFUTJSKOSYQKW-WBVHZDCISA-N 428.518 0.824 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)CCn3nnc4ccccc4c3=O)CC2)nc1 1851711398 GVXFDVXLAOBKQB-UHFFFAOYSA-N 433.472 0.814 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256062427 LRELATNRBBZRBT-CYBMUJFWSA-N 436.318 0.733 30 10 ICEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2269047641 WCJQPHCVKRCKFS-UKRRQHHQSA-N 444.297 0.903 30 10 ICEE CCCC(=O)c1ccc2c(c1)N(CC(=O)N[C@H](CCCN=C(N)N)C(=O)O)C(=O)[C@H](C)O2 211159451 LMWOEAKDUYGWFM-GXTWGEPZSA-N 447.492 0.406 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N=c2cc[nH]cc2I)CC1 546838558 FLMBASFIVQWALK-UHFFFAOYSA-N 429.262 0.560 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 813563118 GWYNBZXFXICQFH-XJKSGUPXSA-N 430.534 0.692 30 10 ICEE O=C(CO[C@@H]1C#CCCCCC1)NCCOCCOCCC(=O)ON1C(=O)CCC1=O 888088036 PLHRQGJSIULEHT-KRWDZBQOSA-N 438.477 0.486 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 914496792 HEKSHDKXNMYUCJ-UHFFFAOYSA-N 448.451 0.988 30 10 ICEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)CC1 1084584594 NRIMVBPRBWOZQB-UHFFFAOYSA-N 449.453 0.933 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1157221456 HBVPMBJXIAURPV-RDTXWAMCSA-N 433.534 0.036 30 10 ICEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157883813 AGAVTXRWLDSFHQ-KBXCAEBGSA-N 425.532 0.032 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)ccc2c1=O 1184394052 SFOPTBPUIOXJHN-AWEZNQCLSA-N 428.514 0.974 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 1221557871 JRKBAZYMOISFOT-INIZCTEOSA-N 439.969 0.961 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1248518190 QKFXQWXIMGAYMG-UHFFFAOYSA-N 445.524 0.741 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1302438469 HHAJPSBTMPJQDI-DOTOQJQBSA-N 449.558 0.875 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C1 1303933334 JBPXFWIRAYRRPZ-PBHICJAKSA-N 444.583 0.250 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312485006 FWZSFEMRDREJOB-KBAYOESNSA-N 429.477 0.802 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358955627 PXJZRPBJHIMRBN-MRXNPFEDSA-N 447.565 0.442 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCOCC2)CC1 1359040782 GIUNFPOIXIPHBR-KRWDZBQOSA-N 449.552 0.509 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 1459757334 GOXPFCJGHNSQDQ-KRWDZBQOSA-N 447.536 0.959 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c[nH]c3c(Br)cccc23)CC1 1463915209 GFYKLHRQXYXJIE-UHFFFAOYSA-N 439.335 0.986 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@]23COCCN2C(=O)COC3)C1 1471232031 SFAAJCKEJMDULG-LJQANCHMSA-N 449.305 0.501 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1471252348 OXBHZAYJLUHWHF-OAHLLOKOSA-N 443.909 0.788 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494143567 ZPLOSJQGLNXLTE-DCOQFNDQSA-N 429.481 0.266 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507710057 BZYFSWWHRJGNQG-OAHLLOKOSA-N 435.554 0.661 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCOC2=O)CC1 1507737868 GNMPNAXROSNZCO-UHFFFAOYSA-N 438.492 0.543 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507870193 FTNSIMARWVPZKX-UHFFFAOYSA-N 435.960 0.897 30 10 ICEE CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1509755400 ULPYXMGMJWQICS-UHFFFAOYSA-N 434.508 0.796 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539211142 GWXDYIYHYZRYGI-HNNXBMFYSA-N 448.936 0.922 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1540905127 QCGMKHXRDWKNKE-KBPBESRZSA-N 434.609 0.723 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588059621 QZDOJQHRDVRREW-QGZVFWFLSA-N 442.607 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588930194 PHYZJCLPXOWXBM-RADWXHQJSA-N 431.537 0.678 30 10 ICEE CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1608141561 LQUKHFYGGJOQDD-UDJKBAMHSA-N 442.524 0.286 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1=O 1618020848 CSVSONYPUKKQQY-CABCVRRESA-N 429.539 0.656 30 10 ICEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1630030770 VWRZOYFYQFMMLC-LBPRGKRZSA-N 427.408 0.829 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCOc2ccccc21 1634616966 IISUPJNWEJBQPX-UHFFFAOYSA-N 428.470 0.657 30 10 ICEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1644351693 VUDQPOVXZLHOHU-MEDUHNTESA-N 432.424 0.752 30 10 ICEE COC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 1653865265 OUASLVGQANGYPP-OIISXLGYSA-N 428.445 0.705 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1690622197 KFKHQDIZCTZQAN-MRXNPFEDSA-N 425.511 0.891 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCN(CC)CC1 1705542015 WPWPAJFMDJSXAZ-DLBZAZTESA-N 425.603 0.231 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1705551280 KPQRYIVEVGPJHK-SFHVURJKSA-N 433.534 0.897 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705937269 OPUXTOZWCZJNJP-MRXNPFEDSA-N 432.550 0.922 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722364129 XRSGNUWAWLQSBN-MJGOQNOKSA-N 446.529 0.996 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722700197 ZQSHFWUGBOUAKX-UHFFFAOYSA-N 426.525 0.599 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964391 BLVAJGVVKVAHJG-BEFAXECRSA-N 441.554 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740985091 BEAADMXKULVKRL-HNAYVOBHSA-N 441.554 0.401 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748635427 RTIUQHINJUDIOV-OAHLLOKOSA-N 430.534 0.862 30 10 ICEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749600601 GJDMUYNTCDJWNQ-UHFFFAOYSA-N 443.552 0.640 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749669596 MBMQPXOTDPJHJP-HOTGVXAUSA-N 440.570 0.192 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181738 AWAOGJIDJAHFST-CVEARBPZSA-N 437.566 0.700 30 10 ICEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1770703549 NZXSMSHBDCTHKC-QGZVFWFLSA-N 437.504 0.636 30 10 ICEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1771468395 SLMFONMYINYOCB-LSDHHAIUSA-N 444.583 0.483 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C(=O)C2)cc1 1857387961 DBMIDXVBUBVAOK-SFHVURJKSA-N 430.530 0.933 30 10 ICEE Cn1nccc1[C@@H]1OCC[C@H]1CN=C(NCc1cc[nH]n1)N1CCN2CCOC[C@@H]2C1 2080494530 CSUJMCAUDKGIDD-XKGZKEIXSA-N 428.541 0.383 30 10 ICEE COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 20513488 HKUDPTSFRGZJKX-UHFFFAOYSA-N 435.487 0.562 30 10 ICEE CC[C@@H](C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 31294845 XBWIHRJEMMBRCO-BEFAXECRSA-N 436.534 0.568 30 10 ICEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 463518829 LPYFPWPIYOGHTL-UHFFFAOYSA-N 425.507 0.595 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478754290 NVJADXPAKYPRNR-HOCLYGCPSA-N 428.514 0.321 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cn1C 503624531 FADCBUPENYCOTN-LJQANCHMSA-N 439.538 0.823 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506918219 QQLRPSBAGWBKBW-LJQANCHMSA-N 449.515 0.879 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 508938563 KUJMVZAJXFMDCL-FPXQBCRKSA-N 441.554 0.570 30 10 ICEE CCOC(=O)C1CCN(C(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)CC1 585673338 BBBMRXLLZLVMHY-LGLIPDSZSA-N 428.445 0.862 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 590913947 DJBFVOBVAAJKBM-GOEBONIOSA-N 445.516 0.882 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 603797640 LGIDGCHCDZAQGB-UHFFFAOYSA-N 438.553 0.356 30 10 ICEE C#Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 780560711 IZGSAVWOPBGIFU-FQEVSTJZSA-N 448.527 0.988 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 783031430 ZKTQRPJVYSSMRW-MRXNPFEDSA-N 440.533 0.391 30 10 ICEE C[C@@H](C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)n1cnc(C#N)n1 798747852 PBEKBCVITSPMRM-ZDUSSCGKSA-N 446.489 0.484 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 810647816 OSTIYNWTYADGPC-ZDUSSCGKSA-N 449.348 0.376 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1286787594 HGQDJEFUKONNNX-BEFAXECRSA-N 440.570 0.540 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1286940776 HBWMOHFDIJHXGP-KNQAVFIVSA-N 439.520 0.225 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)COCCO1 1288117449 SCBFVTBAHOOWRU-OAQYLSRUSA-N 441.492 0.757 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cccnc1=O 1297515941 MDEXLRYHRUYWTH-INIZCTEOSA-N 431.518 0.903 30 10 ICEE CN(CCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1298641835 VRPWUCPERUKEEB-UHHPSXQGSA-N 448.549 0.943 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300336387 FTMQQNMRLIPBPP-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358920533 AWYNQXVAOYEKKX-INIZCTEOSA-N 432.525 0.343 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1358954861 ZFSGMTLJURTXAQ-AWEZNQCLSA-N 426.543 0.969 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)CC1 1359034257 JQPVTJSWHAYJKN-UHFFFAOYSA-N 444.565 0.130 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCSC2)CC1 1507726364 IGTPGSUFUMCACX-NRFANRHFSA-N 431.610 0.593 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508109320 QJRLQOGVEZWNNX-MSOLQXFVSA-N 446.552 0.790 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508132264 WGOAYBVGHQSABA-HOTGVXAUSA-N 425.555 0.880 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1555807791 FCHOVDASAZCLQU-MRXNPFEDSA-N 431.522 0.767 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1557422310 IRDNECKOBSYZEE-VXPUYCOJSA-N 432.502 0.454 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1562066363 CYRZOOWOMGZGHF-HOCLYGCPSA-N 443.547 0.702 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1588029378 HBVNVGYCADZCMW-OAHLLOKOSA-N 428.580 0.803 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588780374 NOVKGRCPYFGEFC-FQEVSTJZSA-N 449.964 0.903 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1589068931 GGNITSBYEHMQQU-INIZCTEOSA-N 447.590 0.663 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595569151 AYKPWGWSFKCFFD-UHFFFAOYSA-N 446.577 0.884 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1O 1618884509 DPEXVTBROZLPNH-YVHKJVDXSA-N 438.488 0.655 30 10 ICEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1630040087 CVGZNFOWVVXILX-MRXNPFEDSA-N 430.486 0.984 30 10 ICEE CNC(=O)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1649676549 PRFPYUXEGLKNSA-UWJYYQICSA-N 431.541 0.631 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 1665506292 HKIMTSAHYBJILA-UHFFFAOYSA-N 449.595 0.542 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1689853574 VZQNXTSHTXIHJG-HOTGVXAUSA-N 425.555 0.764 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689982665 RRQKJSMXRFZODD-DYESRHJHSA-N 446.529 0.732 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689986729 VWXVVHXTMSRIFZ-CQSZACIVSA-N 438.460 0.348 30 10 ICEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690506621 VJBZLZRTYWOTQC-UHFFFAOYSA-N 441.536 0.804 30 10 ICEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705531875 ZSQZTJBGNNIBLC-UHFFFAOYSA-N 425.537 0.947 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705560602 IOETXYYBARWTOZ-JKSUJKDBSA-N 431.509 0.569 30 10 ICEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705758842 FONBVMDBPUGZRQ-OAHLLOKOSA-N 441.879 0.628 30 10 ICEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1722458264 YHJZZQJGYVCCMW-UHFFFAOYSA-N 433.563 0.541 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1731216133 FRNGUYJTDVHBTH-ZPHPHTNESA-N 443.508 0.249 30 10 ICEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1740942190 FVSAEUSULSXSIT-UHFFFAOYSA-N 435.550 0.842 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1740992844 UTQJKZTVDXLHCU-CVEARBPZSA-N 445.611 0.311 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CCCC 1760117643 RTIYZYKDULUELP-DLBZAZTESA-N 426.587 0.801 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1771112753 WVASUFVHZXDKAY-ZIAGYGMSSA-N 433.481 0.971 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)C(=O)C2)C1 1854354829 RRULFVITADEEBH-IAGOWNOFSA-N 432.502 0.029 30 10 ICEE CC(C)CS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)C1 1855026213 FBBCWZKKWXJJCZ-LJQANCHMSA-N 432.546 0.832 30 10 ICEE Cn1c(=O)c2cc(C(=O)NCC#CCN3CCOCC3)n(Cc3ccccc3)c2n(C)c1=O 1889671159 YSSBRJFOLALMLZ-UHFFFAOYSA-N 449.511 0.152 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286046499 CAEGUFUJXQSCTG-ZWKOTPCHSA-N 437.518 0.471 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)CN2C(=O)C(C)(C)c3ccccc32)CC1 429732372 WWOMQMXFOCWDPA-QHCPKHFHSA-N 428.533 0.508 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 437841568 XHYIVTRBMUKYIE-UHFFFAOYSA-N 435.550 0.373 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(N)=O)CC1 508496154 CLLYCFWGZYYKIG-HNNXBMFYSA-N 426.543 0.279 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C 542726738 ANEAGAXHJILOCZ-UHFFFAOYSA-N 430.486 0.709 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 574685197 QPCZRSGRSSIHGX-GOSISDBHSA-N 448.549 0.183 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 584438855 RQEAOAYYBUFSIX-HNNXBMFYSA-N 426.543 0.246 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(F)c1 586860841 SEQOIGNVIJESNG-UHFFFAOYSA-N 444.488 0.988 30 10 ICEE C#CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332229 WNNBNFJEGXWZER-ZWKOTPCHSA-N 448.541 0.744 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767801610 ZYULZMOXXJDASF-AYHJJNSGSA-N 448.564 0.895 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781136555 LFJXZHISTZQIQJ-UHFFFAOYSA-N 444.520 0.522 30 10 ICEE O=C1/C(=C\c2ccc(O)c(O)c2)Oc2c1ccc(O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2O 1082552874 UBWXFKAQTFNVSG-WURLYPKTSA-N 446.408 0.262 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1 1136287098 SEQBJMYVMTWHSN-OBGWFSINSA-N 431.540 0.176 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@@](O)(CC#N)C3)CS(=O)(=O)[C@H]2C1 1163163212 QNXXEPRBDMEYGX-CUYVQJCZSA-N 427.523 0.534 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286484375 MREVJSKAIVNXED-QGZVFWFLSA-N 426.512 0.926 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286789351 FGNDHKDUIBNRPJ-OAHLLOKOSA-N 443.533 0.705 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)N1CCOCC1 1293112945 AJAFVWVUEOZBAR-IRXDYDNUSA-N 425.541 0.938 30 10 ICEE CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1299222504 ZLDYDNXDHMJHFP-VXPUYCOJSA-N 438.492 0.363 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1300270119 BECPWFXYQXGWSP-SJORKVTESA-N 438.598 0.991 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300493257 SZJXSLPWGZBGQC-OLZOCXBDSA-N 435.535 0.064 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1301223317 RJORAUXRMFTRFO-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1301592887 FYKAUMWBQYKVTG-QGZVFWFLSA-N 449.581 0.703 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 1302923674 CVBOXGXUCNYFJK-GOSISDBHSA-N 442.900 0.974 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)CC1 1302923982 HBGMCKSJTNQQLA-HZPDHXFCSA-N 428.555 0.634 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1311944851 OVNYMMBRDWAYEA-OAHLLOKOSA-N 431.559 0.331 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CCO1 1316537107 ACAYBOKIHRWOTH-AWEZNQCLSA-N 437.913 0.758 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnnn1CC1CC1)[C@H]1CCS(=O)(=O)C1 1358956302 DFQZLKMVFNSFRX-HOCLYGCPSA-N 432.554 0.863 30 10 ICEE C#CCN(c1nnc(C)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@@H]1CCS(=O)(=O)C1 1358956475 GHVMOTAKJUEHEA-OAHLLOKOSA-N 439.538 0.507 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1359294594 YLEBYKVJAQAFCR-OAHLLOKOSA-N 430.490 0.380 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)ccc1F 1470142790 RMGIXKOUFXKEGJ-AWEZNQCLSA-N 445.480 0.736 30 10 ICEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507608643 POSNTGBPFRFSCL-HXUWFJFHSA-N 426.502 0.750 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1507708549 LDYOQZWRONUECD-UHFFFAOYSA-N 443.529 0.842 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1508148360 RWXREWURLJIORQ-JYJNAYRXSA-N 441.554 0.270 30 10 ICEE CN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1517197827 IUMLRVSHAMVRDD-ZFDMEJTGSA-N 434.522 0.553 30 10 ICEE CO[C@@H]1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C(=O)OCc2ccccc2)C1 1538309882 KGEFQFUDCRWKPW-NYUBLWNDSA-N 447.513 0.809 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1539013806 JXSIIACPNVLFJJ-IKGGRYGDSA-N 426.587 0.799 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1539967268 PRKNRBKVXUPRNT-OWCLPIDISA-N 427.527 0.529 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540902372 HUNSKWBZGMKZIH-LSDHHAIUSA-N 432.568 0.744 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)C(=O)OC(C)(C)C 1545152686 PYRQFJQIFLXWSR-UHFFFAOYSA-N 431.555 0.756 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1554301767 XWVCAGDZEOTGRZ-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE COC(=O)C1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC(CO)C1 1558796919 GUUBACVHPHVILQ-UHFFFAOYSA-N 437.518 0.716 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1587638035 AVXDKOKTPDOTKK-AYGAQVIVSA-N 432.506 0.165 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1588140389 WJOLGQKNKLPLTI-OXJNMPFZSA-N 447.517 0.185 30 10 ICEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594083004 DGYHWBOKNUDEMK-UHFFFAOYSA-N 432.510 0.943 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1)C1CC1 1595058155 CBVNVUMEESFVOH-OAHLLOKOSA-N 436.542 0.435 30 10 ICEE CS(=O)(=O)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1611518461 XCJWTMVHMKVLJL-DZGCQCFKSA-N 425.894 0.837 30 10 ICEE C#CCCN1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1621695849 CPDJVMZWTIUPPZ-UXHICEINSA-N 435.546 0.993 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1cc[nH]n1 1641119355 BDHSLSPETXMTAS-ZDUSSCGKSA-N 429.433 0.624 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 1683847654 XTDPBKHBWXTVCG-GOSISDBHSA-N 437.522 0.081 30 10 ICEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)c1 1687346484 IKMBUSNQHMIURO-ZVDOUQERSA-N 432.546 0.776 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CCC)C2)CC1 1690111646 GSPUQANJGUPCEK-QZTJIDSGSA-N 437.614 0.375 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1690175327 USQIACOJLWCOCV-MRXNPFEDSA-N 427.596 0.315 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690725498 RXJCGOKFPNMQFM-SJORKVTESA-N 430.534 0.580 30 10 ICEE CCc1nnc(N2CCC(S(=O)(=O)CC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694700603 NMGOURNHEMJEBL-ZCXUNETKSA-N 436.538 0.770 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1705700394 SQXXVTZHCRPFFP-KONPQCLYSA-N 437.566 0.828 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)COCCO1 1706867059 NKYCJOJGYRHSEW-KBXCAEBGSA-N 426.543 0.824 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1722442489 TXDQQFGHKUFROG-HSZRJFAPSA-N 435.532 0.551 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1729224008 CRNUYXAVDMGECG-KRWDZBQOSA-N 439.473 0.387 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748802248 OFEFVPAMHGVFJO-KRWDZBQOSA-N 433.534 0.488 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1748993332 VQHIPFMJZLACPQ-UHFFFAOYSA-N 432.550 0.182 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C(=O)NCC)CC1 1749008983 KAHPYOYEOTWJPM-UHFFFAOYSA-N 438.536 0.863 30 10 ICEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749253411 ZRYIQRVKCAQBIN-HNNXBMFYSA-N 442.948 0.928 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1749650532 ASPWUUORIREQRO-ZMYBRWDISA-N 438.554 0.197 30 10 ICEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1751306785 SKXPSTQVOLBTEY-IFXJQAMLSA-N 432.506 0.804 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCN(C)C1 1761472988 HVMXCHAHZKPJJC-KBXCAEBGSA-N 425.559 0.085 30 10 ICEE C#CCN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1)C(C)C 1853143621 NXJRXZDDAFCOMU-KRWDZBQOSA-N 428.532 0.877 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)[C@H](C)C2=O)CC1=O 1854141544 CBGPOSREMVDGJH-CABCVRRESA-N 437.493 0.917 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)CC1 1889438862 KYKCAIJLUWPUDS-UHFFFAOYSA-N 440.544 0.670 30 10 ICEE COc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)n1 1890261613 NKUDDWHSRIMGGZ-UHFFFAOYSA-N 446.548 0.736 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247875694 ASDARJHTPSSZGI-GHMZBOCLSA-N 443.335 0.058 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267089141 AMVGLGVQQNZZHE-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267147552 VNCYOKWDZWNUPU-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 11623296 DNVUYGUZFQSAHN-UHFFFAOYSA-N 445.291 0.376 30 10 ICEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccc1O 59830538 CBWJQQVWDREYKY-ZVBGSRNCSA-N 441.477 0.782 30 10 ICEE Cn1c(=O)c2nc(C3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)[nH]c2n(C)c1=O 222508102 KTHUNHHMYIYNJF-UHFFFAOYSA-N 428.474 0.400 30 10 ICEE C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@@H]3C[C@H]21 257512876 PKJSJCXVCCZASJ-BYYUKMNNSA-N 428.441 0.682 30 10 ICEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C#N)c(SC)nc2O)C1 489181147 SYAZENMXBNLWAN-ZDUSSCGKSA-N 428.536 0.893 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 513560372 NJZMYVSXDMVUFI-UHFFFAOYSA-N 427.548 0.837 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 549246178 FACPCFLWQXFZRM-KXBFYZLASA-N 438.554 0.294 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1Cc1ccccc1 549550929 NWJUZLXQUJOFDV-UHFFFAOYSA-N 437.525 0.440 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)[C@H](C)O)cc1C 729263902 FVGAYSPVOPUHRO-UXLLHSPISA-N 425.507 0.635 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)c1 730145138 XAJXERIUUJUUSB-SFHVURJKSA-N 429.546 0.803 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(=O)N(C)C)c2=O)cn1 735068251 GOTPGLZYWFTCFH-UHFFFAOYSA-N 449.536 0.990 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2S(=O)(=O)NC)n1 799819531 MLIZHNILGXENCZ-UHFFFAOYSA-N 426.520 0.262 30 10 ICEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 803922934 FIFFCYARXQGUKH-GOSISDBHSA-N 449.504 0.603 30 10 ICEE C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 808283671 SNEGUXBQOIEVHQ-UHFFFAOYSA-N 434.561 0.058 30 10 ICEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cn1 917768613 RENOHTXGJOEIKH-INIZCTEOSA-N 441.557 0.822 30 10 ICEE COCCn1cc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cn1 1084536794 CJONVUQQKCCUQU-UHFFFAOYSA-N 443.537 0.998 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)CC1 1152967941 VXTZZMYETRNHRL-IBGZPJMESA-N 446.573 0.994 30 10 ICEE COC(=O)C1(C2(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1159286218 ZXKPWAYECMDVCD-OAHLLOKOSA-N 449.529 0.922 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC 1286299910 ZUTQHXHPAFOSFG-LSDHHAIUSA-N 431.584 0.310 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1286509357 PBBHJOWASTUGKU-OAHLLOKOSA-N 425.580 0.509 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286780094 BLYGNROSUFVQAY-HNNXBMFYSA-N 426.525 0.914 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1301478834 PFQUJULATPHMFF-RYUDHWBXSA-N 438.476 0.969 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1301501671 ZRGOMMBBFUGZHK-DLBZAZTESA-N 437.566 0.878 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1301514424 JNRIRIHVWJWZTO-UHFFFAOYSA-N 446.483 0.593 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)cc1 1302574781 UNXFMUDUSXYBOH-UHFFFAOYSA-N 425.474 0.246 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)C[C@H]1CS(=O)(=O)C2 1304272291 QMJUOBXHTGPKHF-NNMXDRDESA-N 438.509 0.819 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305548408 ULMMUMQGYLISCW-IUTYPILCSA-N 442.524 0.874 30 10 ICEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1316137990 SGWNRZASWVMKEM-FMQUCBEESA-N 445.524 0.298 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359229101 YLVYSWZQHQLMPE-INIZCTEOSA-N 440.570 0.463 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1439606669 BBGNCOKGAXLDLW-GJYPPUQNSA-N 437.543 0.484 30 10 ICEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1473745927 BUHVXRCAOJVPPD-KRWDZBQOSA-N 435.546 0.885 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507968306 RDJBGMULUCMQIY-LJQANCHMSA-N 448.568 0.356 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccs2)C1 1519561711 DFYVJTYPVNAQPY-HIFRSBDPSA-N 438.535 0.450 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1539369482 LTHOSICZISKCIL-GJZGRUSLSA-N 445.636 0.919 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)CC(=O)N[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1540620621 XUQQHNJLRYVJER-OAHLLOKOSA-N 448.549 0.841 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCCS3(=O)=O)C2)C1 1542437316 VSXVXCLAVCKMAL-XAUUPUKJSA-N 426.539 0.925 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1556538568 ATGFRKHQSZMNJK-HIFRSBDPSA-N 445.545 0.675 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1588029442 HZRFLNVQVHXSMS-MRXNPFEDSA-N 433.538 0.330 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1594627979 YHZCYWHEKPBPRE-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1595522313 BPTGUWDYMATMIF-SJORKVTESA-N 443.552 0.953 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1595799054 WGOQITQCAIQGDM-QGZVFWFLSA-N 449.581 0.833 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1([S@@](C)=O)CC1 1616910320 DLEWRLPWEJMYGE-WJOKGBTCSA-N 446.581 0.966 30 10 ICEE COCCN(C(=O)CN1CC[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1620441768 YUGGNQXBZXUGFG-JOCHJYFZSA-N 440.504 0.794 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1=O 1626247368 WPCBVPVHQDELBU-AWEZNQCLSA-N 427.548 0.752 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2)C1 1645991790 VNADHYLZEQZRKP-MLBPIDQTSA-N 426.539 0.910 30 10 ICEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1648355690 UQXDWMJFBFQVEB-LBPRGKRZSA-N 443.319 0.727 30 10 ICEE Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C#N)c1=O 1651274161 HGPFRDZAFFJOGO-UHFFFAOYSA-N 431.518 0.754 30 10 ICEE C#CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1677882555 XLQMNMQBIQWDLR-HNNXBMFYSA-N 425.507 0.540 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CC1 1678927560 FSSPEUGIIDURHK-GOSISDBHSA-N 437.541 0.898 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690111774 JTYWOPIQLNTWTM-DLBZAZTESA-N 446.577 0.745 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2ccnn2)CC1 1690132880 ZTKWTAJFNDTKSX-UHFFFAOYSA-N 439.549 0.707 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1690345922 HDLRQAWWQORZJP-OLZOCXBDSA-N 432.934 0.078 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696899538 PTGQYSWRONVHOV-JQHSSLGASA-N 445.568 0.951 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705565184 GWCXFFKGGRNSDP-KGLIPLIRSA-N 436.563 0.871 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1705573260 CPGJLBMVUQJUDH-MRXNPFEDSA-N 442.545 0.563 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705663863 FKUOJWTURNLGHD-GOSISDBHSA-N 432.594 0.925 30 10 ICEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705807190 VWXGLZLBOIFKDF-GOSISDBHSA-N 445.568 0.566 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1705934887 ZZYRQZJNCSVFIJ-MRXNPFEDSA-N 436.538 0.966 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1711418624 NAFKVNDSCBYGNT-SFHVURJKSA-N 448.549 0.998 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1722452660 ISTGOIVQYCRGLN-INIZCTEOSA-N 427.534 0.813 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1740726248 ZWJPLSVTVJTLNI-FOIQADDNSA-N 432.550 0.936 30 10 ICEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748269293 HFPPJUJNHCDBAF-ZDUSSCGKSA-N 429.481 0.673 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1748906009 NZMQGDCRSRGPQU-CQSZACIVSA-N 439.563 0.800 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1749668669 CGJWAVQYIOWOMA-HZPDHXFCSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749672042 OIKDEEQASQCHED-HKUYNNGSSA-N 431.585 0.768 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1760170514 GBBMLJFJVRXRHY-AWEZNQCLSA-N 436.563 0.742 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1760176156 ZYIPTWXQWROHCX-KRWDZBQOSA-N 438.598 0.945 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760517645 UBNGUMPELUOSAQ-INIZCTEOSA-N 425.493 0.812 30 10 ICEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1CCOc1ccc(C#N)cc1 1855880285 WODSJTBQCAUNAR-CRAIPNDOSA-N 434.518 0.420 30 10 ICEE C=CCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(\C#N)C(=O)NCCOC 96793332 MMAKPUMPJSXEOK-SRGIJIBBSA-N 435.452 0.963 30 10 ICEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@@H](O)[C@@]3(O)[C@H](C)O1 257519163 QBQXQYSJPWXZJL-SXOKYUQYSA-N 444.392 0.288 30 10 ICEE biogenic CC(C)(C)N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 429341405 NIMBVOJPRSKMKZ-INIZCTEOSA-N 433.534 0.974 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 509010427 GDMBWQXYWDLSTM-HZPDHXFCSA-N 440.570 0.682 30 10 ICEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O 514835478 HEVPKWCARQNTCJ-UHFFFAOYSA-N 438.553 0.332 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NN=CCN3C(=O)c4ccccc4C3=O)nc2)CC1 755554773 ZWQNGWWIIQJVOI-UHFFFAOYSA-N 442.501 0.712 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1cnn(C)c1 776345485 FDWQMDBHPWZHQE-SCDSTIRESA-N 432.481 0.971 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 788694716 VEVYNEYTCWXOQG-UHFFFAOYSA-N 440.547 0.604 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)ccc1F 914657564 QXDAIZTVYGYBJQ-GFCCVEGCSA-N 441.481 0.572 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)s1 1148028247 DFWKWTCBDHWWIN-CQSZACIVSA-N 437.547 0.800 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1254641520 KNDKQWOVTVJNKE-FQEVSTJZSA-N 427.553 0.581 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1272408157 GWDIZIWZHWIAJR-UHFFFAOYSA-N 442.515 0.424 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1286414237 TZYOTNKIWNKQOS-UHFFFAOYSA-N 441.561 0.960 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286607567 ICJQYFYPGRMXMA-WBVHZDCISA-N 425.555 0.830 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1 1299142224 HENWEDARSPPMBE-SJORKVTESA-N 426.516 0.792 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300663763 IIVQKZQGPJOAKM-UHFFFAOYSA-N 447.503 0.947 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301429333 XHMXHYAKFSQOOR-CQSZACIVSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1301567272 GPGDWCQDNSSXMF-CQSZACIVSA-N 425.511 0.114 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[S@@](=O)C(C)(C)C)CC1 1359044336 CNWOLTPLHWUYKO-RKXCMPKHSA-N 448.593 0.742 30 10 ICEE C#CCCN1CCC(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1465396702 NTQJEZVPTFSQIW-UHFFFAOYSA-N 426.560 0.722 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508140369 IGYVCGPEEFALNA-IXDOHACOSA-N 437.566 0.830 30 10 ICEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1508697527 CMRKZPVHSHXKQD-MWSMCUOVSA-N 429.568 0.456 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1513984669 SALWIYKHMGFRCX-SDRDPSJBSA-N 443.508 0.761 30 10 ICEE COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1=O 1519189696 AFJDLJNSHRRSCB-OAGGEKHMSA-N 438.554 0.271 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1538760472 BBGNCOKGAXLDLW-JTDSTZFVSA-N 437.543 0.484 30 10 ICEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539900083 HFFXTKJTGZLTLK-ZWOKBUDYSA-N 440.566 0.954 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1540917392 VGMDLMMWJOZLMS-AWEZNQCLSA-N 429.568 0.988 30 10 ICEE CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1541359332 GGPIFIXCFJXRSZ-UHFFFAOYSA-N 441.492 0.422 30 10 ICEE CCOCc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1548137571 MLYNFHQDGXXXFD-PCYKQNFTSA-N 429.481 0.057 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1587989260 IAUSOQTURPGRSE-QGZVFWFLSA-N 438.598 0.945 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(CC)CCN(C(=O)OC(C)(C)C)C2)CC1 1588199193 IVFNJIDOIYHWLD-IBGZPJMESA-N 428.555 0.635 30 10 ICEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593779098 RTQXDEXDOFGNJT-UHFFFAOYSA-N 445.391 0.905 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1594943451 RIYCXBODAPOZMB-UHFFFAOYSA-N 431.522 0.754 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1595550334 COOATWWXDMHOQT-YOEHRIQHSA-N 426.477 0.808 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)CC1 1623499276 WHBIUZOOKUTLHZ-UHFFFAOYSA-N 426.583 0.918 30 10 ICEE Cc1ccc(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)cc1S(=O)(=O)NCC#N 1629674614 DMSHTTIMIUTUGG-QGZVFWFLSA-N 437.518 0.942 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1636857030 REIXUDOBDFWHDO-IPHFAUEHSA-N 442.559 0.840 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1643372545 QGAJFILALMWWLT-HNNXBMFYSA-N 428.555 0.491 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1649678453 KJSKAKKNJZSTDT-LZICOFPGSA-N 445.524 0.661 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)OC 1671583145 YFFAINGNURWKEW-BBWFWOEESA-N 428.445 0.657 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1689901486 KXNWFYBKYJZRST-LJQANCHMSA-N 441.580 0.947 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689987809 CPXPFRALLXWELQ-ULQDDVLXSA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1689987853 DEWIWTDQLXYDFW-IIBYNOLFSA-N 442.545 0.754 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1691010389 GQIZHMQSWAQYDT-RHSMWYFYSA-N 425.493 0.989 30 10 ICEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697770320 SDQOLPATXPGKBV-MRXNPFEDSA-N 430.488 0.994 30 10 ICEE CS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1698320487 HEYBWCCQJVYVNT-YJBOKZPZSA-N 436.469 0.782 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1705598525 LALKNYGTLFLJNX-HOTGVXAUSA-N 427.502 0.058 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCOC2)n1 1722426805 CDCGKWNFORUUAA-QFIPXVFZSA-N 437.504 0.974 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722700711 RGTOPFSVHKNZOE-NVXWUHKLSA-N 431.468 0.670 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722728366 QPJACDZQRBXOEE-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1728754036 FRESXFOAXSEBBI-ZTFGCOKTSA-N 427.527 0.218 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729703034 PKKGRKXVAMQKMX-STGLLQLASA-N 431.497 0.271 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1731008334 MIVOPXJNCBTBAW-AWEZNQCLSA-N 440.913 0.783 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748803363 XZOUZINICRIPQS-OXQOHEQNSA-N 437.566 0.692 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1749953855 LXGRDAXJHNYTCN-WMLDXEAASA-N 445.517 0.384 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1760154780 INOHPZYDYVFPJF-DLBZAZTESA-N 438.554 0.129 30 10 ICEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760179822 NACWIGKVIFLTBV-FQEVSTJZSA-N 434.518 0.875 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760281935 SDUXWCIHDUXBSP-CQSZACIVSA-N 446.620 0.560 30 10 ICEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760365476 ZGRYOXJBKBUHEE-UHFFFAOYSA-N 439.948 0.151 30 10 ICEE Cn1ncc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2255821673 GPDFXSIYDRTARA-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)n1 2267196545 QYXYYSVDAKLAMP-QGZVFWFLSA-N 441.341 0.745 30 10 ICEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267598255 XGRFXLJXUBRCLW-MNOVXSKESA-N 445.251 0.643 30 10 ICEE C=CCn1c(=S)[nH]c2cc(C(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)ccc2c1=O 111063128 NPIOQOSDBCJOSA-OAHLLOKOSA-N 429.502 0.712 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 473162550 GOHFSIPCNQVFOT-OAHLLOKOSA-N 449.533 0.269 30 10 ICEE COc1cc(N2C[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)cc(OC)c1OC 503643866 OJSPOAGLDZLHIF-CQSZACIVSA-N 430.461 0.650 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 532059327 XJPWOEJLFWDRKH-MRXNPFEDSA-N 435.488 0.861 30 10 ICEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 670206939 REDAFZMRCWCJCK-GOSISDBHSA-N 435.532 0.954 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4CCOC[C@H]4C3)nnc12 680458640 UPVFGQDKUIHTBB-OAHLLOKOSA-N 440.529 0.865 30 10 ICEE C#CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 733202790 XJWSBOONCWUHDK-BSBNDGSWSA-N 434.543 0.826 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C 838648566 LCBMKNVNGNEBCP-HNNXBMFYSA-N 437.525 0.595 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)CC1 1286492921 KXSBUIPALSNWJV-SFHVURJKSA-N 448.593 0.242 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1300465099 KWFNTZHCVNPQTI-GOSISDBHSA-N 438.598 0.945 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Br)CC1 1300700639 UAAGHBXLIBNCQF-AWEZNQCLSA-N 428.356 0.844 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1301402370 GIUSGQKNLICEHQ-CVEARBPZSA-N 427.527 0.205 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1301587940 AXDBWVFNUWEGPF-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358956054 ZBXQYCOPOCGMQA-MSOLQXFVSA-N 448.593 0.625 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358966016 GKPQTIYMHGPFEP-BRWVUGGUSA-N 435.550 0.452 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1359010462 QKZSNILEXRTTNZ-QGZVFWFLSA-N 447.517 0.848 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1359084223 AUZUGDJJLLNNOE-OLZOCXBDSA-N 435.344 0.940 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1359336179 HOAJMVCYVXBCAE-XHSDSOJGSA-N 441.554 0.318 30 10 ICEE N#Cc1cccc(C2(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCOCC2)c1 1437802892 IFHWPFITVWDSHF-QGZVFWFLSA-N 444.513 0.846 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1442992577 NXTCJFAOAUIEJP-BZUAXINKSA-N 444.554 0.188 30 10 ICEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1476224301 YGTAXAWUKPIOIS-UHFFFAOYSA-N 432.499 0.960 30 10 ICEE Cc1cc(C)n(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1492761197 FWVRTKUJALQKSD-SJORKVTESA-N 433.538 0.813 30 10 ICEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1499007572 CYSDMSVHAQUQMU-CQSZACIVSA-N 425.493 0.870 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1503373846 HLZUELHSRUEMTH-HOTGVXAUSA-N 426.433 0.931 30 10 ICEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504820448 MNJPEIKOISEBDS-UHFFFAOYSA-N 441.540 0.791 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508091660 NETNLGPAIDMRRZ-KRWDZBQOSA-N 449.581 0.845 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1512360727 SLIFVFCGPRUGFJ-BBRMVZONSA-N 436.476 0.472 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1521569842 XISPZOCKHTUDMH-KXBFYZLASA-N 435.502 0.832 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539066487 WPHRLBORXSJYDO-MRXNPFEDSA-N 429.525 0.206 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1539179638 QPQFBXDFZVASPH-RTBURBONSA-N 446.577 0.983 30 10 ICEE C#CCN(c1nnc(C)n1C[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539205406 IGOITXGIAKKNBC-IEBWSBKVSA-N 439.607 0.421 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539231923 ZFBKWXNVTAIPFY-KRWDZBQOSA-N 434.566 0.123 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCC)CC1 1540858137 IIHAXLBEPFWLCF-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1554500512 BDPNXABWMNVFAC-CZUORRHYSA-N 438.485 0.835 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)c3cn(C)nc3I)CC2)c1C#N 1585101417 WINWCKLSAVTUAY-UHFFFAOYSA-N 439.261 0.901 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1587975167 QIWUIRCIJNUWIQ-UHFFFAOYSA-N 443.533 0.684 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1588385190 GBJXBSQITLTSIU-KGLIPLIRSA-N 433.481 0.495 30 10 ICEE C#CCN(CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C 1597323612 CTRMYXITSLDFES-MRXNPFEDSA-N 429.539 0.510 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCSCC1 1620385038 KDXRDSIABOIXOF-BMRADRMJSA-N 431.522 0.594 30 10 ICEE C=CCNC(=O)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1632773162 IOPJRDXUEQVORC-HXUWFJFHSA-N 427.498 0.753 30 10 ICEE Cn1nccc1CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1648845380 OUCBRRBCTCPJLW-IBGZPJMESA-N 435.488 0.841 30 10 ICEE Cn1c(N[C@H](CO)c2ccccc2I)c(C#N)c(=O)n(C)c1=O 1652312934 SRHOGNGCPRSYIV-GFCCVEGCSA-N 426.214 0.706 30 10 ICEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1681805861 XXJGRHVDHSARKL-MPGHIAIKSA-N 425.532 0.737 30 10 ICEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690229329 SYQFBXBMZMNDEZ-QWHCGFSZSA-N 439.314 0.228 30 10 ICEE COc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1697529808 AMSMVZBEIARTMH-WMLDXEAASA-N 434.522 0.868 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)CC1 1705639823 XEUFSQCCFHJAJO-OAHLLOKOSA-N 435.579 0.338 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1705661895 LAPGVIVCWXHMQI-AWEZNQCLSA-N 426.568 0.008 30 10 ICEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1711017161 CUQVYXXJMDDVBD-OAHLLOKOSA-N 433.538 0.577 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1722333215 UBKSGPHLCRRVHW-BBWFWOEESA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722372257 SKMNJRUVCDNNKD-KSZLIROESA-N 449.577 0.842 30 10 ICEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722613317 DRJKFTGPLSJPLC-UHFFFAOYSA-N 427.509 0.747 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740600199 IUGDMISYGVJSGX-QWHCGFSZSA-N 438.476 0.221 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740623796 AXXZJCCDNNBKSZ-OXJNMPFZSA-N 435.550 0.596 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCOCC2)CC1 1740701170 WZRDTACPXSGDDQ-AABGKKOBSA-N 432.569 0.478 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740801455 ALPSDTUNCHJFPL-ZIAGYGMSSA-N 446.961 0.468 30 10 ICEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749722619 LHIFPPVDVBSKDD-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1760189476 UTUOLYKSKIHGSM-LSDHHAIUSA-N 425.580 0.999 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1760219451 FLWVRYDKKPCVJO-IBGZPJMESA-N 442.545 0.712 30 10 ICEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C(=O)NC)C1 1760301831 LPNHGMLZYQQXKF-CHWSQXEVSA-N 432.319 0.862 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760698323 GTEGSDJMSVUERJ-MSOLQXFVSA-N 444.584 0.939 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1762694170 RVSIHVCQKGPMIP-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1765921593 GFMNNONSJAIJDX-RVKKMQEKSA-N 425.511 0.094 30 10 ICEE COCCN(CC(=O)N1CCN(Cc2ccc(C#N)cc2F)[C@H](C)C1=O)S(C)(=O)=O 1855019452 PJFWTXWRUYKLPA-CQSZACIVSA-N 440.497 0.165 30 10 ICEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(N3CCNC(=O)C3)C2)[C@H]1c1ccc(C#N)cc1 1892006107 MWWHYSJEOMQZIR-NHCUHLMSSA-N 441.557 0.594 30 10 ICEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2255609356 GFPITZOHLVTXLM-WDEREUQCSA-N 428.220 0.707 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957546 ANWMCRSCPHQHOA-HRCADAONSA-N 438.330 0.859 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 2282840367 MWEGHNQPZFQVEG-LBPRGKRZSA-N 428.320 0.030 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCN(C(=O)[C@H](O)CO)C3)C3CC3)nc2)OC1(C)C 204876087 AJPAOYKZOMZSFC-CRAIPNDOSA-N 446.357 0.336 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478756507 VLGDXQMVNNJXNG-MRXNPFEDSA-N 429.546 0.895 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN([C@H](C(N)=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506636775 QIHIRFRWTBQMJA-FPOVZHCZSA-N 435.532 0.940 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C[C@@H](C)O1 544746781 YGUFKKSQTWFJPS-IYBDPMFKSA-N 434.584 0.372 30 10 ICEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559005345 IBFOJGSDIZTZQT-CQSZACIVSA-N 426.477 0.685 30 10 ICEE Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585469780 CUPPPJMFAQZPQZ-UHFFFAOYSA-N 441.561 0.919 30 10 ICEE CS(=O)(=O)CCCS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 610134518 FOOQOBDEZNNJJJ-UHFFFAOYSA-N 428.492 0.693 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 761039418 WTLFEMIFPQJPQC-UHFFFAOYSA-N 444.561 0.191 30 10 ICEE C#CCN(C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774046475 LMMIXSUYWQZOJH-INIZCTEOSA-N 435.502 0.578 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCOCC1 1286373173 CDVSLCQOFWVPSU-UHFFFAOYSA-N 438.536 0.770 30 10 ICEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1297868339 FRUAFJGSQKECKK-SFHVURJKSA-N 429.502 0.628 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300482763 GXHXTWWMHSGTGY-GJZGRUSLSA-N 431.584 0.358 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1300537369 FYIGVHDQHPJFSU-ACBHZAAOSA-N 449.577 0.889 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)C1 1301556211 GIQRNZCIUCPFBT-ARFHVFGLSA-N 447.533 0.377 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302496104 LSAPWAINNHTKIC-IBGZPJMESA-N 429.506 0.082 30 10 ICEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1308068730 QHAZEXJGUXBLNP-KRWDZBQOSA-N 435.546 0.882 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H]1O 1315110165 ZJGHECBLOFYAJW-QZTJIDSGSA-N 429.477 0.576 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358927963 PETAWQXJCWRMOP-ZWKOTPCHSA-N 427.553 0.776 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359056109 YGDWAEKNCOSMQZ-OAHLLOKOSA-N 440.595 0.361 30 10 ICEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1471104064 UXAAYVZDJABENQ-IFXJQAMLSA-N 426.539 0.372 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCN(CC)CC1 1497084302 AGEFLGXCZIQBCE-LJQANCHMSA-N 446.600 0.953 30 10 ICEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504819039 DPCQEWJYQQSLGL-OAHLLOKOSA-N 448.553 0.518 30 10 ICEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)C1CC1 1505133923 HSMDXKZVUNXYJU-UHFFFAOYSA-N 437.547 0.875 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507844069 BLNHZXGEWXQQLZ-JKSUJKDBSA-N 438.554 0.329 30 10 ICEE CN(CC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554138247 FGNPGQXKRMWFMI-ZSNVJIKNSA-N 427.387 0.754 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 1585000283 VJFYOJGQFNIQTG-UHFFFAOYSA-N 433.306 0.983 30 10 ICEE Cn1cc(I)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1586483159 YROHCIZDOHGUIK-UHFFFAOYSA-N 445.242 0.702 30 10 ICEE C[C@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1586809270 ZJWDQPAIRZIKNU-OAQYLSRUSA-N 448.545 0.920 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1587641279 YVBLBMJTVFLEHX-WBVHZDCISA-N 435.554 0.435 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1588800411 FIESXTGCHRSHMQ-KRWDZBQOSA-N 429.550 0.377 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@]2(CCOC2)C1 1595812167 OQZTWEMKVJMGDK-HXUWFJFHSA-N 433.534 0.860 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccnn2)CC1 1595831517 REFBUOUAKZUOEH-MRXNPFEDSA-N 433.538 0.847 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCCC2)nnc1N1CCS(=O)(=O)CC1 1620384952 JCBYISHWVACVKJ-FBMGVBCBSA-N 434.522 0.697 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 1636475664 REBINNUTDAALKM-UHFFFAOYSA-N 426.926 0.462 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(=O)nc1O 1646146826 CAZJADOCPHEDLQ-ZDUSSCGKSA-N 445.863 0.518 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 1663955639 ZBJWUCYPWCBMQE-UHFFFAOYSA-N 448.314 0.653 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CC1 1668970285 FBYUCYUWQMPQTP-MHZLTWQESA-N 438.453 0.931 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1690246707 WKVJZVZYLKARAM-YCPHGPKFSA-N 426.543 0.196 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1690699360 CXKQWZDCJZIZPD-HZPDHXFCSA-N 426.539 0.503 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@H]1O 1697066421 YCLFOUBSYQLUQY-IAGOWNOFSA-N 447.517 0.612 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1705583506 ZRRZUEXYKLWCQH-QZTJIDSGSA-N 435.550 0.643 30 10 ICEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722484912 LACTXASJJCOWDM-LBPRGKRZSA-N 425.331 0.922 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722704873 YNSVIDKCMRWPKY-OAQYLSRUSA-N 447.540 0.226 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1748077811 GYZAEEVSZDNLFV-UHFFFAOYSA-N 439.520 0.884 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748801546 CNZOZRJFAJTBCV-ZDUSSCGKSA-N 433.481 0.672 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748803452 ZAUXMKUXRJQMOC-GOSISDBHSA-N 442.545 0.893 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1748929870 RJBFMQUFIVOGAS-IKGGRYGDSA-N 425.555 0.886 30 10 ICEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749291898 KKAHEKXGPZCJCA-OALUTQOASA-N 426.539 0.636 30 10 ICEE CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1761329273 HPSQUJKZZIKYCW-LSDHHAIUSA-N 444.583 0.481 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2nc(-c3ccncc3)ccc2=O)CC1 1852557983 VZEFRXDPJQMAJV-UHFFFAOYSA-N 445.483 0.937 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1 2255606617 TWKXBLSKFFEQJZ-NEPJUHHUSA-N 437.306 0.136 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2255607040 VZBNMOYDWIHUSF-YUNKPMOVSA-N 433.318 0.854 30 10 ICEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2337019407 BWNVPKWJJPVPPL-SOLBZPMBSA-N 449.357 0.864 30 10 ICEE C=CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 410074039 JTXARKHLWOYQEO-GOSISDBHSA-N 437.562 0.970 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 509010232 HVWKGLBQUGKIPV-MPGHIAIKSA-N 427.527 0.181 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 512558784 IOKBNSHQKCNWPG-UHFFFAOYSA-N 439.520 0.153 30 10 ICEE Cn1ccnc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)c1=O 540552444 OPUBQSCTCSJHMT-QGZVFWFLSA-N 441.561 0.373 30 10 ICEE COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(CC(N)=O)c1=O 589159303 NJQFQWKMXVLJMT-UHFFFAOYSA-N 449.488 0.798 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCN1CCOCC1 732560904 BWKVNSFZKUACRX-INIZCTEOSA-N 443.573 0.577 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(C3CC3)[C@H](C#N)C1)n2C 732649247 RJGDLHOPZWJYON-MRXNPFEDSA-N 444.561 0.955 30 10 ICEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706684 MKQRBXPZKHPTDT-HNNXBMFYSA-N 447.517 0.273 30 10 ICEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 758182956 UYFSGCFTFHZVQK-IAGOWNOFSA-N 430.571 0.405 30 10 ICEE C#CCn1ccc(CN(CCOC)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)n1 788370591 VLCSTCLVOKYZEW-UHFFFAOYSA-N 447.517 0.781 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286389558 MJIRTPDEOQXOFW-HNNXBMFYSA-N 425.474 0.818 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300491321 GYMKXWDOAHZWFL-MRXNPFEDSA-N 441.579 0.208 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301585264 JSWJAEITRYDHTJ-JKSUJKDBSA-N 433.538 0.007 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1358872770 YSCLYKWCCZKRAA-KBPBESRZSA-N 436.513 0.915 30 10 ICEE C#CCN(c1nnc(C)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358956203 BVYGWCVVZXTUMR-QGZVFWFLSA-N 431.518 0.652 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNS(C)(=O)=O)CC1 1359038673 FEZPDQSZSJZGHP-UHFFFAOYSA-N 448.549 0.170 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359301243 VLOJRKWKJHCJBD-KFWWJZLASA-N 438.554 0.005 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(Br)cnc3n2C)CC1 1455115657 QGSFTHFATMKZMI-UHFFFAOYSA-N 440.323 0.561 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1 1464842464 CPMRYHOPWOEDEC-IBGZPJMESA-N 443.548 0.801 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 1507580391 BSRHULDSQGANPS-UHFFFAOYSA-N 435.492 0.629 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1507719048 LLGBFJVPKLSCQZ-QHCPKHFHSA-N 438.532 0.833 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508159422 NPRSFLUOFVKSBQ-KGLIPLIRSA-N 428.584 0.666 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)C1 1508676229 DJZVAMHFUBZQDD-DXEZIKHYSA-N 448.524 0.929 30 10 ICEE CC(C)(C)OC(=O)CN1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1532302552 UXNOTYCFMBPFKB-UHFFFAOYSA-N 436.534 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540902856 SGERGMXBXNSRPC-CVEARBPZSA-N 446.595 0.786 30 10 ICEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1548270853 SZAPOCYMGNIMAB-LSDHHAIUSA-N 425.497 0.642 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1585138926 OCAVLXQIEPFYTF-SJCJKPOMSA-N 443.934 0.745 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1595569250 CQPNRDPGNNUXNB-UHFFFAOYSA-N 442.499 0.563 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595785303 WMCYSHZXJQSFPS-DOTOQJQBSA-N 430.534 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCCO)CC1 1595788926 KTALMGDLSCLOEW-MRXNPFEDSA-N 425.555 0.819 30 10 ICEE CCOCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1617083316 MKPWLQUZTIEPCV-CRAIPNDOSA-N 444.533 0.870 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 1627035534 UTGUNDJKBKDWTO-UHFFFAOYSA-N 427.490 0.420 30 10 ICEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1630586335 CUZNSZCCAWQEFI-DKRLNXSXSA-N 440.543 0.395 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 1650845895 ABPROHDNRZFSQF-QGZVFWFLSA-N 436.509 0.290 30 10 ICEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689980936 ZSPCJHHIUMEQPD-KRWDZBQOSA-N 445.545 0.941 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690722385 HQJPBVUKATXZAX-INIZCTEOSA-N 437.570 0.436 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1722366756 JPXHRNNMCTVTMG-DLBZAZTESA-N 437.566 0.919 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1726694877 ZBUGKOWUDLTXLZ-VYJDPBSCSA-N 443.508 0.713 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1729613552 CKFJIDLFWMJRJQ-ZIAGYGMSSA-N 441.558 0.122 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740620879 SNCFSPUFOATNIO-INIZCTEOSA-N 436.559 0.925 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1749037501 DGCYMTVRPXZRCQ-HZPDHXFCSA-N 443.595 0.593 30 10 ICEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749424668 NLCQZPWIHRLYFZ-UHFFFAOYSA-N 426.525 0.682 30 10 ICEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1751806169 ISCBGFCTNHLKMH-DLBZAZTESA-N 433.538 0.894 30 10 ICEE CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3ccccc3C#N)c2)CC1 1868131586 XLNSLXXRPYNXOK-UHFFFAOYSA-N 441.513 0.863 30 10 ICEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3cccnc3)[nH]2)CC1 253569218 MBZNFEXWCYQTGD-SRZZPIQSSA-N 445.553 0.407 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 472783607 DAOKAIYCNUKOIS-UHFFFAOYSA-N 442.499 0.537 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@@H]1CCCO1 477313455 FCKRVAYWDVSZEN-KRWDZBQOSA-N 445.516 0.802 30 10 ICEE Cc1ccc(CN(CCO)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 483207716 GNHZIXNQTDHILO-UHFFFAOYSA-N 446.529 0.787 30 10 ICEE Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn(C)c1=O 541958785 CNFSMZVZTWYQFV-UHFFFAOYSA-N 443.485 0.037 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C[C@@H]1CCCO1 542218730 UAFXYLRSIVMYCX-ZDUSSCGKSA-N 448.888 0.899 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 590928045 LJWIZRVMYRPYNF-UHFFFAOYSA-N 432.571 0.333 30 10 ICEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC)c1 743735328 FXUYXEZMUNVGQB-MRXNPFEDSA-N 435.550 0.831 30 10 ICEE C#CCN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@H]1CCS(=O)(=O)C1 751684202 FYOXCTSVXUMSGX-LBPRGKRZSA-N 427.280 0.944 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 805320860 NWLJJXGVUJVFPV-AWEZNQCLSA-N 448.526 0.305 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1221659780 ICPFPJRKUXWQMV-UHFFFAOYSA-N 443.570 0.428 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286390278 ZVPFLRZPTNREGV-HOCLYGCPSA-N 448.936 0.953 30 10 ICEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1CCOc1ccc(F)cc1 1289436189 JOSVINZPWKINJC-IFXJQAMLSA-N 433.465 0.815 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC(=O)N3)CC2)c1C#N 1290577749 RTBQXTNFWLFQPO-MRXNPFEDSA-N 425.541 0.995 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1296330283 RIOBCYZWOALDRF-IAGOWNOFSA-N 443.533 0.613 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1 1301576386 DAVPWSHZLNRMKX-UHFFFAOYSA-N 447.517 0.596 30 10 ICEE Cc1ccc(S(=O)(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1309957107 IBSKMCAJVANTLY-UHFFFAOYSA-N 436.515 0.761 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1359306553 KINJTENDUQXWRU-LPHOPBHVSA-N 444.540 0.364 30 10 ICEE Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1460861792 WYEGKLAPADSOOW-OXQOHEQNSA-N 436.534 0.957 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1471647493 CJBFQOAGPBBBDN-UHFFFAOYSA-N 425.316 0.940 30 10 ICEE CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)CC#N)CC2)sc(C(=O)NC)c1C 1473483783 MCQSAZSPYDOUJB-UHFFFAOYSA-N 435.506 0.589 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)cc2F)CC1 1479522317 NQNFGYGJHLLHDU-UHFFFAOYSA-N 433.303 0.883 30 10 ICEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1504905145 LTVKZVYCOUQQDG-NVXWUHKLSA-N 445.549 0.858 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507632056 IPNGPOOHMASIAE-ULQDDVLXSA-N 434.566 0.340 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCN(C)CC1 1538519393 DBSZVNAFGMBOAF-UHFFFAOYSA-N 446.573 0.709 30 10 ICEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1555686362 NDAKRWWQZKVNTC-KRWDZBQOSA-N 441.492 0.711 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2cccc(I)c2)c1=O 1559440442 JHJNNRGUHYJUCD-UHFFFAOYSA-N 440.197 0.117 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1588138243 ATQRNZSJGLSJIR-OALUTQOASA-N 448.593 0.558 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1595798632 RLJDLLUJMQNGTH-INIZCTEOSA-N 440.570 0.972 30 10 ICEE CNC(=O)NC[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1620525846 VAWWMWCPVGZHPD-RTBURBONSA-N 432.500 0.164 30 10 ICEE N#CCC(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CC1 1622395669 GMOFVZGJKFCTAO-GOSISDBHSA-N 427.505 0.344 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)CC1 1624276341 MJWRQQTTWVGLBP-SFHVURJKSA-N 449.533 0.222 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1643372507 ONKBYRFVJBIMLJ-IBGZPJMESA-N 448.545 0.790 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CC1 1644281839 NKCSGOSQHRVFLR-UHFFFAOYSA-N 430.534 0.925 30 10 ICEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OC 1663037428 HCQJALKCAMHMCU-LLVKDONJSA-N 439.259 0.710 30 10 ICEE CN1CCN(Cc2cccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)c2)CC1 1668344151 AIAVHWGIDUCUEI-UHFFFAOYSA-N 425.493 0.067 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1689892683 LDULXINGGSOJTE-HOTGVXAUSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689978349 TYDLJVBFCCKGBN-DLBZAZTESA-N 436.582 0.383 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690485020 JKTCFNRTHRRKJY-ZACQAIPSSA-N 443.570 0.817 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690654962 BKLASAVUKYWWCL-UHFFFAOYSA-N 433.557 0.363 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1690732200 XITYXGSRHPPGNY-GJZGRUSLSA-N 432.568 0.172 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494741 YZDZOGGXGUMBLY-JFIYKMOQSA-N 428.468 0.994 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564366 BWVLBUJVWRZWIJ-SJORKVTESA-N 437.566 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCO2)CC1 1722450024 UMSNKICQUMGQRO-GOSISDBHSA-N 428.537 0.935 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748817351 JMOQTAHDZOGBBC-IAGOWNOFSA-N 442.607 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818258 YJIDJBNJHAUBHQ-HZPDHXFCSA-N 444.579 0.232 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1748896634 IYCVJLMHMREEDO-SFHVURJKSA-N 444.499 0.968 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCOCC2)CC1 1748994773 QMXJYXRZACINOF-UHFFFAOYSA-N 429.569 0.267 30 10 ICEE COCC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749248039 OWMGLTLWALLITB-CZIZESTLSA-N 443.508 0.367 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760143946 YDTLYSBCRHZFKY-UHFFFAOYSA-N 429.525 0.502 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1760195125 WZXIMDRJQCEUHH-MRXNPFEDSA-N 438.517 0.590 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)Cc1ccon1 1760200824 CSOCJBYWYFLDAP-UHFFFAOYSA-N 427.490 0.464 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1760248576 CGNOHHWLGZRCMH-QGZVFWFLSA-N 439.582 0.377 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760523191 PCAOJIRRVJEWSI-MRXNPFEDSA-N 426.525 0.727 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760554096 RFKMGKOQPHHDEJ-BEFAXECRSA-N 434.522 0.720 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1760695409 GWZXRBACMFGKSN-HZSPNIEDSA-N 448.496 0.631 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255628839 NSENOURFLYBURR-CYBMUJFWSA-N 436.318 0.763 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2310482157 GLCRYFGFEAHLEH-UAFMIMERSA-N 444.532 0.954 30 10 ICEE Cn1nnc(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 2312856558 ZXAOZCXKNGDPGN-RWMBFGLXSA-N 433.318 0.852 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32CO)[C@@H]1C 299817640 LYJKREGDQDJIDC-XNXLVJGUSA-N 433.457 0.485 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1=O 505900599 GMTIIWBMLPUFJF-CQSZACIVSA-N 426.408 0.492 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 533579550 QHQBXVZVUNGYGE-UHFFFAOYSA-N 443.573 0.577 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)nc1 551307143 AJQHNEJHBOCKGV-UHFFFAOYSA-N 427.486 0.192 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 685550892 OPLHVYZKHXKVSP-MJBXVCDLSA-N 435.572 0.055 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1286325569 ZICNUQGKEAENLO-JKSUJKDBSA-N 440.570 0.233 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1286388081 XUBOYMOZUUZZOC-QGZVFWFLSA-N 443.533 0.791 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1286488768 SWZOEKKSCGDICD-UHFFFAOYSA-N 430.534 0.442 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300513535 XOJZOCSKLDMHDO-YLJYHZDGSA-N 435.550 0.427 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301475318 QFZUXJKHNRSCFU-UHFFFAOYSA-N 435.529 0.776 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1303824081 UNYIFHAGMASKPT-ORAYPTAESA-N 435.554 0.639 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359028207 KQBFXVZFJICHBI-INIZCTEOSA-N 436.582 0.386 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1493177197 AZNZWZHBPXLJAH-STGLLQLASA-N 436.476 0.533 30 10 ICEE COC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504674527 ZHZHYDOQLHIKBP-KIJUOZEOSA-N 445.524 0.806 30 10 ICEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507562950 BRERRIMRXKRRLY-MRXNPFEDSA-N 442.524 0.052 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCC(=O)NC2CC2)CC1 1507739157 NRJUUOJKOBRWKQ-KRWDZBQOSA-N 428.537 0.807 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 1507902984 QQEQOAHDKBLBNF-SJORKVTESA-N 441.554 0.429 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1508075393 XZOFUKLRAMGGCP-UHFFFAOYSA-N 430.465 0.209 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508092694 FRZDNDNLPGADIS-UHFFFAOYSA-N 428.493 0.785 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1508138948 ATMOOOJQLJJLCV-UHFFFAOYSA-N 437.566 0.832 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539443950 BZJJUEGYFNSERT-UHFFFAOYSA-N 425.585 0.460 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nncn2C)CC1 1539470132 YIEZLFHZTYNIJL-HNNXBMFYSA-N 430.513 0.145 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539775676 OCAZJISQPXROND-IUODEOHRSA-N 437.975 0.656 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1541002641 GXIIXMAKHSXNFB-INIZCTEOSA-N 438.536 0.681 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1541115778 FFJFNDLVPLLTJZ-HZPDHXFCSA-N 436.542 0.494 30 10 ICEE C=CCNC(=O)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1595595029 QGUKTPUFFUKAQR-HNAYVOBHSA-N 441.554 0.246 30 10 ICEE CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1613422516 CZQFKJOAPIMAJH-GJZGRUSLSA-N 426.481 0.959 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c1=O 1614708763 PSABPTNSTDFGMR-UHFFFAOYSA-N 426.351 0.131 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1628806209 PDWVELOZDQNELR-UHFFFAOYSA-N 439.310 0.606 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cn2cc(C=O)c(-c3ccc(OC)cc3)n2)CC1 1632624542 SXCSHXCAUGIPRZ-UHFFFAOYSA-N 437.500 0.655 30 10 ICEE N#Cc1ccc(Cn2cc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cn2)cc1 1636093799 YMAIPCCFMJZKCQ-FUHWJXTLSA-N 427.486 0.777 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COC)C1 1690699145 AAGBGLUXYWZKCD-ZACQAIPSSA-N 443.570 0.675 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705558773 HLWOHUAVDPFDQX-QGZVFWFLSA-N 445.545 0.991 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1722295522 LCNOKJUCZKATOV-RDTXWAMCSA-N 447.517 0.846 30 10 ICEE COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730730757 NHCFODZRNRYOIF-QGZVFWFLSA-N 440.508 0.342 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740639670 ULFZVZHLGRJHEO-HXUWFJFHSA-N 446.559 0.887 30 10 ICEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1743385531 HWQIUNOXZJCQCN-QRQCRPRQSA-N 440.504 0.970 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1748717927 LXKQYFXPMXOAHO-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748751849 NIOZGPHDCPMNTI-SFHVURJKSA-N 448.593 0.338 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748819098 KMRYBSJOSIOHNE-RXVVDRJESA-N 448.520 0.786 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC)C1CC1 1749519731 QWEVKRKKOPQRRO-OAHLLOKOSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749683594 YTHCCQOEJLEHIL-IVSAIRAKSA-N 434.497 0.239 30 10 ICEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750104782 LGRHMNRCUITXAL-INIZCTEOSA-N 427.465 0.427 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1760185699 BJBPUTPEGIFRLT-QGZVFWFLSA-N 435.554 0.277 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760275503 YSJHNJQVPMVFDR-KGLIPLIRSA-N 449.624 0.268 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1760565856 GDUAJPLYEHZJOK-GJZGRUSLSA-N 442.567 0.259 30 10 ICEE C=C(C)CN1CCN(C(=O)c2nc(S(C)(=O)=O)ncc2Br)C(=O)[C@H]1C 1854735372 HIXYHDFFWMDQED-SNVBAGLBSA-N 431.312 0.892 30 10 ICEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(N3CCNC(=O)C3)C2)[C@@H]1c1ccc(C#N)cc1 1892006106 MWWHYSJEOMQZIR-LEWJYISDSA-N 441.557 0.594 30 10 ICEE C=CCN1C(=O)NC(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 2297639490 WKPCSJXDLQLYHI-AWEZNQCLSA-N 428.445 0.691 30 10 ICEE COc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1[N+](=O)[O-] 252631008 VGRHKBLCWMRLDF-UHFFFAOYSA-N 444.452 0.908 30 10 ICEE COCCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 470244129 USJCMVNZYMEZBO-UHFFFAOYSA-N 448.545 0.666 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 478068735 SRGDFWHWGVGBNC-GIMINZRKSA-N 440.456 0.801 30 10 ICEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n1 513173633 XSCIZHHLDNXODU-UHFFFAOYSA-N 438.423 0.857 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 560726074 IQOCRDGGUFRHKW-MRXNPFEDSA-N 428.536 0.375 30 10 ICEE O=C(NN1CCOCC1)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673740 QUKLACDJUHUNSX-QHYCYFEBSA-N 435.440 0.998 30 10 ICEE CC(=O)N1CC(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 788349950 ALMOZJCKUHHGED-GOSISDBHSA-N 432.502 0.987 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 790105177 RFYVRMAWOVNNBA-HNNXBMFYSA-N 436.538 0.209 30 10 ICEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O 795492770 DAIIEPPRFNBPJE-GJZGRUSLSA-N 427.504 0.283 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1F 803419431 QUNXKIGMWOSPRY-CQSZACIVSA-N 433.527 0.786 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)C2)C1 1156513629 UHDOEURVMIOIAJ-PXOVXUKWSA-N 431.493 0.974 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CCO1 1181281564 FPVCGSMPJUTUAV-AWEZNQCLSA-N 429.520 0.328 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)C2=O)cc1 1248376016 RGKWMPXLFQSLJN-CNNODRBYSA-N 427.505 0.184 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)CC1 1286480625 NYVHNENSYRYFBY-HZPDHXFCSA-N 442.611 0.118 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1286710976 GJVBPDPHDYJDDK-OAHLLOKOSA-N 426.543 0.234 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1300578261 KDENQHBUKNVAQR-ROUUACIJSA-N 435.550 0.499 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CCC)CC1 1300728902 JFWUWPKCZQBNIX-QFIPXVFZSA-N 430.553 0.917 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1301952479 KDNASDNBNIMBGV-BZUAXINKSA-N 449.585 0.887 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 1303805012 BGJDOSFTXDFDIF-CVEARBPZSA-N 440.618 0.653 30 10 ICEE C[C@@H]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1304965820 CLUSFDCELRPOID-QZWWFDLISA-N 438.554 0.776 30 10 ICEE Cn1ncc(I)c1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1352235107 YIFPLKCYDBOJNR-UHFFFAOYSA-N 427.206 0.708 30 10 ICEE Cc1c(Br)cccc1C[C@@H](CO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1475300223 BAONOVBMSZGQPX-HIFRSBDPSA-N 432.340 0.967 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)CC1 1521423930 YKUROGPDWQPHMV-HFUDNHEJSA-N 434.522 0.267 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1539481232 IYSHIEGCTRFZMR-PGRDOPGGSA-N 430.553 0.205 30 10 ICEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1547731663 UOGPMLAIYBDRIV-GOSISDBHSA-N 425.541 0.882 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](C)(C#N)C3)CC2)cc1OC 1560017591 NSPHFAVCVBSDBU-HXUWFJFHSA-N 436.534 0.772 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595544470 IRMUGRPUJYNGDI-UHFFFAOYSA-N 429.525 0.165 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1633089124 ONWTWNREUFSIGC-YDHLFZDLSA-N 427.548 0.832 30 10 ICEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCOCC1 1665657783 BTXDWWKIZCNPAC-GOSISDBHSA-N 435.550 0.261 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 1667556072 VYLLYACYHYMXKV-INIZCTEOSA-N 433.534 0.669 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1 1667685158 IPDDYJOJBHUJPA-UHFFFAOYSA-N 437.522 0.079 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 1674652140 FPCXDYBZVLDASJ-UHFFFAOYSA-N 433.578 0.488 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)C3CCOCC3)C2=O)cc1 1682226363 HVOLXLNPLFWGRH-GOSISDBHSA-N 434.518 0.552 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690676022 NBBLSXWUINYICW-NRFANRHFSA-N 428.493 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1690714553 OSZONPDWCGIZBT-AWEZNQCLSA-N 448.505 0.526 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCN(CC)CC1 1705542018 WPWPAJFMDJSXAZ-SJORKVTESA-N 425.603 0.231 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1705571576 BHSMMIULSCADTG-NRFANRHFSA-N 430.578 0.697 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1705628482 IGMLLPVVHPZAKR-HNNXBMFYSA-N 425.555 0.429 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CCN(C)C)CC2)CC1 1705637786 LKCDHJIZEYYSQR-UHFFFAOYSA-N 437.596 0.764 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccs2)CC1 1705647719 IUNXVZGQHYQUIY-HNNXBMFYSA-N 448.574 0.651 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705655546 GRQIPBVAQLCGOJ-HNNXBMFYSA-N 437.533 0.954 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705724934 ZYYZVGQCZRDZRQ-DLBZAZTESA-N 433.557 0.469 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1705897253 IZVNQLMWMWVNJX-ZBFHGGJFSA-N 440.570 0.443 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722368467 RYZUKUFTXFTCTP-JKSUJKDBSA-N 438.531 0.448 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)CC1 1722447002 GNMLFFITGVKQON-KRWDZBQOSA-N 449.577 0.451 30 10 ICEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1722539040 DUXCZBMKOSGSFU-OAHLLOKOSA-N 439.563 0.837 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727236568 GFHTXXFFHBOWJB-DXQAYGFFSA-N 445.524 0.948 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC=CCO2)C1 1731012100 BVSTWJNYVVQDHT-DLBZAZTESA-N 436.538 0.696 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1740699927 ZFSJAYSOIJPMDJ-UHFFFAOYSA-N 428.518 0.529 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](F)COC)CC1 1740705758 LZLLBBUJRHQCRL-HZPDHXFCSA-N 441.529 0.131 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740885982 SMIMKWMBTZPYJD-YCRPNKLZSA-N 445.524 0.636 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)CC 1748853038 SKVAKFKSRLPUCE-UHFFFAOYSA-N 425.518 0.529 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 1748971044 BFPFHSQPAXZTNE-UHFFFAOYSA-N 429.569 0.963 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1749650531 ASPWUUORIREQRO-JVPBZIDWSA-N 438.554 0.197 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749671077 YPKPRAHQVLJJQI-STQMWFEESA-N 429.447 0.604 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749676483 RUBAMXPDOPBYKP-UHFFFAOYSA-N 449.519 0.691 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1760176157 ZYIPTWXQWROHCX-QGZVFWFLSA-N 438.598 0.945 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1760193869 UJWCNPUVLGKGSV-UHFFFAOYSA-N 426.502 0.966 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C(C)=O)CC1 1760222211 BBWQASFDWIDKLL-SFTDATJTSA-N 442.564 0.629 30 10 ICEE COCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1769372417 CPSDBAAGVQEJHS-MEDUHNTESA-N 443.530 0.981 30 10 ICEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1770288566 LKSANWCITNOGDL-IRXDYDNUSA-N 439.476 0.942 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)C1 1771564337 GFDPBESCQPOVHD-MSUUIHNZSA-N 435.435 0.772 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCONC(=O)OC(C)(C)C 2247931078 WLKJZMWDNYMMLI-UHFFFAOYSA-N 425.295 0.691 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2258306834 PJRNIDFRHDJIPF-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE C=C(Br)CS(=O)(=O)N1CCNC(=O)[C@H]1C1CN(C(=O)OC(C)(C)C)C1 2326748856 SFEXZOKFKZNIEU-GFCCVEGCSA-N 438.344 0.892 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418601 UMPSMKFRIFVAOG-UHFFFAOYSA-N 434.477 0.716 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CC)CC1 729670253 OFSFUDNZTARSSF-UHFFFAOYSA-N 436.541 0.245 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 746258278 ARRSLBSJULENLK-MRCUWXFGSA-N 431.537 0.744 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2nnnn2C)C1=O 771546909 YBTYISVDQFGCEA-HNNXBMFYSA-N 430.538 0.452 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)[C@H]1CCS(=O)(=O)C1 774026426 SOTDLYCRZWVQPB-AWEZNQCLSA-N 441.531 0.790 30 10 ICEE COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794582377 VZWOCRFNXLUDKD-HNNXBMFYSA-N 438.509 0.703 30 10 ICEE Cn1c(CCC(=O)N[C@H]2CCN(O)C2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 816694676 LAAWUHGPYYCODW-HNNXBMFYSA-N 449.533 0.787 30 10 ICEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)CC1 1083887355 MBZNFEXWCYQTGD-UHFFFAOYSA-N 445.553 0.407 30 10 ICEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1159589317 ZMVQFZHPFDYTPI-JKSUJKDBSA-N 444.517 0.599 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286388962 DCPFMHSSGHKDGK-SJORKVTESA-N 432.550 0.621 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286409075 IBOAMCQJNKDZFC-CEXWTWQISA-N 447.561 0.665 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1286409229 IZZGXOJRDRSSJA-KRWDZBQOSA-N 441.561 0.814 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286421166 BYNXMDMCHUOBOQ-RXVVDRJESA-N 449.577 0.675 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1286711784 PMRAXYYVSVOHQK-SJORKVTESA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286786707 XQNXLPFLNSHYTJ-MRXNPFEDSA-N 446.533 0.571 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286791232 VKEXYUSSCMMHAP-OAHLLOKOSA-N 445.549 0.677 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286821689 SECPGJJZCRIEIJ-MRXNPFEDSA-N 439.563 0.488 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1300492293 MRWBNMUKBCJHLZ-BEFAXECRSA-N 434.522 0.149 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1301297271 OJWRINGCOQIOHY-PWFNWSNSSA-N 431.584 0.534 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1304271635 ODGROPCAGFDUEY-PFRQMTDMSA-N 433.486 0.155 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1307769015 ATULDDMOCYJLNU-KRWDZBQOSA-N 439.563 0.644 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C 1359113988 VGKROIVVZIHHSO-TXPKVOOTSA-N 443.570 0.553 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1359296381 HPJUVVPPLXNRQD-UHFFFAOYSA-N 443.508 0.726 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1465872057 AEPCAVXNELJFKH-UHFFFAOYSA-N 436.490 0.101 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)C1=O 1471814313 POUMLKDKAFXFRV-SNVBAGLBSA-N 428.371 0.653 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507623273 UJKOMXMTMMSGLU-OAHLLOKOSA-N 448.574 0.954 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1539317642 DJGFTYOAHWKVJS-XMSQKQJNSA-N 442.589 0.900 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC 1540171060 VEHXPOVIESONTL-HNNXBMFYSA-N 440.570 0.562 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1554122074 WTKYOVZQNIYYLR-IWHJNQCMSA-N 445.549 0.869 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1555200638 BKIOUQKFXYTCJW-UHFFFAOYSA-N 447.446 0.493 30 10 ICEE C#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(Br)cc1 1556781668 LJPSUWVWYJPNAG-ZDUSSCGKSA-N 439.291 0.645 30 10 ICEE CCCOc1ccccc1/C=N/Nc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 1565534894 SSSPWAWBWMVYGZ-BFOYEYIUSA-N 443.464 0.255 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1585211732 PICYNVGGWCAEJO-LSDHQDQOSA-N 431.537 0.744 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cc[nH]n2)CC1 1594194546 WXCWMDZAECPQNW-CYBMUJFWSA-N 436.542 0.444 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1595577260 MVAUAYNSZVRWQP-CYBMUJFWSA-N 431.522 0.239 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1595602465 KVVZQYUGEUCIOK-DOTOQJQBSA-N 431.541 0.221 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1Cc1ccc(C#N)o1 1611676302 VXNFLTJQDSEOCD-CXLVCKKSSA-N 434.522 0.998 30 10 ICEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1618521566 OCYCQFMDVGCSJR-QXAKKESOSA-N 444.488 0.636 30 10 ICEE COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1619880743 CPGPUHLZMRLIDG-IBGZPJMESA-N 440.552 0.953 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 1650846317 RDOJXHNXFCYGMN-CQSZACIVSA-N 425.532 0.566 30 10 ICEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1690110726 XNZXNNNIQGCUFV-UHFFFAOYSA-N 437.548 0.594 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566465 OKYQDEXYXKURHY-KSZLIROESA-N 448.593 0.588 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC)CC1 1710898410 BPFZFKVKSCBXGL-UHFFFAOYSA-N 445.549 0.718 30 10 ICEE Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1724970344 GIJGSYYFBDGASE-HOTGVXAUSA-N 436.542 0.555 30 10 ICEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1730901384 XMZWTLJPFFDMHP-UHFFFAOYSA-N 448.549 0.998 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1740602506 NPSYRLFDPHCMSB-UHFFFAOYSA-N 446.533 0.124 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1740623582 WYUAIOYBIPKVIW-IAGOWNOFSA-N 436.582 0.588 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1740887948 NFSZMPXSYRQFFG-LPHOPBHVSA-N 426.539 0.769 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740960499 UABSYVHPQMBLFV-JKSUJKDBSA-N 447.565 0.600 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1740961642 GIDDIQNPZPNGJS-INIZCTEOSA-N 436.520 0.781 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCOC)C1 1740982396 UBAMMNVWYQETDT-MDZRGWNJSA-N 428.555 0.749 30 10 ICEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1747371013 HUKRQKZJVXTAJR-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1748804483 IJIKNEWBHHZSRE-APWZRJJASA-N 426.539 0.593 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748817352 JMOQTAHDZOGBBC-IRXDYDNUSA-N 442.607 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748817353 JMOQTAHDZOGBBC-SJORKVTESA-N 442.607 0.914 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC 1749158740 LKLNNOOHQSPZSO-HNNXBMFYSA-N 428.559 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749729400 IDLDFQFTSNYSIY-CQSZACIVSA-N 427.552 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749732244 TZXKQKZWJKIZNP-MRXNPFEDSA-N 443.595 0.761 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1750075594 GKFYIWINNKPLFY-RBSFLKMASA-N 428.584 0.960 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1760188091 HKPVLPSKJGDYGE-OKZBNKHCSA-N 445.545 0.815 30 10 ICEE CCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764873436 SUCNHOBVPOWRGC-DNTCVELPSA-N 427.509 0.958 30 10 ICEE CCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1767699685 IPEYAPIJJSVGLL-DXQAYGFFSA-N 445.524 0.948 30 10 ICEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1771468392 SLMFONMYINYOCB-CABCVRRESA-N 444.583 0.483 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2=O)CC1=O 1853908444 QFMTYALZAZIFDW-CYBMUJFWSA-N 441.456 0.500 30 10 ICEE CN1C(=CC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C(C)(C)c2ccccc21 2040489121 HNKULXRDESOSCG-UHFFFAOYSA-N 440.544 0.870 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccnc3ccccc13)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 2297638630 MXYYYAAHYYMFPZ-PSFFPDNBSA-N 436.432 0.014 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCc3ccccc3)CC2)c1=O 23853831 YYUZKKHTGFUTTQ-UHFFFAOYSA-N 439.516 0.530 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ncccc4C#N)CC3)nc2)CC1 105358256 WIFWZAVQNQDZGN-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE C=CCn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 505858811 KMHCNPYZUYJMBQ-UHFFFAOYSA-N 425.540 0.906 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 531884472 OHDVGSXETBBDEP-UHFFFAOYSA-N 434.521 0.927 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 537644216 LNWAQJBQHILCKT-UHFFFAOYSA-N 448.542 0.196 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 541290448 LNIZXNZQNWWDMR-UHFFFAOYSA-N 441.538 0.761 30 10 ICEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1 580262042 HFVOHFIHVRZWIC-CQSZACIVSA-N 443.551 0.718 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781654179 SDVXJPTVNYMXOW-UHFFFAOYSA-N 428.514 0.358 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 917768553 QJLSJTQRZCRZQZ-AWEZNQCLSA-N 430.555 0.979 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286385960 RSCYZAXKQHTSDA-HUUCEWRRSA-N 431.584 0.358 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286459245 CGLANGXEILRWQN-FQEVSTJZSA-N 429.502 0.452 30 10 ICEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300394133 MMADIMQRPHGYQN-HNNXBMFYSA-N 438.488 0.523 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CC)c2)CC1 1300710962 QVAARMZSEOMGTQ-UHFFFAOYSA-N 438.536 0.745 30 10 ICEE CC(=O)N1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301706341 WKVDIGLAGLPIFO-FMQUCBEESA-N 427.509 0.816 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1304424217 DOOCFUSYTYNIJW-GOSISDBHSA-N 446.533 0.930 30 10 ICEE COCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1316020197 VXBSUOKPVNXOPZ-FBMGVBCBSA-N 431.497 0.513 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1359296339 FVUYLZKVNVWUQY-UHFFFAOYSA-N 448.505 0.058 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)C2)c(=O)nc1O 1457198843 KIEFAIDMSBYKOU-UHFFFAOYSA-N 448.308 0.663 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1499306925 BVQRZQVXTGVGQG-SHUBJWRZSA-N 438.492 0.525 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1508087882 QMIVXLYRGSZBFH-ZDUSSCGKSA-N 437.460 0.895 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519600037 RSDDMDNADFVLQT-GOSISDBHSA-N 444.565 0.380 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540036645 QLBUYIWZFWBTBT-KXBFYZLASA-N 439.538 0.804 30 10 ICEE COc1cc(NCCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ncn1 1557139709 KFNPNXKKFBEVNT-UHFFFAOYSA-N 432.506 0.922 30 10 ICEE CCOC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(F)(F)F 1583810272 YIIZTDIXPLTEQB-VXGBXAGGSA-N 433.408 0.925 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1587990255 USVSDGHNLYYBHP-UXHICEINSA-N 443.573 0.865 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1588029714 KXCSPLUFVKXVLK-LSDHHAIUSA-N 445.611 0.951 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1588053519 FJYXRSMIEXPFBJ-WMZOPIPTSA-N 449.577 0.858 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1595475154 AYVUGFSYLPJVEQ-CABCVRRESA-N 448.549 0.978 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595517028 MZCVGCARAPZDRW-UHFFFAOYSA-N 445.487 0.706 30 10 ICEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1598295171 GGGGMRNMIHFEMY-ZWKOTPCHSA-N 431.541 0.486 30 10 ICEE COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1619041451 KSNHMXZLXGQCCE-OAHLLOKOSA-N 436.494 0.349 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 1636479971 JEDAODCXWQVCGI-CQSZACIVSA-N 428.308 0.537 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689984103 LHRQZEYKVHTGPI-MSOLQXFVSA-N 438.513 0.722 30 10 ICEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1690058137 PKNDASPYCMPPJO-UHFFFAOYSA-N 438.941 0.870 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC)C2)CC1 1690144005 JBVQDDQULOADHI-AEFFLSMTSA-N 427.553 0.537 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1690518282 CULRKBKCIFZUOM-UHFFFAOYSA-N 448.549 0.676 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1692774007 FMWYDPLXQODMPS-QOKNQOGYSA-N 438.554 0.966 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCOCC1 1692779566 BRDHIBOJZZZQCS-CRAIPNDOSA-N 443.549 0.443 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1696687851 BFKXNXSIQFCCCO-UHFFFAOYSA-N 437.504 0.881 30 10 ICEE COCC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697956275 BFRBTPWNDXLBHY-FKQWUUPDSA-N 443.508 0.618 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1712454383 DPLYVZFQDRSQRS-HNNXBMFYSA-N 438.554 0.953 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1722402723 OVVIYKUJGNFRNW-CQSZACIVSA-N 431.584 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC(C)C)CC1 1722446794 BQTSHIDMYLPGHM-KRWDZBQOSA-N 437.566 0.571 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722732939 SYLSTRVJESJQAX-SUMWQHHRSA-N 430.600 0.770 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740623355 RYERRJDZLBZDHS-DLBZAZTESA-N 445.549 0.451 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC1 1740706494 ZGAAYDABDPXUFZ-FUHWJXTLSA-N 449.577 0.573 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)CC1 1740824834 CQNJILWWFTZAPQ-INIZCTEOSA-N 438.554 0.294 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740950753 GICMLZCERQNMHS-INIZCTEOSA-N 442.524 0.967 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1748811777 LFTZSYFWEFUWFV-SFHVURJKSA-N 440.533 0.728 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185523 YRSIWLFGFMULLZ-WBVHZDCISA-N 442.545 0.882 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1760357462 JNURMEHCPDAVOO-IRXDYDNUSA-N 425.555 0.294 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1761448190 UANYTQVVTRULOQ-OLZOCXBDSA-N 441.535 0.562 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CC(F)(F)F)C(=O)C2)C1 1854320230 DIPGNJRCHZBBLB-CQSZACIVSA-N 444.435 0.944 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cccc(C(F)(F)F)c3)C(=O)C2)C1 1856830960 VQOXWDKRUVONHY-HNNXBMFYSA-N 444.435 0.917 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Br)cc1 1865722788 ZTLZTCFYJOPVCB-GFCCVEGCSA-N 447.289 0.843 30 10 ICEE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(N)=S)c(OC)c3c(c2OC)OCO3)C1 254288121 BLNXHKOIXRMBPO-VIFPVBQESA-N 438.462 0.850 30 10 ICEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C[C@@H](C)O1 503630569 WHRKIHBNVFELDX-IYBDPMFKSA-N 434.518 0.683 30 10 ICEE CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2)c1=O 555737043 QXYRCZGTLTXUMO-UHFFFAOYSA-N 449.529 0.470 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COCCO3)n2Cc2cccs2)CC1 579330219 FVXQRDOLZLQVLK-KRWDZBQOSA-N 432.550 0.900 30 10 ICEE N#Cc1cc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)ccc1OC(F)(F)F 619683526 DOFIQVPTZXWMGV-UHFFFAOYSA-N 434.396 0.937 30 10 ICEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 729331427 CSAPKALZDXBKGI-HOTGVXAUSA-N 430.482 0.724 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3ccc(C#N)cc3)ncnc1-2 729491530 JQDOTFIAHFBWSR-UHFFFAOYSA-N 436.295 0.761 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767147916 GIIIIYHOBBGYBL-TZZKBKQISA-N 437.500 0.618 30 10 ICEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1152001831 PMMOBFYBMFUXJE-RDTXWAMCSA-N 437.518 0.980 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](O)C1 1152293813 BAXWRHWOGKPADK-SJORKVTESA-N 437.518 0.960 30 10 ICEE C#CCN1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1154966040 CBVWQJFELLRQFA-XMTFNYHQSA-N 439.578 0.870 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1286394208 HTIJARRJYJSPQT-INIZCTEOSA-N 437.591 0.946 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1286467985 XYOYHPUCBAUIDN-QZTJIDSGSA-N 439.582 0.235 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286793955 QQIMGIYCFQPLNK-LESCRADOSA-N 447.540 0.345 30 10 ICEE C=CC1(CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1293902274 BWKAPRCAKLLHSM-QGZVFWFLSA-N 436.553 0.849 30 10 ICEE CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1295069631 GTIJAHLIUGITPC-INIZCTEOSA-N 437.508 0.301 30 10 ICEE CO[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1299816891 FNMYNRORRHUDED-KUHUBIRLSA-N 432.506 0.804 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1300410498 NWTNUGWOMFNPFQ-KRWDZBQOSA-N 435.554 0.703 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1300557065 PHKJSBIGRWNEQV-GFCCVEGCSA-N 434.444 0.030 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CCO1 1316537861 FUWVIUGWGZXEEF-QWHCGFSZSA-N 435.286 0.617 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1438604614 YEJCYFQMYBGNCB-UHFFFAOYSA-N 438.506 0.302 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1502443931 BWEVYPJIZIMXPH-JOCHJYFZSA-N 438.536 0.735 30 10 ICEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507557920 OPJNLPNAGBZTOG-QGZVFWFLSA-N 437.460 0.804 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1516021771 BFVHZNRCABQKNO-QGZVFWFLSA-N 445.549 0.813 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1521128594 FCQLFZQYJRYEJH-HOTGVXAUSA-N 432.506 0.489 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1539462935 QDVMRKZULUJOJS-VQTJNVASSA-N 443.596 0.828 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)CCOC)CC1 1539477516 PDVQCSRXIREXIU-NRFANRHFSA-N 429.525 0.432 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N2CCOCC2)CC1 1539481300 KSNYESSPSPIQOE-SFHVURJKSA-N 444.536 0.344 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1540901451 DRMZDHVQVGFBPH-LBPRGKRZSA-N 441.945 0.853 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1540908045 AYFPGSPZALHZGW-KXBFYZLASA-N 441.554 0.198 30 10 ICEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1541864762 BWYLPJGJOFGGCM-FUHWJXTLSA-N 439.520 0.761 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1588084775 WQTPFAXTNHESHA-HNNXBMFYSA-N 438.554 0.828 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCN(C)C)CC1 1588930288 RTTYUNBPXBCMQZ-LJQANCHMSA-N 432.569 0.716 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1589442892 FSTHIYCOYWGUEW-GFCCVEGCSA-N 427.303 0.260 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1595595722 YNNJAJUOIBIGOY-GOSISDBHSA-N 447.584 0.640 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccn(C)n1 1618439192 HQCIOVZALRKSKT-AWEZNQCLSA-N 432.506 0.772 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1620076260 YIXRHHURIONYMZ-LJQANCHMSA-N 428.493 0.821 30 10 ICEE C#CCN(CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)OC(C)(C)C 1624608054 KRKPKFINKYSCCV-UHFFFAOYSA-N 436.534 0.853 30 10 ICEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1637231831 ADIRRQBEMCTXKQ-NDEPHWFRSA-N 441.579 0.538 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1CS(N)(=O)=O 1648473831 RVKIUFACKJWASW-AYBZRNKSSA-N 437.541 0.391 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2cccnc2)c1 1648715965 NWFJORLNURDJIB-MSOLQXFVSA-N 431.470 0.388 30 10 ICEE CC(=O)NCCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)C(=O)OC(C)(C)C 1654109314 FRBLPSJZMKIRGS-MJGOQNOKSA-N 437.585 0.847 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 1668811536 BQRSMEXSDWOQKU-ZDUSSCGKSA-N 428.486 0.699 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1689892685 LDULXINGGSOJTE-JKSUJKDBSA-N 438.554 0.081 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)CC1 1690122589 WGUZDONIADZDGY-HNNXBMFYSA-N 427.534 0.476 30 10 ICEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1690165597 DBROTLAUSOIFCC-KRWDZBQOSA-N 429.502 0.991 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690484778 DEBHFNUQJHGTSW-HUUCEWRRSA-N 426.543 0.244 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1690659077 JBQRYXGBBQYACH-UHFFFAOYSA-N 431.541 0.700 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1690865993 FRPYQQSLUDPPIX-NRFANRHFSA-N 430.557 0.710 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)CC1 1705768909 CTMSKSRTBILRDD-MRXNPFEDSA-N 441.554 0.309 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705901640 ROQVMLPWRYKZSU-HNNXBMFYSA-N 443.508 0.661 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1740657468 SNKUSVKCFLRWEK-SFHVURJKSA-N 449.577 0.891 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1740887947 NFSZMPXSYRQFFG-APWZRJJASA-N 426.539 0.769 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(C)(=O)=O 1747186314 LMJBQKKVDMIAAK-UHFFFAOYSA-N 448.553 0.347 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1748260461 LKNMINXPCXRIHM-KIJUOZEOSA-N 431.497 0.618 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748803360 XZOUZINICRIPQS-JXFKEZNVSA-N 437.566 0.692 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1748817068 DNBNWMGKKGYEAN-MSOLQXFVSA-N 439.582 0.377 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1748824823 JGUHOINWBJULPX-UHFFFAOYSA-N 433.516 0.867 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749954899 RCRUIWLOEHVHJE-IIDMSEBBSA-N 444.533 0.726 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1760232715 CLYSBWSUWDMBQO-OALUTQOASA-N 436.626 0.913 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCC)CC1 1760255573 KYAPZBQEWBTFNX-UHFFFAOYSA-N 446.577 0.987 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)CC1=O 1856641185 FJZAOVZQDWVARC-ZDUSSCGKSA-N 442.444 0.635 30 10 ICEE C=CCN1C(N)=C(C(=O)OC)[C@@]2(C(=O)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21 20220485 FOBNQGHAMYLEGI-JOCHJYFZSA-N 442.424 0.821 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@H]1CCCO1 519930947 VXMJWSAKTGPAIK-CQSZACIVSA-N 435.452 0.939 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 568550016 ZXYVYGUMJDULBF-OAQYLSRUSA-N 429.565 0.998 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc1 603801146 YTVAQPVRNUPWKD-SFHVURJKSA-N 439.537 0.759 30 10 ICEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC1 732937988 SYKXNUJUHYSAGW-SJLPKXTDSA-N 433.490 0.947 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 790232970 HEYSTVOKNKMNDX-VBKZILBWSA-N 447.517 0.340 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 917770092 WEHGWWZAFUPUSE-UHFFFAOYSA-N 443.573 0.321 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1116469451 CHNVYXABCDXMTC-VHEBQXMUSA-N 442.501 0.317 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1152972285 CHEYOIOYWHRHDH-LSDHHAIUSA-N 428.555 0.538 30 10 ICEE N#Cc1cn(CCC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c(=O)nc1O 1154171222 FZBKHEASVQOQEI-ZDUSSCGKSA-N 435.278 0.941 30 10 ICEE C#CCC1(O)CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1248620825 XPSQITFPCDSHBN-INIZCTEOSA-N 443.566 0.970 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1265186744 CZRCWVGLUGIFNC-GOSISDBHSA-N 437.518 0.780 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286824053 URPWCKMCOFPKHK-INIZCTEOSA-N 449.537 0.381 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@]1(O)CCS(=O)(=O)C1 1300788390 YPJAKHRYLUXZHU-ATZDWAIDSA-N 426.539 0.544 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=CCCN(C(=O)OC(C)(C)C)CC2)CC1 1302923712 DBCJHNNPHCUNQO-UHFFFAOYSA-N 426.539 0.556 30 10 ICEE N#C[C@@]12CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C[C@H]1CS(=O)(=O)C2 1304002788 XIANZMLLUYKMTO-GUYCJALGSA-N 443.572 0.472 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cs1 1304675763 LGDXNNPQHLJXSA-OAHLLOKOSA-N 439.567 0.690 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318798758 DTVSJVSVPNSLOM-ISLYRVAYSA-N 436.465 0.525 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 1326566666 HZBRPKAPPJDDRB-UHFFFAOYSA-N 428.470 0.558 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3c(c2)NC(=O)CN3C)c1 1355984348 QHNUJRRLKMZOLT-UHFFFAOYSA-N 433.468 0.957 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955082 DKBMQRGRLBKDJR-BBWFWOEESA-N 437.566 0.858 30 10 ICEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1359034530 UNPDLBWDQGDEII-UHFFFAOYSA-N 441.561 0.741 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359384728 HBLPWUMPFFSEID-UHFFFAOYSA-N 437.504 0.767 30 10 ICEE COC1(c2cnnn2C)CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1455380096 KOJUZPPGUNFEGD-HNNXBMFYSA-N 446.533 0.652 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1 1479315050 YXVOJPLGSBRGGC-CQSZACIVSA-N 425.477 0.244 30 10 ICEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1502337390 HLKCFKCXYNDZMD-QZTJIDSGSA-N 432.573 0.419 30 10 ICEE CN(C)C(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1503354364 HFPZSNUJOSWGDG-INIZCTEOSA-N 429.525 0.891 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507799914 YKAIFBIPHJGOLO-CRAIPNDOSA-N 430.513 0.034 30 10 ICEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1508094627 HVNVRIUFKFZYGG-UHFFFAOYSA-N 439.564 0.782 30 10 ICEE CCN(CC)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1515475627 DVTGTSKCMXWDIH-HZPDHXFCSA-N 438.554 0.558 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 1539647858 YSNOMXBSQICLHH-IERDGZPVSA-N 446.552 0.852 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc(Br)ccc1=O 1544634951 CLWYYWCMPPSUKS-UHFFFAOYSA-N 439.291 0.466 30 10 ICEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1548322412 MHJORIGAJNZUJA-CALCHBBNSA-N 433.490 0.725 30 10 ICEE N#C[C@@]12CN(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1565274049 RAOYGFFRNBYINT-FPOVZHCZSA-N 446.573 0.983 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1588064505 JFRAKHPPUYISHZ-CEXWTWQISA-N 445.545 0.431 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1595536479 BLFVBVQWXCKEAK-IBGZPJMESA-N 431.585 0.689 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)ccc1F 1607280093 UXNNLPHNBGKQAL-CHWSQXEVSA-N 428.438 0.324 30 10 ICEE CN(C)C(=O)Cn1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1640946892 CXGFRGTXEVNBAT-UHFFFAOYSA-N 433.476 0.590 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1 1650846310 QZKXJJHDYHHMNN-UHFFFAOYSA-N 427.530 0.895 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn2cc(Br)cnc12 1660939984 JHRZEMDTXWKGJT-LLVKDONJSA-N 435.325 0.856 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)CC1 1671489497 ZGVHPLPWDXQSCH-UHFFFAOYSA-N 425.442 0.399 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689980663 VXOHUBQDTMAQGJ-IAGOWNOFSA-N 440.566 0.934 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 1690597230 NAZUAIVWXZBYJM-APWZRJJASA-N 441.554 0.595 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690722267 CMDIEEBALWYESY-AEFFLSMTSA-N 447.565 0.493 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1705481254 CCIDRDVVMZBGGL-CQSZACIVSA-N 428.522 0.830 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705568246 JRDAQPXFPSWUNG-MRXNPFEDSA-N 445.549 0.117 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1705571606 CRBUNNQCOBWARO-INIZCTEOSA-N 444.579 0.266 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1722389583 KAUQLBIANUVTAJ-DLBZAZTESA-N 429.550 0.810 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1722403110 VCVVPKOCOIVVTR-CQSZACIVSA-N 430.534 0.682 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCC(=O)NC 1722694964 NMYVFTDNGVQGOL-UHFFFAOYSA-N 428.493 0.981 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722697338 ICUYPQMWJNCUMK-UHFFFAOYSA-N 426.525 0.924 30 10 ICEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722733899 QHOIAYKIYHKBAS-QGZVFWFLSA-N 437.529 0.883 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723580209 WZWVHHGYSBULJN-HFUDNHEJSA-N 445.524 0.946 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1724009167 BZEWLIGKYZGCFK-YJBOKZPZSA-N 438.554 0.656 30 10 ICEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729917705 DTAVQFGYVXDSQX-HUOLPKJOSA-N 443.508 0.761 30 10 ICEE COC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730566191 YRKSNERLVMAPGU-KIJUOZEOSA-N 443.508 0.513 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740624557 JRHMHXAVUQDLDN-KRWDZBQOSA-N 432.550 0.803 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740951283 UBNUCHKICVCWJE-UHFFFAOYSA-N 425.493 0.552 30 10 ICEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1748710007 DBNAQBYUHWYVGL-UHFFFAOYSA-N 434.522 0.891 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748817405 KHHUTTLFSFAHTC-SJORKVTESA-N 437.566 0.571 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1748962201 CCDSLUHLQYQLFQ-JKSUJKDBSA-N 444.579 0.234 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CN(C)C2=O)CC1 1748994415 GJQRBZUVIHFEPH-NRFANRHFSA-N 441.561 0.503 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1749022244 HOBOPRGBIRORDA-KBPBESRZSA-N 438.583 0.725 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1751982553 JMTDCBQGCMMKHT-YESIBHTGSA-N 443.508 0.713 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCOCC1 1760105010 KWVJHIXJYWZDNO-OAHLLOKOSA-N 435.492 0.661 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760145089 HZHVXJLXGDWJQP-CABCVRRESA-N 431.584 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2noc(CC)n2)CC1 1760269291 DRLZYBPUJLLOAH-INIZCTEOSA-N 427.509 0.936 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1761292249 XASMCBHWDVYOMV-KNQAVFIVSA-N 448.568 0.894 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404253 JBQLPMNOHOBSDS-MNOVXSKESA-N 440.331 0.568 30 10 ICEE Cn1c(=O)c2nc([C@@H]3CCCN(S(=O)(=O)c4cccc(C#N)c4)C3)[nH]c2n(C)c1=O 222492804 XHWOAKCEKAMUQW-CYBMUJFWSA-N 428.474 0.400 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 429040465 IDRBCBZUGOFVHH-NRFANRHFSA-N 429.565 0.907 30 10 ICEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c1 547916509 KGSNKADMWLZHHU-LLVKDONJSA-N 437.293 0.583 30 10 ICEE CC(C)CN(C(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 603935198 NXNXTUSUKCTLSI-KRWDZBQOSA-N 427.548 0.996 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2C1=O 605530129 DDVMZOWXMHPFNG-INIZCTEOSA-N 426.473 0.132 30 10 ICEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccc(C#N)cc1 740202717 GQUBBASMNFYEHY-SFHVURJKSA-N 447.469 0.989 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286481109 RYSVXCSQPZEECT-RTBURBONSA-N 448.593 0.194 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286820788 RTWVRHVZTZQNKY-CVEARBPZSA-N 425.555 0.865 30 10 ICEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1297563355 OZYJQRKCCARRKH-UHFFFAOYSA-N 437.504 0.780 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300394653 VAIDJHNZRZEETQ-IBGZPJMESA-N 435.492 0.676 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)O)CC1 1300695468 BZIMLGJGWVLSNS-UHFFFAOYSA-N 431.566 0.764 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300703708 QFRAHSGGFBNBSB-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301501608 ZKHZEIUGWFEAFT-HNNXBMFYSA-N 440.570 0.335 30 10 ICEE COC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315905280 VONVEKXOMDMADA-ZFDMEJTGSA-N 431.497 0.415 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1358937951 LYJDHHHOJBSPAH-OAHLLOKOSA-N 426.587 0.847 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1470960297 WOEHNMYPBISUJW-QGZVFWFLSA-N 437.518 0.918 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)C1=O 1471814312 POUMLKDKAFXFRV-JTQLQIEISA-N 428.371 0.653 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1474863548 YUUAKGAMQOICKI-HNNXBMFYSA-N 428.532 0.708 30 10 ICEE CNC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1503827377 ZNVZPQYCXPQBNZ-VLGSPTGOSA-N 428.497 0.533 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@@H](C)CC 1507980599 HNNPRPWECHWETB-GJZGRUSLSA-N 428.559 0.538 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1516805307 HHLLGRCKWUYRFS-FQEVSTJZSA-N 428.518 0.968 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1539231153 PHBVNVQJYOYDIP-IAGOWNOFSA-N 439.607 0.805 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1545928618 FRACTJKCKRLGBH-DOTOQJQBSA-N 447.540 0.420 30 10 ICEE Cn1ccnc1[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1 1565455036 QMSIEAAKEKIPGI-HNNXBMFYSA-N 429.387 0.921 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1588181317 REKOAYCUUXOQQG-HOTGVXAUSA-N 441.579 0.176 30 10 ICEE CC(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1608141559 LQUKHFYGGJOQDD-LZICOFPGSA-N 442.524 0.286 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1614974562 GMFGKEHUTUWOBZ-QGZVFWFLSA-N 445.549 0.861 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1cc[nH]n1 1627476112 WOZOKGLBLSRTQT-NEPJUHHUSA-N 445.398 0.563 30 10 ICEE C#CCn1cc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)cn1 1664952759 LETCHSPXBPNUGK-UHFFFAOYSA-N 434.446 0.968 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1689876826 JIMBDMKXEIIXLD-DZGCQCFKSA-N 437.526 0.961 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689987814 CQSZXNIBKQNTOP-SFHVURJKSA-N 434.610 0.808 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988015 HNVWJIOZWWSDPJ-HOLBHBGLSA-N 448.574 0.663 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCOCC1 1692780315 DNUYIIIRFBDUQG-KDOFPFPSSA-N 444.533 0.916 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1694325291 BQYIEDWJXYRRKW-SFHVURJKSA-N 441.533 0.674 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1705582524 CQAFKZVNVSLRSJ-VQIMIIECSA-N 437.591 0.970 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1705612548 IXLIMVFLJRFBHC-ROUUACIJSA-N 438.598 0.802 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C)CC1 1705644497 SEDDBZFJSBLCBA-MRXNPFEDSA-N 438.536 0.841 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705659584 AQOKKOPICFVGTJ-OAHLLOKOSA-N 442.549 0.721 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705828524 PYMNSMFTSRWJGZ-UHFFFAOYSA-N 428.497 0.792 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705938395 XHDOVJRPYTZVCD-SJORKVTESA-N 437.566 0.864 30 10 ICEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H]1OC 1712682334 DRWACLJCPSUVBX-KDURUIRLSA-N 440.504 0.916 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1=O 1729592482 JOYINKKDQIAQBA-HXUWFJFHSA-N 443.533 0.377 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1740685787 MKSCWDYNUNANML-IAGOWNOFSA-N 432.550 0.725 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1741713842 MRSFSSMHVFXYSB-KFKAGJAMSA-N 441.554 0.607 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1743199472 KUDGNCMXIMUMST-ITZAQCPESA-N 438.492 0.477 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1748831098 HCRMXZICLSFKNV-UHFFFAOYSA-N 438.517 0.445 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CC2)CC1 1748994474 IQEULVPTQFWPQZ-SSEXGKCCSA-N 446.602 0.936 30 10 ICEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760352954 CGECDMLDEZXYNB-GOSISDBHSA-N 435.488 0.556 30 10 ICEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1760449639 PNPQNBALSJRBHL-MRXNPFEDSA-N 446.508 0.940 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760470784 CLPMYOZWJHCCCS-KGLIPLIRSA-N 446.599 0.325 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760522842 ZOPVZWWZUBQGQP-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2snnc2C)C1 1760535375 PSMAFYNLYQKDGD-CHWSQXEVSA-N 427.556 0.878 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1772566525 CTMBAPMOSJIBKP-GJZGRUSLSA-N 444.565 0.871 30 10 ICEE Cn1cc(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 2255653293 GZEAOUAIBKKMGZ-ZIAGYGMSSA-N 436.318 0.429 30 10 ICEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)nc1B1OC(C)(C)C(C)(C)O1 2255822793 PRQXFSSCSFSUIJ-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)OCC)CC3)cc2C1=O 9701821 QFWVQGWAJYJGKL-UHFFFAOYSA-N 429.429 0.926 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)CC1 27901507 MNNNMWXZBVQKDQ-UHFFFAOYSA-N 443.592 0.649 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 465374910 NTVSVJWRJUXWCB-FQEVSTJZSA-N 427.549 0.850 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 484540404 HDNPESGSXFOHMN-MRXNPFEDSA-N 442.566 0.562 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 508903791 QJYZBYIIPPOFOR-HZPDHXFCSA-N 434.522 0.850 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 512710234 PGDGLWOKFYICEP-CEXWTWQISA-N 430.549 0.799 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C[C@H]1CCCO1 542218723 UAFXYLRSIVMYCX-CYBMUJFWSA-N 448.888 0.899 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC3)CC1 616972052 QHLOJILPNZWAPN-UTKZUKDTSA-N 435.532 0.521 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(OCCN2CCOCC2)c1 732455330 DWPZOLOIOAMBMR-QZQOTICOSA-N 443.504 0.723 30 10 ICEE C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742506230 MMQJFFHWXTWTHM-HZPDHXFCSA-N 448.545 0.601 30 10 ICEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 814381398 CWYBEZKCQQDWLL-INIZCTEOSA-N 426.564 0.982 30 10 ICEE Cn1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1I 1124723964 GCLZKZXNOWXMBL-UHFFFAOYSA-N 427.206 0.708 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)CC1 1221923546 DWHAVXVKNVSLLW-KRWDZBQOSA-N 449.533 0.671 30 10 ICEE N#C[C@]12CN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)C[C@H]1CS(=O)(=O)C2 1256291834 WPCQOZOOOWXRAT-KBXCAEBGSA-N 438.531 0.670 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCOC2)CC1 1300711356 YVZUBHCKEWZTKD-QGZVFWFLSA-N 428.537 0.907 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1 1300914403 CWQFYLYFENAAAT-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1300989389 APQNGXUBCLZCJV-HZPDHXFCSA-N 426.543 0.800 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301257855 FHHBQZGZZOROIX-DOTOQJQBSA-N 425.555 0.830 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C)C1CC1 1301327861 ZFBMKHSCNUTNSU-QGZVFWFLSA-N 435.554 0.971 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1359002814 NYBUBSNROKOLIU-HXUWFJFHSA-N 433.534 0.806 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1359024788 WAZCHARKHVBBTI-KRWDZBQOSA-N 439.582 0.113 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359028104 HLGTYCYHQYELHA-KDURUIRLSA-N 431.585 0.671 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccs2)CC1 1359047089 QMJRQTIRUVAQGO-UHFFFAOYSA-N 427.534 0.871 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359300198 WERVJNCHAWSVPD-SJORKVTESA-N 442.524 0.250 30 10 ICEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)COCCO1 1360843890 PDXBTAZDBNKHFJ-IIBYNOLFSA-N 426.477 0.846 30 10 ICEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)ccc1OC 1443927595 ODIQWCHIKPIFAF-HUYLIWGRSA-N 441.488 0.916 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CC1 1467813543 AOMNTTWKSHPARA-UHFFFAOYSA-N 432.329 0.904 30 10 ICEE N#CC1(C[C@@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1473262589 BLWWWLZNWMSNCA-QGZVFWFLSA-N 435.550 0.279 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507562885 AZAYVVIWPVTVSL-BBWFWOEESA-N 441.554 0.265 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507633426 DNOCZZANABEJTD-GOSISDBHSA-N 425.518 0.672 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507731161 CBGOGHQSLIHEAT-QZTJIDSGSA-N 436.582 0.209 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1508091888 PLJDCVLDZQAPBD-JKSUJKDBSA-N 444.540 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccn(CC)c2=O)CC1 1539480488 AGZXHPAEVMWMRT-IBGZPJMESA-N 438.532 0.978 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539573895 FUVGMXZVVBEJNS-ZDUSSCGKSA-N 429.319 0.666 30 10 ICEE N#Cc1c(F)cccc1N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1540544239 SKJKNVQJZQYANH-UHFFFAOYSA-N 428.449 0.955 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCO1 1541073583 BFPUHOKBMYVSJM-IBGZPJMESA-N 440.504 0.700 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1587562857 ULMUOVASQCRINU-BBWFWOEESA-N 426.587 0.703 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588055593 XYLLDJVBZMJYGJ-KGLIPLIRSA-N 427.477 0.901 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1588140596 ZAYRKYTZXREMQF-SQNIBIBYSA-N 435.550 0.499 30 10 ICEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616337322 XIEBUSWFFDXHNL-JLEJFLCFSA-N 447.557 0.926 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1621953125 ADDQKTKRGVKDPR-UHFFFAOYSA-N 428.532 0.829 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)c(F)c1 1632031582 KWBDEAUIILJQAZ-UHFFFAOYSA-N 428.449 0.955 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 1632960143 BCSQDQHCSLOURF-AWEZNQCLSA-N 434.584 0.245 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCNC2=O)cc1)c1cc[nH]n1 1635774861 UONBXXRHECWYLL-UHFFFAOYSA-N 428.449 0.535 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1638249411 QPUMWXAPMAPBTG-HZPDHXFCSA-N 442.335 0.165 30 10 ICEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1641796112 XUSZTFCKPMJBRG-UHFFFAOYSA-N 440.522 0.836 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 1643372226 BLRMJHAMIIDANP-UHFFFAOYSA-N 443.407 0.981 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982287 KJKQOAWTGNMLCO-GOSISDBHSA-N 440.529 0.922 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690169431 BNNPXFGAZFNGSD-UHFFFAOYSA-N 437.595 0.905 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705507442 BJWVHAVDQWFRPR-UHFFFAOYSA-N 443.552 0.491 30 10 ICEE CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1711032976 QKIZNHJOQIMKDC-VHLXVWNNSA-N 431.522 0.697 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1722293100 BMWHFJJKOHCTTQ-QYZOEREBSA-N 436.626 0.912 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1722426768 GZKQAGMAZWBTSA-UHFFFAOYSA-N 436.516 0.821 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722728368 QPJACDZQRBXOEE-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CC2(C(N)=O)CCOCC2)cc1 1731184578 FDMPISKJDMCPSY-UHFFFAOYSA-N 426.477 0.847 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740616099 SHZMWYALIBOCJF-CQSZACIVSA-N 431.584 0.142 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCC2)CC1 1740691319 ZFMNIZZMSFVIKQ-KRWDZBQOSA-N 439.582 0.725 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1741131198 DVPTYTOSWNCQRQ-PBHICJAKSA-N 425.493 0.641 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1748929363 IIRUSHPWVBLXQO-QGZVFWFLSA-N 447.565 0.968 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOCC2)CC1 1748994374 FCVDARXJLFLDAZ-UHFFFAOYSA-N 426.569 0.617 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1749170610 QCLZSMPOMWOJLG-AWEZNQCLSA-N 425.559 0.849 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749740249 BJFIYIVILCWOEC-UHFFFAOYSA-N 432.554 0.922 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cs1 1751782942 PRKJKLSAHZUSKY-CQSZACIVSA-N 425.540 0.302 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1760138228 UIYXAOYGZRDDOQ-CVEARBPZSA-N 438.554 0.129 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1760248566 BYEGBLNOHHLNBQ-OAHLLOKOSA-N 437.497 0.879 30 10 ICEE CN(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768520509 QPNLILUSLSQJOM-UHFFFAOYSA-N 437.508 0.792 30 10 ICEE CC(C)(CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O)c1ccccc1 1856845393 DXVZVEDMWYLDRM-SFHVURJKSA-N 432.546 0.953 30 10 ICEE C=C[C@]1(CN)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136331 WINDMHIFMKMOJW-MOPGFXCFSA-N 425.482 0.556 30 10 ICEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)COC1 2255873049 APHKVCWBMQQROX-UHFFFAOYSA-N 434.302 0.799 30 10 ICEE CC(=O)NCc1nnc(SCCCO)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330784160 IZMDERLVNOLGOG-UHFFFAOYSA-N 436.450 0.950 30 10 ICEE Cn1cc(/C=C/C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 28644566 FUVROMVEQXWDEJ-CMDGGOBGSA-N 449.385 0.827 30 10 ICEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@H]2C(=O)N(Cc3ccccn3)C(=O)[C@H]21 247636296 DQILPHMWCROJFO-QLDGJZPUSA-N 434.408 0.697 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN([C@H](C)C(=O)NC4(C#N)CCC4)CC3)C2=O)n(C)n1 469767494 HKXCIYARZJHMLQ-MSOLQXFVSA-N 427.553 0.793 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)o1 471185635 CUNUNSNWTDXBTC-QGZVFWFLSA-N 443.525 0.606 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3cccnc3C#N)CC2)c1 477070857 UBYJXSIMGLLSRC-UHFFFAOYSA-N 446.485 0.882 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 514492249 VXQONASDLNNSMU-RDJZCZTQSA-N 427.526 0.743 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 670197236 HCVUPQBFXDGWNS-OLZOCXBDSA-N 439.460 0.955 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccn(C)n1 819525705 OIDOFBWUSZMDTC-AWEZNQCLSA-N 432.506 0.628 30 10 ICEE N#Cc1c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)[nH]c2ccccc12 1136950832 RACHYVNLQKTPPA-AWEZNQCLSA-N 429.502 0.101 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(S(C)(=O)=O)CC2)s1 1138007861 YZIDLYNGYSJPRJ-UHFFFAOYSA-N 435.593 0.543 30 10 ICEE CCOC(=O)c1c(NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c(C#N)cn1CC 1206508417 HKUQSCURFRZXEY-UHFFFAOYSA-N 432.481 0.759 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286785453 FXFBWIBRVAJXSI-CYBMUJFWSA-N 445.553 0.272 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286789967 JJUIBSKLIKHRLR-KBPBESRZSA-N 443.533 0.287 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1286814212 NGLHFUGXZVXGEC-UHFFFAOYSA-N 440.570 0.322 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1288826348 QWSVNUHTFMJZGV-PRXAMGSTSA-N 427.506 0.245 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(Br)ccc2=O)cc1 1298603512 ZAFRTPHHYBDNMB-UHFFFAOYSA-N 438.303 0.952 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1300402999 HJDFYLHZXPDAHH-UHFFFAOYSA-N 434.522 0.937 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300403495 KADRQKIRDCPNFT-SFHVURJKSA-N 447.565 0.723 30 10 ICEE Cc1ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc1S(=O)(=O)NCC#N 1300437198 XWZKXKTVDIHKOA-UHFFFAOYSA-N 427.426 0.504 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)CC 1300647636 HLSSYFOHZNULHU-QGZVFWFLSA-N 448.524 0.947 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358962140 LACIQLONFCERHX-HUUCEWRRSA-N 449.533 0.915 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359331682 GCLDWZMHUADLKM-UHFFFAOYSA-N 438.598 0.747 30 10 ICEE N#Cc1ccc(OCC(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)cc1Br 1438659920 SBTKUHYCNAAKAL-UHFFFAOYSA-N 430.280 0.248 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 1455116571 ZCCNFSXQGBOTNF-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 1476129421 AYICTBGUMBFWAI-QGZVFWFLSA-N 435.550 0.697 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 1478050771 GACSDLZDVFGLDF-PBHICJAKSA-N 449.533 0.652 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503714034 DCVKMJHTKDRERA-YZSZHRGGSA-N 445.524 0.517 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508329550 WYKUTUFIUUFLIL-YGKKUGEXSA-N 443.508 0.761 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CCO1 1517536070 MIDZEKKISNPLNG-GOSISDBHSA-N 437.460 0.951 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1539369478 LTHOSICZISKCIL-CABCVRRESA-N 445.636 0.919 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1564690520 SZSXJLWFHPLXPC-KURKYZTESA-N 429.477 0.408 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1584756791 UXHFLWXVQQZBEO-RTBURBONSA-N 430.553 0.839 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1588984952 MXESADAOEUHZSC-KBPBESRZSA-N 444.583 0.532 30 10 ICEE Cc1ccc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)cc1S(=O)(=O)NCC#N 1629674613 DMSHTTIMIUTUGG-KRWDZBQOSA-N 437.518 0.942 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(NC(=O)OC(C)(C)C)s2)CC1 1632966580 RYAZTTXGFGLJFM-UHFFFAOYSA-N 429.524 0.716 30 10 ICEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCN(O)C3=O)c2)CC1 1641524578 JLCNAICYEXIZEP-MRXNPFEDSA-N 444.941 0.776 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(=O)NC)CC1 1652307021 RDMXKJAAFNJTRL-QGZVFWFLSA-N 449.577 0.564 30 10 ICEE N#C[C@@]12CN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1655684165 ZVOUUJUYLIBSQQ-UWJYYQICSA-N 436.578 0.544 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1 1665750193 IQJVOZLUIKKYEX-UHFFFAOYSA-N 425.454 0.565 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1689852428 FGZVTMRUEGTKIP-HOTGVXAUSA-N 425.555 0.886 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1689853678 XFKCLVIHMQBXAB-DYVFJYSZSA-N 436.538 0.916 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1689986195 KOOWEAXJXWAOPN-CQSZACIVSA-N 429.481 0.888 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccn(CC)c2=O)CC1 1690111526 DDPXTUKNSXVUEX-GOSISDBHSA-N 428.537 0.987 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690723906 CWHDIZVKSCGVSK-OAHLLOKOSA-N 447.627 0.986 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909467 XXXQTOUAZFKCSP-NHCUHLMSSA-N 435.525 0.617 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1706848784 HGYWJCPKRDVNPM-UONOGXRCSA-N 435.558 0.993 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)C1 1712877173 CTLMFMSXRIKNIC-OAQYLSRUSA-N 441.467 0.755 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1722396041 FOFVEDAKAZVUER-KRWDZBQOSA-N 432.506 0.419 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@H]2OC)CC1 1740700991 PYUBQOJECWGLMF-WCIQWLHISA-N 433.553 0.809 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1740887951 NFSZMPXSYRQFFG-QFBILLFUSA-N 426.539 0.769 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740958617 RTHAKKBXFIPBPP-INIZCTEOSA-N 429.525 0.370 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1748970436 DBKKAXAEMISICF-QGZVFWFLSA-N 435.554 0.351 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CCCC 1760117645 RTIYZYKDULUELP-IRXDYDNUSA-N 426.587 0.801 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1760552290 JLEOPQVQMQLIFO-QGZVFWFLSA-N 449.533 0.506 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760554145 SORZFAKSKKYUKK-FQEVSTJZSA-N 447.565 0.637 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1761362613 FAOVEAHHPBCYCV-DLBZAZTESA-N 439.586 0.835 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCn2ccnc21 1761500572 BBFACJLBLMPYEU-SOUVJXGZSA-N 434.526 0.391 30 10 ICEE CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1765641025 UAQWSZFJQJSITP-MRXNPFEDSA-N 427.509 0.943 30 10 ICEE CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1768153159 DBQNFEICGMLPPJ-YJBOKZPZSA-N 426.543 0.778 30 10 ICEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1769323384 YFRAGEFBUPZWGP-UHFFFAOYSA-N 439.520 0.932 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1858334314 DZLOTDUDQAXLRY-ZDUSSCGKSA-N 447.498 0.882 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCC)cc1 1865722291 ODVWYVPENFYEQQ-OAHLLOKOSA-N 426.473 0.870 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627319 QWUJXFYOXQHVPS-OLZOCXBDSA-N 436.318 0.809 30 10 ICEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112941 NVPNORDDENTISI-MNOVXSKESA-N 445.251 0.786 30 10 ICEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)CC1(C)OCCO1 2282350846 SLEIHLLDTMYXHS-ZDUSSCGKSA-N 429.348 0.787 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 464948949 GJLSPGCSJMFJCP-INIZCTEOSA-N 428.541 0.511 30 10 ICEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480438206 ANVGJRWUQZAHJR-UHFFFAOYSA-N 442.607 0.923 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 512713874 ILJDBQLBNQNGKU-UHFFFAOYSA-N 437.566 0.260 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)o1 603800687 XWHDEZHRYRZBBZ-MRXNPFEDSA-N 429.498 0.352 30 10 ICEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730137488 GBIOHHBVGBWXTF-QGZVFWFLSA-N 447.561 0.973 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 742041253 LIRFLYQPIOQYMS-UHFFFAOYSA-N 447.561 0.294 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1cc[nH]n1 770824725 QPGIDBODRYDNEA-UHFFFAOYSA-N 449.414 0.956 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 790104217 LWEYVIZUTNAZGE-MRXNPFEDSA-N 429.502 0.730 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cn1 794578812 DHVYTOBXRXXWOS-HZPDHXFCSA-N 428.514 0.321 30 10 ICEE C=CCO[C@H]1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 1116551519 OXAHQRMFJNBJMY-INIZCTEOSA-N 440.522 0.987 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)cc3cccnc23)CC1 1220163286 WLOWEVUUXDEGAJ-UHFFFAOYSA-N 431.474 0.639 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)CC1 1220759006 XQBYRNPJLWIMOP-UHFFFAOYSA-N 445.501 0.827 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286385961 RSCYZAXKQHTSDA-LSDHHAIUSA-N 431.584 0.358 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286398608 LOVDITSZFJJOOV-UHFFFAOYSA-N 439.520 0.744 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286503392 AKVLHDYHFHOZRG-GJZGRUSLSA-N 425.580 0.999 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCCC)CC1 1286663267 JTYDDRBHVKNCCS-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286664450 WYMCARVMPQDGNI-CRAIPNDOSA-N 444.579 0.132 30 10 ICEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300412526 CFDDAFYRBKLONZ-UHFFFAOYSA-N 449.519 0.626 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1300733498 KKABFVNGYTYAKM-CYBMUJFWSA-N 428.584 0.347 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)CC2)cc1 1322318764 BMPNNGKUTIAQFT-HXUWFJFHSA-N 445.501 0.160 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1359030702 CEPMAJXKRIOTNZ-QHCPKHFHSA-N 446.596 0.796 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359049603 SMKWVKIYFYXJLS-AVGNSLFASA-N 429.524 0.369 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1 1359332243 SWIIPNLIKNQUNE-DLBZAZTESA-N 425.555 0.294 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1360300940 GARPKSUGWUOHFG-UHFFFAOYSA-N 437.508 0.838 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1360339965 YIJFENYQCDRKRK-ZWKOTPCHSA-N 444.533 0.652 30 10 ICEE CO[C@@H]1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C(=O)OCc2ccccc2)C1 1439795620 KGEFQFUDCRWKPW-XKGFGPFHSA-N 447.513 0.809 30 10 ICEE COC(=O)CCN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1473267347 SJIPWBZYAJANFD-GOSISDBHSA-N 434.518 0.419 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508084075 HFSBQPAXQAZBBS-INIZCTEOSA-N 438.492 0.039 30 10 ICEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508391946 JZWCNKCHSQIOAW-UHFFFAOYSA-N 434.508 0.798 30 10 ICEE CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516849017 DDALZXBABGVYNZ-HKBQPEDESA-N 443.533 0.818 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1539315045 CLZAEUXYVRYHJQ-FQEVSTJZSA-N 445.501 0.018 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C1 1540882545 KHVCLNPFNFKHHP-QOHXFFFDSA-N 431.584 0.581 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(OCCOC)CCOCC1 1588224047 NPFSYHAWVVQLAW-SFHVURJKSA-N 429.521 0.904 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588769100 ONHQLFOSSNKZIS-QFIPXVFZSA-N 443.573 0.812 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@H](C)C2)CC1 1588924355 ZXSPADOSKQDZPK-HKUYNNGSSA-N 441.580 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 1595788413 AELVSBQYZZZUIX-UHFFFAOYSA-N 447.565 0.637 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1618596250 OTIKHRRCBGQGCV-OPAMFIHVSA-N 437.504 0.970 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(F)c(I)c2)c(=O)nc1O 1641967900 JZKLIOORTRTAJE-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1654577107 AJMDICVIZAAKLA-SJORKVTESA-N 443.547 0.194 30 10 ICEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689930265 NZICNWASEIAMGD-GOSISDBHSA-N 438.536 0.817 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1690106163 MJIHPCYYQUFEQK-GOSISDBHSA-N 449.581 0.650 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1690110626 UKBQNTRYQWNWJG-SFHVURJKSA-N 439.520 0.876 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1695766464 CFJYLJATNBILCI-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1705494986 JAWPRBCBTIWFJJ-HZPDHXFCSA-N 426.587 0.657 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705659583 AQOKKOPICFVGTJ-HNNXBMFYSA-N 442.549 0.721 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1705700392 SQXXVTZHCRPFFP-CBZIJGRNSA-N 437.566 0.828 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 1705786211 ISOZWBZVMQGQTL-CQSZACIVSA-N 448.615 0.572 30 10 ICEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705826281 TZRRHLXWJWWGOC-GOSISDBHSA-N 435.488 0.556 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1705844284 ZHUFMSZXAGABRO-HZPDHXFCSA-N 435.554 0.692 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1722726952 DDHBSAXBWWCRLQ-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722727866 LYFMLJMTUXRJLC-KURKYZTESA-N 439.582 0.540 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1730945799 HFYIPWFIUPDGDI-RIFZZMRRSA-N 436.488 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)CC1 1740701183 XIXJJFGIVBZTGI-IBGZPJMESA-N 441.580 0.964 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1748822133 YRMGYEADHIMRGG-SFHVURJKSA-N 442.545 0.665 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748860712 ZMXMKXAFYZHHEW-NQIIRXRSSA-N 442.497 0.413 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1749484477 BFUHEAGEHGHPDA-UHFFFAOYSA-N 433.476 0.967 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1749664047 FDUUDJNIMVDBED-UHFFFAOYSA-N 429.525 0.565 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749738864 ZIKAFKROSFGLTC-UHFFFAOYSA-N 431.584 0.303 30 10 ICEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1760529872 HZHMBISJSCJFCX-GOEBONIOSA-N 448.549 0.813 30 10 ICEE CCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764873437 SUCNHOBVPOWRGC-FZFLATATSA-N 427.509 0.958 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873560913 BMNWVUOPXNIUCA-CALCHBBNSA-N 428.537 0.981 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)CC1 1890178219 SMAUXCTYQOBFAB-FQEVSTJZSA-N 444.580 0.577 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)n1 2258229511 MKCLWOPMMCTRJI-UHFFFAOYSA-N 431.224 0.397 30 10 ICEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267598254 XGRFXLJXUBRCLW-GHMZBOCLSA-N 445.251 0.643 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447780073 WJDSAUYJRMZMSW-INIZCTEOSA-N 449.536 0.936 30 10 ICEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1 518293657 DHMNJNSWDGSMLG-UHFFFAOYSA-N 429.521 0.600 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)C1=O 535856685 OATYBJBOUDIUDS-BBRMVZONSA-N 436.827 0.844 30 10 ICEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 561739283 FKUMDHYYRUDAKN-UHFFFAOYSA-N 440.548 0.266 30 10 ICEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670221454 GYIWNWSRDQUPLH-QGZVFWFLSA-N 448.491 0.970 30 10 ICEE CN1CCN(C(=O)c2ccccc2NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732415771 DCJDDHYGGNBHSA-HNENSFHCSA-N 426.477 0.722 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763436457 KWFUZRHZESWZKN-UHFFFAOYSA-N 436.537 0.952 30 10 ICEE CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(=O)O 776589313 VCJXZEFJESUMEI-SNVBAGLBSA-N 426.419 0.804 30 10 ICEE N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 781974158 JKIYMRWAXUNLNN-RYRKJORJSA-N 438.937 0.663 30 10 ICEE CCc1n[nH]cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785175057 HUUJUHHAYHACKB-UHFFFAOYSA-N 431.474 0.534 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 790108904 HYUJQODFDOSBSA-UHFFFAOYSA-N 439.520 0.410 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)OC)nn2)c1 811182669 LQHZJIRUAMPFTM-HZPDHXFCSA-N 436.446 0.326 30 10 ICEE CCS(=O)(=O)N1CCC(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1138124644 UJRCDDFFKVLQNV-UHFFFAOYSA-N 431.511 0.914 30 10 ICEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)NC[C@@H](O)C(F)(F)C(F)(F)F 1251131421 FUFNSYVFYLZUBH-ZCFIWIBFSA-N 428.236 0.869 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286505193 ZRXKTYZGRHRGRJ-UHFFFAOYSA-N 442.549 0.676 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)C)C1 1286816178 CPYPPGSDOTUOAX-HUUCEWRRSA-N 433.600 0.971 30 10 ICEE CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1296951382 BTFPWEXNIXYYRY-BKEMPNMISA-N 430.506 0.260 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1300409886 KTIHTYPHHFAVLK-KURKYZTESA-N 437.566 0.887 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 1309598843 VRSINWVJTYKBBJ-UHFFFAOYSA-N 444.351 0.655 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1316100980 FEOSAJOZJWCRHS-SFHVURJKSA-N 437.504 0.930 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCS(=O)(=O)C1 1318358258 VNFSIVHHXIFVKN-MRXNPFEDSA-N 443.547 0.341 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1359057685 GEUXVBSWXJUSJM-LSDHHAIUSA-N 445.636 0.919 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359302291 BKGDFZGPVPKNJQ-JOCHJYFZSA-N 425.537 0.867 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359304244 RJXVOBNWCMTRAV-MRXNPFEDSA-N 426.525 0.820 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCOCC2)C1 1359313505 NKCBYJTZCRCEKD-LSDHHAIUSA-N 429.543 0.211 30 10 ICEE CN(C)CCCN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1453174121 XZZULWYERUBBTE-UHFFFAOYSA-N 435.594 0.959 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1456224486 SFOOXGRNODTXNS-HZMBPMFUSA-N 448.320 0.107 30 10 ICEE COC[C@@]1(C(=O)OC)CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1461534449 SNHGCFLXPYHBNM-HRAATJIYSA-N 428.445 0.944 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1470870555 LJFUGCUFLONNCZ-MRXNPFEDSA-N 445.586 0.721 30 10 ICEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)C(=O)OC 1472577272 ZKALVRFAQQEWBI-INIZCTEOSA-N 431.470 0.863 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1479356877 CESJZKNJWZTMNE-MRXNPFEDSA-N 427.552 0.463 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1507732868 YNKVAEGUTFKDOU-HUUCEWRRSA-N 429.493 0.360 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)C1 1508124292 LLSSWZUKVSMLOW-GJZGRUSLSA-N 425.555 0.734 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1510218406 NEIOOAXOOFVPTN-BHYGNILZSA-N 435.554 0.410 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1539202784 LEBCTXRQEXIKCC-LSDHHAIUSA-N 431.584 0.705 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1539430066 GWAUCVQNLPUHBL-BZSNNMDCSA-N 438.598 0.849 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1540867136 LZDMPXPTCLUSMT-OAHLLOKOSA-N 426.477 0.938 30 10 ICEE CNC(=O)CCN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1554475915 QQXCORJVAADOEP-FMQUCBEESA-N 438.492 0.363 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1567570023 JZJJSIXPEWWPEY-AWEZNQCLSA-N 425.511 0.549 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588034772 LTMDBPBKXKTZDB-JXFKEZNVSA-N 438.550 0.593 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1610904940 YHBABWSVGMOJSM-YJBOKZPZSA-N 427.527 0.482 30 10 ICEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1618836408 NAURBNUNRRSXNB-MRXNPFEDSA-N 438.492 0.469 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1cc[nH]n1 1630026561 LWAWNNLXZZZRGK-UHFFFAOYSA-N 442.520 0.757 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C2)c(=O)nc1O 1637513807 POJBUHWCPMHZPJ-UHFFFAOYSA-N 428.348 0.811 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1641178418 GALVXZYZNYOQRR-UHFFFAOYSA-N 426.267 0.989 30 10 ICEE C#CCN1CCN(C(=O)Cn2cnc3c(c2=O)CCN(C(=O)OC(C)(C)C)CC3)CC1 1651925447 XQNMEAFYJXGHSA-UHFFFAOYSA-N 429.521 0.356 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1686716210 ROTYOKOSUFMZSZ-OAHLLOKOSA-N 434.518 0.228 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1698310875 CYAHKQOXHMBOAQ-RLFYNMQTSA-N 426.518 0.896 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705894736 JJYJPPXHGYJITJ-OAHLLOKOSA-N 433.557 0.850 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705902501 GEEASPSLZVCDBP-INIZCTEOSA-N 440.570 0.240 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722699262 TVZFQDIKDAMACC-ZWKOTPCHSA-N 429.525 0.885 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1722725838 TZTJTGJMGFWVHT-MRXNPFEDSA-N 437.497 0.636 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC1CC1 1740551536 LFNHNYXBZOVADK-RDJZCZTQSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740622306 WZKBCLOSKLWCFT-AWEZNQCLSA-N 425.536 0.335 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N(C)C)C1 1740983068 AMFHCSKXRXCBQV-HNNXBMFYSA-N 426.543 0.073 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748697491 KLINHPMDXMMPHX-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1748818363 ASEVCBMGXJFJEA-GHTZIAJQSA-N 447.561 0.678 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1748820053 YDRPZJXZBGEWSB-UWJYYQICSA-N 442.545 0.369 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749660437 PDHMFNOMBRVTSW-NVXWUHKLSA-N 429.477 0.616 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1749678120 WSHAVLKBKAMYRF-SFHVURJKSA-N 426.477 0.883 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1760097197 BKDXJJXVRURQRZ-CABCVRRESA-N 434.570 0.907 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1769308423 QEIOYFXCRMGMHR-STGLLQLASA-N 431.497 0.271 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)NCC(=O)N2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1892256631 URZAHFAXOFOTJL-PMACEKPBSA-N 430.530 0.927 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255618150 GMARSHQGVPVTNU-UHFFFAOYSA-N 436.318 0.857 30 10 ICEE N#Cc1ccc(OC2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 507848253 TYPSOLWELLEDAS-LJQANCHMSA-N 446.573 0.733 30 10 ICEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 514475058 JDVPUZMEYAHAJR-KRWDZBQOSA-N 436.493 0.896 30 10 ICEE CN(C)c1nccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 524969793 PNUQJYOPEWNGHK-UHFFFAOYSA-N 443.533 0.697 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 555249111 FJVPEPPAXPXNHT-KRWDZBQOSA-N 426.587 0.965 30 10 ICEE C=CC[C@H](CO)CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 571366258 WQFJWDWXZXDSLG-INIZCTEOSA-N 425.551 0.936 30 10 ICEE C[C@]12CC[C@@H]3C(=CCC4=C=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)C#C[C-]43)[C@H]1CC[C-]2O 585661058 KLZHLTXOYIKTBG-VYFDOXHJSA-N 442.464 0.957 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cnn(CC)c3)c2=O)cn1 735068508 JDAOEPSQBFRNHQ-UHFFFAOYSA-N 437.529 0.504 30 10 ICEE C#CCN(C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 742052939 WSKKRKXXWHAPFF-OAHLLOKOSA-N 437.543 0.496 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 756749387 AGVUSWBIWDHWJG-YYHKSVKZSA-N 439.538 0.949 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@@H]1CCCO1 767953100 NMDXTUJWXHQKSQ-INIZCTEOSA-N 431.514 0.564 30 10 ICEE C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774176170 ASEBTYJAOMTKSI-GDBMZVCRSA-N 427.548 0.830 30 10 ICEE C#CCN(C(=O)NCCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 774194164 RGONJKVQYQJMJI-GOSISDBHSA-N 434.566 0.211 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCOCC2)CC1 787100243 OSYLRFBAMVBIMQ-INIZCTEOSA-N 435.502 0.751 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 788695323 IVOZGQXKIQZQBV-UHFFFAOYSA-N 440.547 0.604 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1 856693642 HVMOAHHFRBOYJO-UHFFFAOYSA-N 434.518 0.778 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1286325501 YNZFTJRGUAPJNB-DLBZAZTESA-N 441.554 0.266 30 10 ICEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1286362663 GOJGUYFZEQBJJW-FQEVSTJZSA-N 431.566 0.683 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286394991 QKSQBKGZHUUGHU-GPMSIDNRSA-N 440.591 0.667 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1286789430 GOPKOCFXIHVBQO-SFHVURJKSA-N 437.504 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286819878 YNNBACQEDGCGHF-LSDHHAIUSA-N 438.554 0.325 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291196061 DHCYHELCQTUVAC-OHTQGHCMSA-N 445.549 0.982 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1300631908 XZYXCCXGVBIIGB-IAGOWNOFSA-N 447.565 0.530 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)F)CC1 1300719669 LHYWKIYSGSXZHV-UHFFFAOYSA-N 434.451 0.026 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(OC)CCOC2)CC1 1301086696 NGIJIPRCXKJMLC-QFBILLFUSA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1301492591 KQMICFYUAMFSHU-AWEZNQCLSA-N 426.477 0.685 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301496932 KIAADXRNZMHIBW-UHFFFAOYSA-N 448.553 0.336 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301506007 FDEPVKAFDNPUJN-HNNXBMFYSA-N 433.538 0.036 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1301554557 IGPSVIWROWOMSY-OAGGEKHMSA-N 438.554 0.292 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)CC1 1359036025 KQUJRROIZFXVOH-GOSISDBHSA-N 431.566 0.302 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359056717 KDSPBIMKKIYYME-JKSUJKDBSA-N 432.550 0.915 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(C)nc2OC)CC1 1455115130 MLXUNNZRAOLFME-UHFFFAOYSA-N 431.312 0.387 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1503835112 AEVREFPFTKHGQS-SFHVURJKSA-N 426.543 0.608 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507636582 BAHVWLTWVJECLU-HDMKZQKVSA-N 426.564 0.624 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CCC)C2)CC1 1507732820 XUHAGZIHAOQPOM-RBUKOAKNSA-N 434.610 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(CC)CC)CC1 1539476648 CNVZOMMGAYGGIP-FUHWJXTLSA-N 429.569 0.925 30 10 ICEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1539751668 RTCZBNFCQISMSY-UHFFFAOYSA-N 426.525 0.981 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1539968512 ZYGDQRXSPCFMOF-HUUCEWRRSA-N 426.543 0.279 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1540005632 MUUVLXVEBYULKL-KRWDZBQOSA-N 440.570 0.636 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540005817 OVSHCXBTOAYSJS-MRXNPFEDSA-N 445.611 0.912 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540869053 AFXQZHPYBMSIRM-YWZLYKJASA-N 428.497 0.017 30 10 ICEE CCOCc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1548137570 MLYNFHQDGXXXFD-IVFAQJDTSA-N 429.481 0.057 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1588140590 ZAYRKYTZXREMQF-BZSNNMDCSA-N 435.550 0.499 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1611308003 KAUQRMMUQTTWLJ-STQMWFEESA-N 436.485 0.631 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CSc1ccc(S(N)(=O)=O)cc1 1630585174 HXOJJMLCWKIDND-CYBMUJFWSA-N 432.531 0.825 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 1632960993 RTUDIAUKDGWDLW-UHFFFAOYSA-N 435.474 0.049 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cn1C 1644787720 LNJZCYFVMYEBEB-UHFFFAOYSA-N 441.513 0.334 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 1665749561 BXURLGVJAXHWHM-UHFFFAOYSA-N 427.426 0.359 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1690515219 ICTXFRBARFQRSF-OAHLLOKOSA-N 435.554 0.790 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1690660936 RCHZDJMWTJNKQN-GUYCJALGSA-N 428.584 0.524 30 10 ICEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698320490 HIYLYDXUCONDMV-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705609613 KMOBRUHRTKNAIO-HXUWFJFHSA-N 434.518 0.971 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1705925899 VTXIDZWMLBOBGP-HZPDHXFCSA-N 439.538 0.804 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1712710444 GMLKUOUJMLKNHK-INIZCTEOSA-N 445.505 0.397 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1722295226 JPPVGAKTKQTAPE-FUHWJXTLSA-N 429.546 0.997 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)CC1 1722438304 VJEPJHFQUCARRS-QGZVFWFLSA-N 436.582 0.556 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1731009495 WOCDNBRBHMAWIO-DOTOQJQBSA-N 444.517 0.488 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740622916 KVLXFLLFURSDQA-ZFWWWQNUSA-N 448.574 0.923 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740695635 ZKUFWIIPEGHJJA-UHFFFAOYSA-N 430.534 0.035 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)CC1 1740706651 YXPZUQZROQRAPE-QZTJIDSGSA-N 444.536 0.391 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1748643875 YYRQLJFKGIIYQQ-LPHOPBHVSA-N 425.555 0.812 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1748858675 RMSPDUXHZYODAK-OAHLLOKOSA-N 425.580 0.825 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1748929179 GAGMCISUFTTYQC-DLBZAZTESA-N 447.565 0.845 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 1748991020 OPGRXBPCHXCGMY-SFHVURJKSA-N 427.553 0.777 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749659633 HDLZGRPCQHZCFM-AWEZNQCLSA-N 433.490 0.599 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749735286 RCCVZOWHZMJECW-MRXNPFEDSA-N 425.555 0.830 30 10 ICEE COCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1749871828 YNAMGWGRKIVCCH-HTXNQAPBSA-N 431.497 0.223 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760148469 AWUFENRYOJYCAL-KRWDZBQOSA-N 426.506 0.958 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(CC)CC1 1760225471 QFSBNUCNASPKIC-SJORKVTESA-N 425.603 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CC1 1760261550 NIBOSXNLUSJZSJ-HJWYETAXSA-N 441.623 0.483 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1760351324 GJQWPXQVPFTTNH-GOEBONIOSA-N 428.559 0.586 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1760688475 IOBIFKIHSOSXEL-APWZRJJASA-N 440.570 0.950 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)[C@@H](C)C2=O)CC1=O 1857095537 PNYQMVPQXPZNNG-HOCLYGCPSA-N 437.493 0.749 30 10 ICEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#CCO)c1 2164498709 VFXHFTDJRQABKG-HXUWFJFHSA-N 431.445 0.613 30 10 ICEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2259117574 DHZMKAADRDUDPI-UHFFFAOYSA-N 436.318 0.763 30 10 ICEE C#CCCN1CCC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286045936 VBPZYMZBANLPGA-ZWKOTPCHSA-N 437.518 0.773 30 10 ICEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1c(F)cccc1C#CCO 2289805585 LTYBEISHXPDWEY-UHFFFAOYSA-N 430.457 0.928 30 10 ICEE CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 475010017 UJMAIIOETYNFFD-KRWDZBQOSA-N 433.534 0.833 30 10 ICEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cnn2C)c1=O 505659797 IJRVTWKPIXBQNX-UHFFFAOYSA-N 449.536 0.611 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 514916348 JKXYXFMBOWUZHR-UHFFFAOYSA-N 440.569 0.580 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1C[C@@H]1CCCO1 543951157 SVXAOSQAPUSBHI-HNNXBMFYSA-N 445.928 0.926 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2)c1=O 590902205 CADXSJINEIYGRC-INIZCTEOSA-N 429.542 0.991 30 10 ICEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 611546611 VKMPDAWMMWWFFX-UHFFFAOYSA-N 428.467 0.822 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669806020 NRBRNTMXJDTAMR-CQSZACIVSA-N 436.542 0.508 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732648084 NWKRVTWWDKWIFO-LJQANCHMSA-N 431.562 0.500 30 10 ICEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 744495870 RZWZIEIGNSGYNP-GFCCVEGCSA-N 431.474 0.496 30 10 ICEE CC(=O)N1CCN(c2ccccc2CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1116044127 BKLUCDNHWYCWKH-QZQOTICOSA-N 440.504 0.681 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286389327 IAXABXLXXQZKIL-QAETUUGQSA-N 437.566 0.917 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286785223 HSWFEVUWTYMFJZ-HOTGVXAUSA-N 444.540 0.348 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286820258 IJUDSJZRPAMYCN-GJZGRUSLSA-N 432.568 0.744 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286825886 ZATZFAXQFGEAPD-HUUCEWRRSA-N 447.583 0.248 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287487270 PPWAZQFYHAIWJR-FZFLATATSA-N 427.509 0.814 30 10 ICEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301238897 HBKJLJYLWLSISL-SFHVURJKSA-N 448.568 0.892 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1301557547 PTVKESFQLJADGH-DOTOQJQBSA-N 449.533 0.871 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301587396 OFQYZMVFRYGIEK-KRWDZBQOSA-N 445.549 0.421 30 10 ICEE COCCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301610821 WIPVYASFZWKVEB-SFHVURJKSA-N 425.541 0.880 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1303512650 LYBCAVKYCJSNLU-QCGWZAEESA-N 435.502 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOCC2(C)C)CC1 1359045591 MTDOSTFFFZEZDA-LJQANCHMSA-N 444.580 0.859 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359048203 IRSMNDWMTSGKHR-HNNXBMFYSA-N 425.580 0.894 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359123851 SGOXECFUYFVYNK-PKOBYXMFSA-N 429.569 0.965 30 10 ICEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1463162527 BQYWGBNTXLKURF-JURYVKQJSA-N 433.530 0.749 30 10 ICEE C#C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1468478394 FIFDXVDSKKLMLN-OAHLLOKOSA-N 427.910 0.063 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1502729928 UBYXDKGMEQEOIM-UZLBHIALSA-N 430.465 0.568 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCN(C)C(C)(C)C2)CC1 1507741079 KPTXQVCGPLAUEB-UHFFFAOYSA-N 445.612 0.806 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507789605 FPYWIDXNQKFSFD-AWEZNQCLSA-N 441.330 0.650 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539413535 LYAFVIMPOBPIRG-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCOC)CC1 1539477517 PDVQCSRXIREXIU-OAQYLSRUSA-N 429.525 0.432 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1541030421 BEZKTLPIWIKOJV-IBGZPJMESA-N 437.504 0.780 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588024843 NSPDQADKZNBRBD-KRWDZBQOSA-N 434.566 0.237 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)CC1 1588806391 OYHURYIKRYFDTC-IBGZPJMESA-N 435.532 0.587 30 10 ICEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1589053174 JFVYIFKUCJDYFJ-UHFFFAOYSA-N 447.590 0.883 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCSCC1 1620385039 KDXRDSIABOIXOF-ICFOKQHNSA-N 431.522 0.594 30 10 ICEE C=CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)nn1 1630446053 UTWQOMKQFYNFDW-MRXNPFEDSA-N 439.925 0.967 30 10 ICEE Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC2)c1C#N 1638509008 NMWODBKROCAOGN-UHFFFAOYSA-N 434.569 0.212 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)C2=O)cc1 1643445837 OBCJFSUVQCGIAI-IXDOHACOSA-N 430.486 0.941 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)CC1 1690124917 WWNDSUNITMQMIG-MRXNPFEDSA-N 434.591 0.943 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690726613 GMCALQHMTUTXCX-KRWDZBQOSA-N 432.550 0.957 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1696478193 XMEIRKOUJHYYSJ-IAGOWNOFSA-N 447.517 0.612 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1705477117 JLKPNVIYKKMLEX-DLBZAZTESA-N 439.630 0.620 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1705583505 ZRRZUEXYKLWCQH-MSOLQXFVSA-N 435.550 0.643 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 1705891013 UWASQZLDCKHHIU-QGZVFWFLSA-N 440.570 0.098 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3CC(=O)N(C)C)CC2)c1C#N 1707807494 BPIZLPWJJXNXQC-UHFFFAOYSA-N 436.524 0.612 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1722429046 MPBDVVIPLRSHCL-JOCHJYFZSA-N 441.536 0.690 30 10 ICEE Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726378099 QUMVWLXKBCQNAA-HRZQKCLFSA-N 441.414 0.618 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740643488 JLSWWVXUFDVXAA-NRFANRHFSA-N 428.514 0.788 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740958535 DAHJZRUPKJJTBY-QFBILLFUSA-N 429.569 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740992484 QSMVILGIVYBZSX-YLJYHZDGSA-N 439.582 0.684 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1748278473 NDHJYFQLEYYWFW-OAQYLSRUSA-N 426.477 0.861 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCN(CC)CC1 1748640709 XBHDYGOBSMLILT-SQNIBIBYSA-N 439.630 0.620 30 10 ICEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749508088 ISGXRJKZYYTUQJ-OALUTQOASA-N 426.539 0.635 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1751027581 XQFLVYGCWUKWCC-UTKZUKDTSA-N 448.524 0.296 30 10 ICEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760156906 XDEBCSYTGVGXMK-SFHVURJKSA-N 436.516 0.632 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2nc(C)no2)CC1 1760268404 JGNVXRRYXUWDKY-UHFFFAOYSA-N 437.508 0.969 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)C1 1760534363 WWFIEKJZCFOYGS-INIZCTEOSA-N 438.554 0.331 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3[C@@H]3C[C@H]3C)CC2)c1C#N 1762399726 AEHFQGICAAIXTG-IVMMDQJWSA-N 447.569 0.709 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(=O)N2CCOCC2)c1 1771531104 BRCHZJPXLWUGCR-QGZVFWFLSA-N 437.504 0.767 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2=O)CC1=O 1854313033 HEOBICGCURSQCB-LBPRGKRZSA-N 427.429 0.359 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669457 DLOOMABESJEBQV-NUEKZKHPSA-N 449.313 0.660 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255693919 KQIVMPUEVNCBRO-NWDGAFQWSA-N 437.306 0.136 30 10 ICEE C=CCOC(=O)C1=C(C)OC(=O)[C@@]12C(C(=O)OCC)=C(N)N(CC(N)=O)c1ccccc12 20609255 NZDOPFNGGAMCDX-JOCHJYFZSA-N 441.440 0.523 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 514492335 PYCMPFIOJMUKDW-DZGCQCFKSA-N 433.555 0.804 30 10 ICEE Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544080636 DEKKHZXIPOISEG-UHFFFAOYSA-N 443.579 0.772 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 566942515 SZEJYYRRHCCNJW-INIZCTEOSA-N 436.586 0.872 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 677821979 NSFLTQPWFYKCSN-UHFFFAOYSA-N 439.385 0.892 30 10 ICEE N#C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCN1C1CC1 758018128 RMRAGHVHEMWGAV-QGZVFWFLSA-N 439.476 0.771 30 10 ICEE C#CCN(C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CCS(=O)(=O)C1 774212293 ZYYRVZSSMHGTBI-WOJBJXKFSA-N 446.573 0.716 30 10 ICEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(Br)cnn2C)c1=O 782602226 ZVNPCZPJDNFQGZ-UHFFFAOYSA-N 439.335 0.780 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ncnc2c1c(Br)nn2C 814829557 ZNXGIXPDRVVTJH-UHFFFAOYSA-N 428.276 0.423 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 816693174 DSPNIALZKBNMMX-HNNXBMFYSA-N 433.442 0.979 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 917768337 KGBZDKANBIKSOC-CQSZACIVSA-N 448.570 0.510 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286459248 CGLANGXEILRWQN-HXUWFJFHSA-N 429.502 0.452 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286786361 CLMMGUVHIBBQGU-KRWDZBQOSA-N 425.497 0.391 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286788157 QWNVVCKGBJKFBR-SFHVURJKSA-N 445.568 0.219 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1300465107 KWFNTZHCVNPQTI-SFHVURJKSA-N 438.598 0.945 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1301425743 YCDKMLKJMWFKEW-ZACQAIPSSA-N 428.555 0.871 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955317 JUHYHKTXLWTOHM-DOTOQJQBSA-N 438.598 0.773 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCN(C)C2)n1 1359028613 YBJBQVNKTNVWDW-DENIHFKCSA-N 443.552 0.679 30 10 ICEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O)C1CC1 1359249648 KQXVVXPDSDJVLJ-UHFFFAOYSA-N 443.533 0.896 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1359271813 DWSNRIVBAJWKSS-APWZRJJASA-N 425.555 0.950 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2nnc3n2CCN(C)C3=O)s1 1471858280 ZBAMVRFSCURUFS-UHFFFAOYSA-N 438.535 0.091 30 10 ICEE C[C@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccsc2S1(=O)=O 1478764502 VKAIQGQWQKFJQQ-GPMKHBRKSA-N 429.545 0.935 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1507654150 WOXHMNGNTINJDV-SFHVURJKSA-N 443.529 0.722 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2noc(CC)n2)CC1 1507738050 IPQPYEGQROLJLZ-HNNXBMFYSA-N 440.508 0.383 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539261178 ZUYWDJXKMNKRLV-JKSUJKDBSA-N 438.454 0.955 30 10 ICEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539962743 BDUOEVFFQZWYFL-QGZVFWFLSA-N 443.552 0.857 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)C1 1540891843 AGKZXPAVIJVTKL-ZACQAIPSSA-N 426.539 0.767 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540907465 XTGTYDREEQTKIR-MRXNPFEDSA-N 447.565 0.729 30 10 ICEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1555131970 FRFCZUWKXVDSRL-LMPOIIKSSA-N 426.543 0.822 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1587944821 CVGHRSVEVCJEOT-UHFFFAOYSA-N 434.518 0.971 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C2CC2)CC1 1588885374 WGWKCHXZTGORIX-INIZCTEOSA-N 429.569 0.865 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1596714070 PDLOECQXEAXFJA-QGZVFWFLSA-N 437.508 0.349 30 10 ICEE N#Cc1cn(C2CN(C(=O)COc3ccc(C=O)cc3Br)C2)c(=O)nc1O 1607489659 RLGMOSGMKBYZLF-UHFFFAOYSA-N 433.218 0.858 30 10 ICEE CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1610053910 CWPGTWUOQIRQOE-UHFFFAOYSA-N 432.492 0.853 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1617709482 PFBVLFKDPYASDC-HXUWFJFHSA-N 443.533 0.567 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)ccc1F 1650742067 DRTSMQBGRJEHIE-CQSZACIVSA-N 425.482 0.393 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2CC)CC1 1650846490 ZGGNOUOMNIWDQO-UHFFFAOYSA-N 436.925 0.709 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1689826543 PVHHUACDRVZWQT-UONOGXRCSA-N 431.584 0.704 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1689835753 RVWOFHFMSSNACR-HNNXBMFYSA-N 431.518 0.665 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1690182852 HMZNAXHIPMFFPJ-UHFFFAOYSA-N 431.566 0.977 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1)C1CC1 1705854847 PIJYLQHMUMVILL-CRAIPNDOSA-N 443.595 0.634 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1706078685 VFOSLMNBXBCCCL-IWHJNQCMSA-N 426.481 0.523 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1711419316 CDXAWQFCWFFQHY-SFHVURJKSA-N 448.549 0.998 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)CC)CC1 1722431986 RJUPEABXPBKEPB-IAGOWNOFSA-N 425.603 0.374 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722726183 YBNZMEQLUPOYNH-LSDHHAIUSA-N 438.554 0.074 30 10 ICEE COCC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730652014 PNYGZTGNZGUZJH-UHHPSXQGSA-N 445.524 0.806 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNS(=O)(=O)CC)CC1 1740698345 ROOIZKDEXJMACZ-UHFFFAOYSA-N 431.566 0.349 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740715603 KSRLQWHJJHDCCX-MRXNPFEDSA-N 442.593 0.834 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1740751672 NJTDIKWSGZHGTE-VGWMRTNUSA-N 440.570 0.571 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1741888441 QZIVWNNHNIAYCT-GOEBONIOSA-N 446.533 0.877 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)CC1 1748989105 FNJXICHDJWYFAK-HNNXBMFYSA-N 448.515 0.430 30 10 ICEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749646114 LGIBNHYGBQWKPY-CABCVRRESA-N 445.524 0.683 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749671188 ZNOCAHRFMOXFIR-IAGOWNOFSA-N 445.568 0.263 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760269315 FFANAHXMFXUMRS-AEFFLSMTSA-N 449.577 0.920 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760406826 MSXDYFNZVYYVTF-ZIAGYGMSSA-N 425.559 0.704 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)[C@H](C)C2=O)CC1=O 1855052488 RYCGMRHYGYWJFP-CHWSQXEVSA-N 441.456 0.747 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255637601 DVXNNOBWRQXNEU-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cn1ncc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255821300 DQAWBHVKNJRCBP-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255876331 LLVOYFNEBVGKIC-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1=O 2286047432 GYXPYPCVWHEJCR-MRXNPFEDSA-N 439.490 0.114 30 10 ICEE N#Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 461446590 HMVVJKNSOFKKMO-UHFFFAOYSA-N 432.462 0.714 30 10 ICEE Cc1nn(C)c(N2CCN(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 472158308 PDVZZZASCMYMQA-KRWDZBQOSA-N 436.582 0.394 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 512710746 YYBFVKJSHXMQDS-IXDOHACOSA-N 436.578 0.340 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 513529149 TUESCDJXNUBZBF-UHFFFAOYSA-N 427.548 0.837 30 10 ICEE COC(=O)CC1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 548099758 KHQIGMMEIWNODF-UHFFFAOYSA-N 448.545 0.857 30 10 ICEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 679754879 DWOFBPNNPHANSJ-UHFFFAOYSA-N 444.582 0.961 30 10 ICEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)cn1 782703906 FROFSPMAHJAUNJ-UHFFFAOYSA-N 430.291 0.638 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 917768336 KGBZDKANBIKSOC-AWEZNQCLSA-N 448.570 0.510 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)s1 917768356 LIKLGLUZGJAWQM-AWEZNQCLSA-N 446.554 0.216 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1150869441 DFCKPVJAPRSGOB-CYBMUJFWSA-N 435.419 0.886 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1230326124 AQPIKVHNUPQSGS-GOSISDBHSA-N 436.534 0.458 30 10 ICEE COC(=O)c1ccc(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)[C@H](C)C2)cc1 1292693830 ABSGUFGHUDOXIQ-CQSZACIVSA-N 425.445 0.735 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300498452 KKZNKQATROYOCU-IBGZPJMESA-N 439.545 0.981 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301490694 CQTAAKKITVFVSH-KRWDZBQOSA-N 426.525 0.318 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301498695 SJARUDWZCVBDTO-GFCCVEGCSA-N 447.437 0.554 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 1302921848 VZZBIAXCHZWPBI-CQSZACIVSA-N 442.538 0.498 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(N2CCSCC2)c1 1461938224 AWXLBRKRXZBIFN-UHFFFAOYSA-N 431.543 0.990 30 10 ICEE CNC(=O)N[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1471811484 CNYALPKPSNTSGI-QGZVFWFLSA-N 433.534 0.879 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2)nnc1N1CCS(=O)(=O)CC1 1505350592 GOGOTJOUCBDABK-ZPHPHTNESA-N 442.501 0.706 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1507972576 JBLWKGFSUFQVNO-UHFFFAOYSA-N 427.552 0.910 30 10 ICEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1508168774 YOMQWNRFPVYPPO-INIZCTEOSA-N 444.565 0.206 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1539012258 FIGLYHHJIMKBEM-WCQYABFASA-N 425.540 0.277 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC 1539017301 ZFBONTAYJIHQCA-SJORKVTESA-N 426.587 0.801 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1539238115 QQSJAUQPOXUMEI-UHFFFAOYSA-N 448.574 0.664 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1541116833 VXDXQPLKEPPGGV-GJZGRUSLSA-N 437.526 0.876 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)cc1 1543124987 WOINBBLXKMYRNS-HDWJXOOESA-N 444.517 0.868 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 1588837383 SCOXIGKLSXYELI-GOSISDBHSA-N 438.598 0.802 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588913196 BNPXEXYWTLGAPK-ZHRRBRCNSA-N 426.521 0.789 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594733325 RAGWPMHPTHWSHH-CVEARBPZSA-N 438.554 0.388 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1612878736 OUJLOUFDMBLRMO-AOMYARPXSA-N 436.476 0.533 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)OC2=O)C1 1656342904 DGDSETLVJUVPKL-CKFHNAJUSA-N 425.507 0.409 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1662011948 NTXCUGCQQDKFCA-HZPDHXFCSA-N 425.507 0.861 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689988153 KDQDYNVYJLOZSD-WRWLIDTKSA-N 432.550 0.856 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1690170427 IIUBMOQLONUCED-UHFFFAOYSA-N 446.533 0.667 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690670859 KUFLXJHXCGBUHG-SFHVURJKSA-N 447.584 0.812 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705589173 OEHDRALPHAWFTN-INIZCTEOSA-N 430.534 0.407 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1708197336 FJXBXTCHIMMNAU-BFESSNOMSA-N 431.522 0.697 30 10 ICEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710615640 JXHCVPCNIRTZQZ-NYAYQYMKSA-N 443.508 0.761 30 10 ICEE COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1712030852 FPHHLFHTATWOGV-HOCLYGCPSA-N 449.537 0.801 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1722362898 CXJCDCBJANEPAF-ZBFHGGJFSA-N 430.534 0.961 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C1 1722719061 QCYHDMAIQIITCA-HUUCEWRRSA-N 429.543 0.163 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1723927439 CPDKGHIBXANNKR-KGLIPLIRSA-N 447.521 0.602 30 10 ICEE COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1729798039 XLMYQGQBPJQGCK-CYBMUJFWSA-N 434.478 0.582 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1740615816 LRPAOLCLFFRKMS-CQSZACIVSA-N 433.538 0.355 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740715951 QRWJTIJJPIQCAR-GOSISDBHSA-N 442.593 0.788 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C2COC2)nn1 1740724371 ATESLMXGWFBYQV-FZKQIMNGSA-N 434.526 0.092 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1740726249 ZWJPLSVTVJTLNI-MGPUTAFESA-N 432.550 0.936 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@]2(CCOC2)O1 1740899715 GUJSEFUCNPOJTD-JTDSTZFVSA-N 441.554 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1740994273 LZFLOBXVDCOPPB-UHFFFAOYSA-N 438.554 0.060 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1748717925 LXKQYFXPMXOAHO-DLBZAZTESA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1748989972 FAZBSNCHDQLQIU-UHFFFAOYSA-N 447.565 0.799 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749668699 CVEXWWOFBJBXLV-STQMWFEESA-N 430.431 0.589 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1760219511 GPMWOYWZBNEJRS-HNNXBMFYSA-N 445.492 0.356 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760524085 OWSCTJIKWJDHFM-SPLOXXLWSA-N 445.524 0.289 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760554201 VNQNQWJRBMYWKV-CQSZACIVSA-N 440.551 0.349 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1=O 1769056303 QZEVTBIUSDLLGC-JXFKEZNVSA-N 428.518 0.918 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)CC1=O 1854494420 HXVYLUSHYPHFQS-SJORKVTESA-N 437.562 0.582 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)C(=O)C2)C1 1856848929 AEXAYYMBRKMFHK-MOPGFXCFSA-N 430.530 0.390 30 10 ICEE Cn1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)c1=O 465234009 LNIBPHWACJXRHU-UHFFFAOYSA-N 429.502 0.820 30 10 ICEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 469938518 KLYANJSMEHQMJB-RDTXWAMCSA-N 430.486 0.911 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(C[C@@H]2CCCO2)c1=O 501993271 HAEJPXZAQUSAQC-HNNXBMFYSA-N 436.497 0.359 30 10 ICEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 544832355 CTWKALIRLOAZPP-UHFFFAOYSA-N 432.484 0.941 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 669818513 CREDMVQNLZAFTO-RWMBFGLXSA-N 439.460 0.953 30 10 ICEE CN(CCS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 732668956 CIHRBMNEHBKWLI-MRXNPFEDSA-N 430.527 0.448 30 10 ICEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 758182961 UYFSGCFTFHZVQK-SJORKVTESA-N 430.571 0.405 30 10 ICEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113202 VGTSSJSVOZIGGV-WMZHIEFXSA-N 441.532 0.969 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOCCS(C)(=O)=O 1286407226 GAZQIYPNOWTBEC-UHFFFAOYSA-N 433.490 0.140 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1286487134 DFQYQDMLADRLFJ-OALUTQOASA-N 448.593 0.757 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286789230 BDNUPFNOTMWLKV-MRXNPFEDSA-N 445.568 0.834 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCC)CC1 1286820199 GYHAIZJKMVJGKZ-OAHLLOKOSA-N 427.527 0.661 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300501318 JJCNJCKHMKKMQD-GOSISDBHSA-N 435.594 0.704 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300719901 UXISFQXMCFSHNO-DLBZAZTESA-N 425.493 0.241 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1316137185 DCTJVBKQCAMIEG-BZROSYFNSA-N 443.552 0.914 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1335647240 NJZOTVXCWXSMLH-UHFFFAOYSA-N 432.546 0.768 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358955705 RIWNDYRPFHNQDF-HOTGVXAUSA-N 446.533 0.977 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1359023979 CACZPGHTJOGHKJ-MRXNPFEDSA-N 443.595 0.247 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359222508 KFUKTJCIOFJHGV-KSSFIOAISA-N 426.543 0.340 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359292586 SUOJZLMUOQWXKN-INIZCTEOSA-N 442.524 0.385 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359296985 AMYDGCHEOPGOKG-UHFFFAOYSA-N 435.492 0.768 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3ncc(C(=O)OC)s3)CC2)C1=O 1462511595 GZOQPCXUKUMAGA-UHFFFAOYSA-N 434.474 0.688 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1519592454 DGYRZJJBFDFXKC-CYBMUJFWSA-N 425.902 0.662 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)CC1 1521423931 YKUROGPDWQPHMV-OHTQGHCMSA-N 434.522 0.267 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539179669 QWKCUDMJDIMGOJ-HOTGVXAUSA-N 444.565 0.750 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCS(=O)(=O)C(C)(C)C)CC1 1539431836 XDKDBLVZCZAURX-QGZVFWFLSA-N 441.598 0.971 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1540550494 RXATVTCKZPNQBG-ROUUACIJSA-N 429.427 0.860 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)C1 1540884634 SGFHVTGAJHLBLX-AVRDEDQJSA-N 449.552 0.960 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1540902191 CMVFAHUKZFTDLL-IRXDYDNUSA-N 425.555 0.878 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1589068410 BLFKSYPOJCBFNI-GFCCVEGCSA-N 441.501 0.976 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3CN(S(C)(=O)=O)C3)C2)C1 1617274203 GSVCLXFEGCWFHS-HVEKOLDVSA-N 426.539 0.781 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1645274782 WKNHPYHYVRITCE-RTBURBONSA-N 435.546 0.930 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCOCC1 1690039569 KTZBNGJLOIZMTC-UHFFFAOYSA-N 432.488 0.925 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCNS(C)(=O)=O)CC2)c1C#N 1693407233 UDGPVPDYSUQHRM-UHFFFAOYSA-N 447.569 0.335 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1711251309 DSZHWUPTQYZDMC-HOTGVXAUSA-N 436.467 0.763 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1729742900 PZAIMORQBYPDAQ-QGZVFWFLSA-N 441.521 0.799 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1740548396 GFLJGJUZUZLGPV-CQSZACIVSA-N 443.533 0.589 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740623653 YMWXMEPRZFFQIX-INIZCTEOSA-N 435.550 0.454 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1740644434 GBLYMJYRISFQCM-JCXSCKIOSA-N 438.488 0.601 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nnn(C)n2)CC1 1740690897 PSMDIAUXMOYTHO-OAHLLOKOSA-N 425.472 0.884 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1749119951 YRVIQRXXSXVQST-KKUMJFAQSA-N 447.583 0.104 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760165407 RESKGBMJHKKISI-VQIMIIECSA-N 425.555 0.670 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760530524 RKYUAWJOLUKUKE-JQZBISMTSA-N 435.525 0.689 30 10 ICEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760567416 ZTZXNIOPSNPASG-INIZCTEOSA-N 427.534 0.330 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)n1 1852835383 CWASQQQVTQELDT-SFHVURJKSA-N 444.492 0.989 30 10 ICEE Cn1cccc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)c1=O 1856348076 XMWCPVLLODTEEF-HNNXBMFYSA-N 425.514 0.877 30 10 ICEE CN(Cc1ccccc1)C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269075449 WKQNRRBWZVGTOO-HNNXBMFYSA-N 443.313 0.429 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NCC#CCOc2cccc3ccccc23)n(C)c1=O 90732975 BTMAMMRCOZJMPW-UHFFFAOYSA-N 431.452 0.786 30 10 ICEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccco3)[nH]2)CC1 253571811 PKRNFWGSPJRRDX-VXLYETTFSA-N 434.526 0.605 30 10 ICEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 478754298 NYKUDDBXYAYKCH-MRXNPFEDSA-N 427.530 0.648 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480940134 ZRFKTXWJZZTGIH-HNNXBMFYSA-N 429.498 0.633 30 10 ICEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CCO1 729981482 XULAZJLKNGPCBA-LBPRGKRZSA-N 444.307 0.835 30 10 ICEE CO[C@H](C)CS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 764192441 SPTCYUKEUVYEBD-CYBMUJFWSA-N 431.536 0.766 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 795077788 FMTRPVNKSISVJH-PXNSSMCTSA-N 428.537 0.002 30 10 ICEE COc1ccc(CN2CCCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 798744185 IAYCVHMCSYYFFY-INIZCTEOSA-N 426.477 0.997 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 800901175 PFLRVUOABINXCK-HNNXBMFYSA-N 448.588 0.528 30 10 ICEE CN1CCN(CCCOc2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1164596635 AJKHXUBHJSWNDM-UHFFFAOYSA-N 440.504 0.866 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](Cn2ccnn2)C1 1167398008 VIVXOJAUTABNMM-WBVHZDCISA-N 446.533 0.803 30 10 ICEE N#CC1CCC(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1191673087 UHZQVVVTOYGWQL-UHFFFAOYSA-N 426.564 0.970 30 10 ICEE CCCN(C(=O)CN1CCO[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1198210154 GCVNXVNPEOQLCW-QFIPXVFZSA-N 440.504 0.937 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1286369616 UJEFMMVRVOCRCP-UHFFFAOYSA-N 443.533 0.636 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286794161 YIGUWANZIXVJPB-ZMMAXQRCSA-N 435.525 0.689 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1301520160 CZHBICQEKRCWPB-YJBOKZPZSA-N 432.525 0.411 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301934710 AABSKFFQFGVXGC-QGZVFWFLSA-N 439.476 0.896 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1307966083 DAIUKENJZOXFAU-BBWFWOEESA-N 425.445 0.221 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1312711245 YFXJFPLDPYABFM-KGLIPLIRSA-N 429.520 0.894 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1=O 1314919584 HEYGYTHLDUSPLY-OXJNMPFZSA-N 428.518 0.918 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358893187 PKTLUXOHYCEZLJ-MRXNPFEDSA-N 431.500 0.985 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1358948982 QDNRGOAQNZATQG-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCOC)CC1 1359031876 SGDPCVVXJNNGFW-UHFFFAOYSA-N 446.577 0.987 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CC)CC1 1359047149 SUXYMFBYVDVZNG-LJQANCHMSA-N 441.580 0.851 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359332880 JFBODZBAJSDQJK-IRXDYDNUSA-N 427.571 0.540 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)C2)C1 1456026610 SXRLMDJUNFKUDC-QNBXZPKWSA-N 441.550 0.781 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1507651689 AFTQPYVJJIIYFH-SJORKVTESA-N 442.520 0.938 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCOCC2)CC1 1507719258 MCMIQWFQGVUQDI-JOCHJYFZSA-N 433.553 0.615 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1507800796 YEQLSAQYSQDMTQ-ZACQAIPSSA-N 441.554 0.429 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1512457254 SIQZXFXNEOWPPJ-MYDZZUQKSA-N 443.508 0.365 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1517457151 WXANWFTWLQHHRR-AWEZNQCLSA-N 435.492 0.846 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1539231440 SEVSSVWOTIWUSB-INIZCTEOSA-N 449.533 0.902 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539512414 CXXJWBFHEJOASD-KRWDZBQOSA-N 427.534 0.929 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539705495 WXALXHWJOSGHTH-RDBSUJKOSA-N 427.483 0.301 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1540870970 AWOVMYOAVBJGSA-AWEZNQCLSA-N 428.559 0.396 30 10 ICEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1598202469 HERDKKUXNVGNMB-HTAPYJJXSA-N 437.504 0.371 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634918994 ROWKACXOVZUNGM-QZTJIDSGSA-N 433.534 0.630 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 1643372322 GUGXNPQQKRZOPH-UHFFFAOYSA-N 440.323 0.561 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1655597300 ICAUDUFDUDYKMY-TZMCWYRMSA-N 435.321 0.897 30 10 ICEE C#CCC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1666006628 ZLGCUXOQDYFIKQ-UHFFFAOYSA-N 435.546 0.908 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689978495 WSAQEYJYPWSCDO-INIZCTEOSA-N 437.566 0.860 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1690111477 CGBBJANCINTJQH-VGOFRKELSA-N 430.553 0.768 30 10 ICEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697770319 SDQOLPATXPGKBV-INIZCTEOSA-N 430.488 0.994 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1698172837 YCODELWRMBQLQP-OAGGEKHMSA-N 427.527 0.698 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCCCO 1705495285 NQKNJMNYKBXTPV-LSDHHAIUSA-N 431.584 0.185 30 10 ICEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705518828 RXFRYMUYNAQMIX-SFHVURJKSA-N 436.516 0.828 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1705585105 KXVGCUMZTXYABX-UHFFFAOYSA-N 433.516 0.753 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1705621299 BLLVVSDRSAEFQK-HOTGVXAUSA-N 435.554 0.433 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCCO)CC1 1705763137 PAPXRLLROGSPJC-IRXDYDNUSA-N 426.587 0.892 30 10 ICEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1710467964 PZGNTHRKRJQDAF-RTBURBONSA-N 440.570 1.000 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722436304 CFNHMDOJTNCFQV-LJQANCHMSA-N 435.532 0.735 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CO)CC1 1722698377 FMCBWKPLHZCZOH-UHFFFAOYSA-N 440.552 0.963 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722700216 ATWSXNBQTUDEHT-QGZVFWFLSA-N 447.565 0.332 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC)CC1 1740704185 JRPXBUYZBCLHJC-UHFFFAOYSA-N 430.534 0.741 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1748690804 YENGFTYTMSJXHM-MZGQBZNISA-N 428.493 0.986 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1748751963 PBVCPHKILBPTLC-KRWDZBQOSA-N 434.566 0.931 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1748817231 GVVIABIFLOIIPD-ZIAGYGMSSA-N 432.955 0.559 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)CC1 1748979188 XNMLLVXXXNREGU-FGZHOGPDSA-N 433.553 0.879 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1748989555 NDEXOKNCMZLNFS-OTWHNJEPSA-N 435.594 0.997 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)CC1 1748990491 XSUVCRCQWDRBKR-OXJNMPFZSA-N 433.534 0.436 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1760185961 HRFCJSMDEJLJDW-OAHLLOKOSA-N 433.538 0.256 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760188274 JEDYNIUENQGQQW-GOSISDBHSA-N 425.518 0.943 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189199 SKOKORCTHBQPRS-FUHWJXTLSA-N 449.577 0.858 30 10 ICEE O=C(NCCOCCO)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933883 QSDCXRDNNOAAAK-KRWDZBQOSA-N 435.477 0.601 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 2282331326 MFONYINVMDCXLL-ZDUSSCGKSA-N 427.332 0.493 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2317606292 UDSMLIZRURRRDG-GFCCVEGCSA-N 439.322 0.384 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433896860 LJCJRDGFYVYXRW-UHFFFAOYSA-N 445.476 0.893 30 10 ICEE COc1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)ncn1 461178253 DVVPIPDZRVXINE-KRWDZBQOSA-N 449.471 0.911 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@@H]1CCCO1 507075186 BEKKXXYDNVKZKP-KRWDZBQOSA-N 445.516 0.802 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763435925 RBHWFPQNRMSEJC-MRXNPFEDSA-N 430.530 0.083 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)n1 790105403 HLCIUCIIRXLJST-UHFFFAOYSA-N 430.486 0.970 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1286390504 BISUPOPPGFZPBJ-LSDHHAIUSA-N 425.580 0.779 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1286430782 JSXDZZSNFDPLLZ-PMACEKPBSA-N 447.605 1.000 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1286781475 RPQNFUUBSADFGS-UHFFFAOYSA-N 425.493 0.728 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1314674211 MCRVBIGWRNMKLF-UHFFFAOYSA-N 443.533 0.519 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358939665 BNLCHZOYGHGLPT-JOCHJYFZSA-N 440.504 0.263 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1507517586 QNBWHSSWZWPIJL-ULQDDVLXSA-N 426.587 0.703 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508090991 QVORCOOKQZOOFH-SFHVURJKSA-N 429.569 0.981 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508092652 QPMPEPFIOFLPKF-UTKZUKDTSA-N 429.525 0.826 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1516805308 HHLLGRCKWUYRFS-HXUWFJFHSA-N 428.518 0.968 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539089622 OKODJABIBLQMQP-UHFFFAOYSA-N 449.537 0.470 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1588646411 JRDURBFMVRFJIA-DLBZAZTESA-N 441.554 0.124 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1595759423 FGRHVPJULXNABD-IHRRRGAJSA-N 435.572 0.103 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1595766807 XWAZYACFGQESMH-UHFFFAOYSA-N 440.547 0.786 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1632562853 RDNLSQFGYRLSBI-UHFFFAOYSA-N 426.267 0.989 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1638202138 DTDNHRGNUABQLH-DYVFJYSZSA-N 425.532 0.651 30 10 ICEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1665570869 WDFKZMVGPLUZIY-UHFFFAOYSA-N 430.573 0.755 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1689876921 MHBNTNYPBUXLCS-ROUUACIJSA-N 438.598 0.850 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)N(C)C)CC1 1690152196 BLMXYAYCQQYGGX-UHFFFAOYSA-N 443.552 0.235 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690169993 VOBDXYLTAZZABQ-UHFFFAOYSA-N 442.549 0.275 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690676680 AOMOGXJGUAHKAT-LAUBAEHRSA-N 434.541 0.537 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1705628633 LWSNROZYNCSRJK-SJORKVTESA-N 439.538 0.390 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705894796 LUGQIXDIACVKRO-INIZCTEOSA-N 440.570 0.335 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1711049273 AACWPUAKFAPWQN-UHFFFAOYSA-N 435.492 0.794 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)CCO1 1712883096 KZKBNRUHAJXRTI-LBPRGKRZSA-N 433.274 0.841 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCN(C)C1 1722423770 OEWVWUNBVXFQGC-QFIPXVFZSA-N 427.505 0.869 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 1729591435 BHYNXIJMTLBLSF-UZLBHIALSA-N 428.518 0.918 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1740551208 KRJMRKSKELRJQN-GJZGRUSLSA-N 440.570 0.231 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740615611 HVXYITNQLAXAIO-DLBZAZTESA-N 435.550 0.567 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740963566 OOIGFRPHHYUUMM-DYESRHJHSA-N 429.525 0.826 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1740966173 WJLDEZQDPALJKB-UHFFFAOYSA-N 426.525 0.698 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747997307 MDPFSCXKGAXSNW-ZPHPHTNESA-N 444.517 0.952 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749626131 QXOFWCQQKHJVPE-INIZCTEOSA-N 429.525 0.356 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CCOC)C1 1749722005 YPSNAPYRTOBQIE-INIZCTEOSA-N 425.555 0.978 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749734785 MWDLLUGDSGNFRZ-OAHLLOKOSA-N 438.554 0.550 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750021061 NIYNPQCTPAXKBU-IGGDJGDASA-N 443.508 0.413 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1760180667 JACHLPCHNFXNCP-LPHOPBHVSA-N 426.539 0.592 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)CC1 1760254076 NDWVKAIDIKHLOM-CVEARBPZSA-N 426.612 0.929 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760450106 DKJYURWREAZKFL-HOTGVXAUSA-N 430.513 0.907 30 10 ICEE CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1766618953 ALFZKUWCHRVNDU-INIZCTEOSA-N 448.549 0.852 30 10 ICEE CCOCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767984075 ROQKHNZLPASTJC-BFHZPYKDSA-N 443.508 0.398 30 10 ICEE CC#CC(=O)N[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)C1 1775942180 UOYRYOBQBZYACX-OAHLLOKOSA-N 445.501 0.364 30 10 ICEE CC1(C)OB(c2cscc2S(=O)(=O)NCCS(=O)(=O)C(F)F)OC1(C)C 2282500184 WEMSCMHEYVHESV-UHFFFAOYSA-N 431.313 0.963 30 10 ICEE CC(C)CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 515586020 BAPURQTYXLXACE-MRXNPFEDSA-N 427.548 0.850 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 590914083 VXAKZPIGFZJQRH-RHSMWYFYSA-N 445.516 0.882 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727418216 OWUNCNUTPRXQRS-UHFFFAOYSA-N 432.461 0.726 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 771125037 VWDMHTLCLMQTKZ-VBUUPXLYSA-N 437.522 0.604 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2[C@H]3OCCC[C@@H]32)CC1 780129909 FDSWFGDGQXURTA-LZQZEXGQSA-N 433.486 0.359 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 788059010 DMFBVCIKDWCXJI-UHFFFAOYSA-N 442.563 0.092 30 10 ICEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1134300822 BZBVIFOPVRHZQG-UHFFFAOYSA-N 441.527 0.983 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1286299099 SEBNQXMGZWHBQZ-SJORKVTESA-N 444.561 0.918 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1286419590 BBDBVXHLFNMAGF-RXAIFQJESA-N 425.580 0.652 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)N1CCOCC1 1300553319 DAXUYYIANXIETI-UHFFFAOYSA-N 428.537 0.908 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1301188125 GHDKPYVSJKOVDK-HNNXBMFYSA-N 431.584 0.618 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 1312359502 ZTJWGCZELFGCJF-UHFFFAOYSA-N 429.543 0.229 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1314629714 SBCCTSXIQUAPAV-RCCFBDPRSA-N 431.541 0.801 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1359000044 KRIMNZXAJYGFKV-IAGOWNOFSA-N 426.587 0.849 30 10 ICEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359049388 OAOJNNBELFCELN-QGZVFWFLSA-N 448.593 0.665 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 1359135825 PSGZIWLYUVLDQS-UHFFFAOYSA-N 426.543 0.075 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359333429 XMURFBCXLZZHJR-AWEZNQCLSA-N 444.517 0.918 30 10 ICEE COC(=O)C1([C@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CCC1 1456387645 BJONNHMRMOXNAM-VFNWGFHPSA-N 449.529 0.922 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)c1 1471800056 YYXDAQDMJNUYGH-OAHLLOKOSA-N 431.474 0.870 30 10 ICEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1505324950 HINGFRKPNKBEJK-FQEVSTJZSA-N 430.534 0.944 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507622029 ANECKFNTAXUAIM-FGTMMUONSA-N 449.577 0.692 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1507671936 SBPLHWBYGFLECC-GOSISDBHSA-N 445.549 0.279 30 10 ICEE CC[C@@H](Sc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1)C(N)=O 1538765196 GFQJNRZLVCVWEE-KANYHAFZSA-N 428.561 0.438 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1540865039 SOWUIVAIVAEMFC-KRWDZBQOSA-N 442.520 0.785 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1552728553 BXXGIOTVTKKUMV-UHFFFAOYSA-N 436.520 0.306 30 10 ICEE COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1555417069 GCIPENZUFCSLOO-KDOFPFPSSA-N 428.559 0.806 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1588170970 PMEFYXAVCYRHAM-KSZLIROESA-N 435.550 0.499 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 1588259119 RHRLDKCKXXNLQO-ABSDTBQOSA-N 436.534 0.015 30 10 ICEE CCN1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1615830241 DNIXLKWXGGAMEA-ZJYNUGOYSA-N 443.508 0.367 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1cc[nH]n1 1623471778 ONOLPXLVUYZEMR-SFHVURJKSA-N 429.477 0.883 30 10 ICEE N#C[C@]12CN(C(=O)c3cccc(NS(=O)(=O)C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1648155735 OKCDFWCTPXNMBI-SMDDNHRTSA-N 437.421 0.958 30 10 ICEE COC(=O)C1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1654466473 APJUKVLAKSPMIB-UHFFFAOYSA-N 434.518 0.298 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 1656289300 QZXXIPBBVQMQCO-GOSISDBHSA-N 442.925 0.914 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689873548 NCZPWEWEXFCQSV-UHFFFAOYSA-N 431.541 0.794 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689993973 OJKPHYGIFZHUHZ-IRXDYDNUSA-N 440.591 0.682 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1690699361 CXKQWZDCJZIZPD-JKSUJKDBSA-N 426.539 0.503 30 10 ICEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1696858641 HSORFLNSZCAWPZ-UHFFFAOYSA-N 427.490 0.745 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1697017765 IFJABZQHORAWIK-INIZCTEOSA-N 442.505 0.364 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567978 DSOZYEMZYHJUFI-SJORKVTESA-N 425.555 0.162 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)CC)c1 1722308688 DLCDAVKPFGEYOF-KRWDZBQOSA-N 437.504 0.764 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1722699466 UYEWYWDZCTZSMX-IBGZPJMESA-N 442.520 0.861 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1730930479 NPXAAFOMQWQEBD-XSWJXKHESA-N 427.527 0.290 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1740626903 NWZYWTBKOWVNOD-HNNXBMFYSA-N 447.565 0.647 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740957545 RNIVUAQJPYXMEV-QGZVFWFLSA-N 428.541 0.529 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740986895 KEYUPRPYNFPVHJ-UHFFFAOYSA-N 438.598 0.758 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1740987708 XUYLOJNIOXAPBR-PBHICJAKSA-N 447.583 0.106 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1749649855 CVJOPIKQELUGMD-UHFFFAOYSA-N 437.508 0.312 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749651140 OJKAMGWUYZUVSQ-AWEZNQCLSA-N 447.521 0.241 30 10 ICEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1749722868 QROZYFQDWMQHNQ-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749730428 DONPBTMNBVBDDD-HOCLYGCPSA-N 431.522 0.583 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760188805 MXDSYVGPWBNJJH-MRXNPFEDSA-N 428.522 0.661 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1760193978 AMXALIDVTJJFCE-HNNXBMFYSA-N 446.508 0.530 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2CC)CC1 1760260983 IOOGRWUYFFHVPB-UHFFFAOYSA-N 439.549 0.685 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1761580652 CSYFGHVCQZPBLW-GJZGRUSLSA-N 427.465 0.680 30 10 ICEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCS2(=O)=O)CC1 1770754164 CJMBZVJXPGQYTK-UHFFFAOYSA-N 435.554 0.566 30 10 ICEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCN(C)C1=O 1851236679 YVNZGEILTKHGBB-AWEZNQCLSA-N 430.324 0.973 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCN(C[C@@H]4CCS(=O)(=O)C4)C3)CC2=O)c1 1856403519 VLYOBVXZUNDSGG-HKUYNNGSSA-N 430.530 0.352 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc4c(c3)CCCC4)C(=O)C2)C1 1856851433 ZWJLLIXBAMODOU-LJQANCHMSA-N 430.530 0.777 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1 1865730065 XLFBNXYWLQIYNM-MRXNPFEDSA-N 438.484 0.988 30 10 ICEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255824447 IGCSKNOBFIWTDX-UONOGXRCSA-N 436.318 0.429 30 10 ICEE CN1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2267519694 KANKTVWRKWKMIL-NSHDSACASA-N 445.251 0.144 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1=O 2270542345 QHQZNGDQLGTZBH-HNNXBMFYSA-N 425.463 0.026 30 10 ICEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)ccc21 471056144 NEDDEXCKNMZXRL-SFHVURJKSA-N 425.489 0.751 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 565111434 MGKFCOREWFVLAL-MRXNPFEDSA-N 448.553 0.304 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 575207551 NEBQBXUCKAAESO-KRWDZBQOSA-N 435.509 0.524 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)COc3ccc(C#N)cc3)ncnc1-2 729460599 VRFJERVINIZQFZ-UHFFFAOYSA-N 430.266 0.978 30 10 ICEE N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1C1CC1 732914170 MJMVRIXIBRJAQQ-PKOBYXMFSA-N 440.552 0.664 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCCSCCO)CC1 783622264 GYBDCGJUDGQICF-UHFFFAOYSA-N 429.589 0.850 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790012917 ZHVZDAOAVAWVQT-AWEZNQCLSA-N 434.453 0.972 30 10 ICEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 799253087 OEFMGFNLALDTSG-VQIMIIECSA-N 425.489 0.742 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 800778058 YTKZWIQNALXTHQ-GFCCVEGCSA-N 429.934 0.820 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 802138287 DLEZRPIYKAIZBI-LJQANCHMSA-N 444.561 0.415 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](O)C1 1152293812 BAXWRHWOGKPADK-IRXDYDNUSA-N 437.518 0.960 30 10 ICEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1212406650 BOCMCASFZGXTGI-GJZGRUSLSA-N 428.555 0.977 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286380895 FEARFSHLQDOWJK-ZWOKBUDYSA-N 439.582 0.507 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286398836 QURGZTUBMHKTPN-QAETUUGQSA-N 426.539 0.664 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286496131 NZYHROKTJDIUHJ-HDMKZQKVSA-N 443.595 0.639 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1286547305 OBXJWRXFYHWCMY-SJLPKXTDSA-N 434.541 0.693 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286814317 PJXYSNYACCZIOO-MRXNPFEDSA-N 435.554 0.194 30 10 ICEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300362380 OTYXGXFPAUCWRD-KRWDZBQOSA-N 427.513 0.311 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(C)=O)CC1 1301588028 ZXQPOXUONNAOEG-UHFFFAOYSA-N 432.550 0.970 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCN(CCC#N)CC2)C1 1313275172 NYOWTENJNTVYJN-MRXNPFEDSA-N 443.570 0.651 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCS(=O)CC1 1316567666 PAMJHUPNPYBPQY-FBMGVBCBSA-N 427.490 0.435 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359056294 CGOSEZSMOPGVTD-OAGGEKHMSA-N 428.580 0.787 30 10 ICEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359081047 NHDUHOINRULFOK-ZDUSSCGKSA-N 432.282 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359333089 OAFOLYXUWUGWRU-LSDHHAIUSA-N 446.595 0.642 30 10 ICEE C#CC1(O)CN(C(=O)[C@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1456810032 LSIRPFZNMYRURF-FQEVSTJZSA-N 433.464 0.976 30 10 ICEE C#CCN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1471938058 AHBNUMKIMOIGOL-AEFFLSMTSA-N 425.938 0.678 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 1476071672 AJEOFMRIZVRENM-UHFFFAOYSA-N 436.523 0.001 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)SC)CC1 1507736517 QPDJYQLOVFTDGB-UONOGXRCSA-N 442.611 0.606 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)N(C)C)CC1 1507738680 VKGJMSGYQSQUSW-HNNXBMFYSA-N 441.536 0.922 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508090319 HAQQPPJWPPJJOO-HXUWFJFHSA-N 447.565 0.457 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508096372 GNMWFIQIYHEWKD-QKLQHJQFSA-N 446.552 0.896 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1517029423 JKJBONIJSIQCBZ-ZFDMEJTGSA-N 429.481 0.266 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1519161096 GVSJNCGZKFLXAO-FQEVSTJZSA-N 426.481 0.770 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1539202778 LEBCTXRQEXIKCC-CABCVRRESA-N 431.584 0.705 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 1561296334 JZRFYXZGXBNIOF-HHHXNRCGSA-N 430.527 0.284 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587831419 OITHGOABMOPCMR-KRWDZBQOSA-N 426.506 0.958 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588025227 WDUMMQQRQWMQFS-ZIAGYGMSSA-N 445.492 0.467 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)N2CCOCC2)CC1 1588955395 WSLMGKAMJAXRFF-UHFFFAOYSA-N 442.564 0.835 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595569981 SPQMSGKXBKLIMV-IBGZPJMESA-N 426.521 0.707 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1 1611710869 GTDGUTHQEHQSAN-HZPDHXFCSA-N 425.559 0.493 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1 1627380524 BIFSVVIBXYBUOP-CYBMUJFWSA-N 432.424 0.896 30 10 ICEE C#CC[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1628850098 ULICGAHJUKKAJX-JSGCOSHPSA-N 435.424 0.118 30 10 ICEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1640163227 FAGQKFBTRKMVHJ-ZDUSSCGKSA-N 431.474 0.750 30 10 ICEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1641521461 PNSNDPNZFSGPOF-PXAZEXFGSA-N 439.266 0.713 30 10 ICEE N#Cc1sccc1N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1643810936 GQSLZKGWUZMYAD-UHFFFAOYSA-N 433.559 0.748 30 10 ICEE Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C 1645267793 NHECNIXMEGHMGP-YJBOKZPZSA-N 425.532 0.369 30 10 ICEE C#CC1(O)CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 1651161415 CDYKDWQHSXHKEZ-UHFFFAOYSA-N 445.497 0.562 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1653072614 HPVAYSGCOFZYMS-GDIGMMSISA-N 427.523 0.535 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 1663863646 IMVACJQOQMQCJD-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C(C)=O)CC1 1689847839 JPBYBBNBNBDYBA-OAHLLOKOSA-N 427.509 0.628 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690653201 HRXMBWGTXSNMLO-NRFANRHFSA-N 432.525 0.387 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1698484513 KYUZSWFVBVESLH-RBUKOAKNSA-N 440.504 0.827 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](COC)OC 1730476107 DTCZYKDWQQBMSP-KANFNMMFSA-N 434.541 0.840 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1740624482 HIEOQVXMGQAHNE-KRWDZBQOSA-N 440.533 0.550 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC(=O)N2)CC1 1740702947 BMXOEZRELYUZII-VGSWGCGISA-N 444.536 0.175 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1740951892 PTMUOQMUQWKHJG-UHFFFAOYSA-N 442.480 0.506 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740957455 ONFSTAIZGNZKPD-VQIMIIECSA-N 440.552 0.564 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1748283061 CSLSEVPXXCMMPM-YCRPNKLZSA-N 425.493 0.818 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760518075 IARRZACQYPAJOE-INIZCTEOSA-N 425.493 0.812 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN2CCOCC2)CC1 1760523400 XAMCDFBQFKVQER-UHFFFAOYSA-N 426.525 0.586 30 10 ICEE CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1767336513 CYEQWWAANWIMRB-HUUCEWRRSA-N 442.542 0.155 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768659683 HHGGXNYACORCSX-XLIONFOSSA-N 431.518 0.840 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1769488448 FAUGQFHRQVZPAQ-GOSISDBHSA-N 426.477 0.527 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@H]2C(=O)NCC#CCN1CCCCC1 1851017330 JNBBUSQJUMSUBR-KRWDZBQOSA-N 439.578 0.874 30 10 ICEE N#CCCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)C1 1856019232 RBAWHOFPBBWVBL-LBPRGKRZSA-N 427.387 0.202 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596603 HXBQLIQCGQRWBH-UHFFFAOYSA-N 443.552 0.969 30 10 ICEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCOCC1 439634537 KSHKTBOHHRDOTI-QGZVFWFLSA-N 449.533 0.212 30 10 ICEE CN(C)CCn1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n1 446186952 BRZOTAXVWFIDNT-UHFFFAOYSA-N 425.493 1.156 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C#N 489077070 QCTZWYVCEZVQCE-UHFFFAOYSA-N 431.499 0.829 30 10 ICEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 523988183 OBBGLMUZVHJIDB-UHFFFAOYSA-N 427.486 0.754 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 525777968 SRUYDYSFXHTDMG-UHFFFAOYSA-N 438.509 0.579 30 10 ICEE CN1CCC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)(N2CCCCC2)CC1 564488894 NLXUFAIFFSJIIU-UHFFFAOYSA-N 433.578 0.903 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC 729670469 SSDCICSWHCCSJF-UHFFFAOYSA-N 425.514 0.623 30 10 ICEE CN(C)C(=O)CCN1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731480114 AQHRNACFAHSFRK-UHFFFAOYSA-N 449.577 0.564 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1)[C@@H]1CCS(=O)(=O)C1 759383089 GOALTQCVEAYQKP-MRXNPFEDSA-N 428.532 0.439 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 772276340 CGJFZUPCEZPDKZ-MRXNPFEDSA-N 427.530 0.661 30 10 ICEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782933996 OUQDVAJAWOXAFY-MRXNPFEDSA-N 444.565 0.972 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccn(C)n1 819525706 OIDOFBWUSZMDTC-CQSZACIVSA-N 432.506 0.628 30 10 ICEE Cn1ncc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1I 1156664780 SOFUWGOOKWRAJH-UHFFFAOYSA-N 445.242 0.813 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@H](CC(N)=O)C1)CCCC2 1196640158 UESVXCRQTNXMPI-HZPDHXFCSA-N 429.521 0.932 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)CC1 1286472272 RNSVDEFPDFXYGH-JMGYQRAPSA-N 444.627 0.191 30 10 ICEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286615555 PVSSIOJQRBCMQN-QGZVFWFLSA-N 432.525 0.650 30 10 ICEE C=CCCn1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)nn1 1293002702 OAESBAWPEAXKBU-UHFFFAOYSA-N 432.550 0.899 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1299147802 QTBCCQXSCVSTIR-ZBQKJFDRSA-N 429.481 0.023 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)nc2)CC1 1300710843 NOSRTRDMXTZPOO-HKUYNNGSSA-N 439.520 0.300 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959275 FSPQWSGTMAKCPP-KKSFZXQISA-N 446.529 0.732 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)CC1 1359035247 OZZFOAIRFOBAOR-KRWDZBQOSA-N 431.610 0.812 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359091156 JRRFSTZESCXXDC-MPTYRVRUSA-N 440.570 0.536 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1359299397 DHBDWAMWVNZADK-HNNXBMFYSA-N 447.540 0.631 30 10 ICEE N#Cc1cc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1 1448867868 SSJSKXQPNROKGH-UHFFFAOYSA-N 441.513 0.883 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 1478551149 RXCUCBJYWJKWAG-JKSUJKDBSA-N 443.570 0.569 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507589221 UXKBRCYNBMTRNN-ZNMIVQPWSA-N 439.494 0.139 30 10 ICEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1507604220 YVFFBMCJCMTHTG-UHFFFAOYSA-N 429.477 0.899 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1507654374 ZYQJSNPADOUBGF-KRWDZBQOSA-N 428.474 0.197 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1507984131 ULNIAAMJYQTWJB-ASHKIFAZSA-N 433.600 0.780 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1540902169 BZGBZTOUQWAEJO-JKSUJKDBSA-N 441.554 0.460 30 10 ICEE COC(=O)[C@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1558484418 BPUGPSZEGFXTGU-QGZVFWFLSA-N 435.234 0.788 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(Cc2ccco2)c1C 1560177690 AQWPPWJPMGJYCU-JOCHJYFZSA-N 427.505 0.935 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 1588806585 WAQFKPJNEHIGIE-KRWDZBQOSA-N 425.468 0.762 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C1 1595723217 SYKZWEPZEIMMND-HOTGVXAUSA-N 425.555 0.830 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 1644281589 HLXISVQETQXVRE-UHFFFAOYSA-N 428.461 0.087 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1645273591 DYANYZDDVMLOBY-SJLPKXTDSA-N 435.546 0.442 30 10 ICEE N#Cc1cn(C2CN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)C2)c(=O)nc1O 1648028683 KDCIDKCUWBXJBX-SSEXGKCCSA-N 430.442 0.173 30 10 ICEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1648231458 ZJMLMONDOWWPAT-OAHLLOKOSA-N 444.536 0.150 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(=O)NC)CC1 1652307020 RDMXKJAAFNJTRL-KRWDZBQOSA-N 449.577 0.564 30 10 ICEE N#Cc1cn(CCNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(=O)nc1O 1686725866 YLBRWRPRKCLXQK-UHFFFAOYSA-N 434.403 0.435 30 10 ICEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)NC)CC1 1690369135 YZMFSYYGQLXXNP-UHFFFAOYSA-N 429.510 0.626 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690674857 IDBDIVBKHVPBGH-INIZCTEOSA-N 426.525 0.505 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1705632049 GOOPJYQMTDVGCS-UHFFFAOYSA-N 428.541 0.524 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2O)C1 1705934113 BLXIWRAUMATJAR-HNNXBMFYSA-N 432.506 0.493 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1712629309 AVTSJKYAWHNLGX-BBRMVZONSA-N 438.510 0.500 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC2CC2)CC1 1722432604 YQSNMVZGDSSUAH-QFIPXVFZSA-N 430.553 0.600 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722698676 KCPHTSAWXUKFMK-SFHVURJKSA-N 442.568 0.882 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740579284 MKYIOVGTLHLNEX-INIZCTEOSA-N 427.509 0.694 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1741131674 GYFHBYBSCDXXDH-ZIAGYGMSSA-N 439.567 0.906 30 10 ICEE CC1(C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1742006423 SVHCKTMAVDKQHJ-VHEBQXMUSA-N 443.508 0.542 30 10 ICEE CC1=CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1742486360 LTLNTSLTMUNXJU-UHHPSXQGSA-N 446.533 0.863 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1747974359 XWGKMGBKVIOIGD-INIZCTEOSA-N 445.549 0.717 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749671076 YPKPRAHQVLJJQI-QWHCGFSZSA-N 429.447 0.604 30 10 ICEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1750219070 FEXCWPYBJHAFTE-GZVCGHTCSA-N 429.543 0.923 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1760194916 SQDWEBNYVPLJNA-MSOLQXFVSA-N 436.582 0.318 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)CC1 1760258455 MIPXQQAZMPQSAX-UHFFFAOYSA-N 438.532 0.958 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1760324649 LYBCZRPQZKBKIV-DYESRHJHSA-N 446.552 0.677 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)CC)CC1 1760402610 OHTPPJVJCAINGE-INIZCTEOSA-N 440.570 0.492 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760516853 WRWZMPXOCBKAJW-IBGZPJMESA-N 433.601 0.935 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760524086 OWSCTJIKWJDHFM-SZNDQCEHSA-N 445.524 0.289 30 10 ICEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1771080675 IHNDCOKPXWTPRT-RTBURBONSA-N 442.520 0.755 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)C(C)(C)C2=O)CC1=O 1857454140 PEVDIXYDNJIVDR-LBPRGKRZSA-N 439.456 0.753 30 10 ICEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562116 NXUVCLOJPNVGQY-UHFFFAOYSA-N 427.553 0.509 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628098 CZAACNBEAKMZFF-KGLIPLIRSA-N 436.318 0.809 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2255751239 XMWYYLLIKAEMGN-UHFFFAOYSA-N 448.354 0.786 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066563 DRERUNOFBDTOEI-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE C=CC[C@]1(CO)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2272087351 WTPJOEKPXZIURM-LPHOPBHVSA-N 426.491 0.956 30 10 ICEE COc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C#CCN 2289477158 VCCHLNHSKQRAFS-UHFFFAOYSA-N 427.482 0.721 30 10 ICEE C=CC[C@H](O)[C@H]1CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906292 YFSYPWISRIJXKD-ZACQAIPSSA-N 426.491 0.796 30 10 ICEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)c1ncc(I)s1 2367815003 FMLZFBAJFXXSTO-PSASIEDQSA-N 426.301 0.950 30 10 ICEE C=CCNC(=O)N[C@H]1CCN(C(=O)C=C(C)C)[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 3839153 NATNRHQRJMWYLI-NSHGMRRFSA-N 441.532 0.620 30 10 ICEE CC(C)N(C[C@@H]1CCCCN1C(=O)[C@@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687025 OLBJCNUHHUXGNN-ROUUACIJSA-N 448.373 0.725 30 10 ICEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462090444 KGODNFSHDHAQGO-MRXNPFEDSA-N 440.508 0.830 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(C[C@H]2CCCO2)c1=O 501995071 RXDKBYWRXBNVLJ-MRXNPFEDSA-N 439.497 0.235 30 10 ICEE CS(=O)(=O)N[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 532574928 JGDHHOWAUYYPCX-CQSZACIVSA-N 448.505 0.078 30 10 ICEE C[C@H]1CN(c2cc(N3CCN(CCO)[C@H](C)C3)c([N+](=O)[O-])cc2C#N)CCN1CCO 577522615 OYPXYNNFRRXSSV-DLBZAZTESA-N 432.525 0.472 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C 767880363 MVSMVNCFUYGMFK-UHFFFAOYSA-N 426.523 0.930 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 772280566 VWUQCCRWNJCLAW-QGZVFWFLSA-N 439.541 0.948 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)s1 1143202000 CMBQRYNNENPNGS-MRXNPFEDSA-N 434.561 0.171 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CCC#N)CC1 1152068702 NKFIOKASUFLKHB-GOSISDBHSA-N 436.534 0.774 30 10 ICEE C=CCNC(=O)Cn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286778487 BHAQOJJVZHTLIS-HUUCEWRRSA-N 436.513 0.639 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286964392 AHYGATHZFQONAC-QRQCRPRQSA-N 436.520 0.854 30 10 ICEE CCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1294196913 SGMJNOCPYZZVIO-HFUDNHEJSA-N 436.538 0.943 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1297739587 KGARKSFTAIAJIO-HOTGVXAUSA-N 426.543 0.572 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300761723 DZHPJKNVZJSCKW-INIZCTEOSA-N 441.561 0.969 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301483846 XEAWTVBRNCVNGS-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301510493 YJMIHPCVPFEYQR-OAQYLSRUSA-N 442.524 0.188 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1302493579 ADIRUULUUURQSK-SFHVURJKSA-N 445.549 0.277 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 1311723606 OMYGFTJVPAOOMS-OAHLLOKOSA-N 435.506 0.499 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1313351512 GZJSCSKKYRAKGP-HNNXBMFYSA-N 443.570 0.427 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316101558 MTGRWFYWHYDPIZ-YJBOKZPZSA-N 427.527 0.088 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358964881 JGDIKAQTMAVKOE-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C2COC2)nn1 1358982250 PIEQQIGCNLWYIT-UHFFFAOYSA-N 436.501 0.554 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)nc2)CC1 1359040470 WFUDANQBOAKHGY-UHFFFAOYSA-N 439.520 0.834 30 10 ICEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCOC1 1360374104 NQFBZCBPSCXCLT-LJQANCHMSA-N 434.474 0.171 30 10 ICEE N#Cc1cn(CCNC(=O)COc2ccc(I)cc2)c(=O)nc1O 1453840985 HIGWWJUYZJJNGP-UHFFFAOYSA-N 440.197 0.620 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1 1467601826 XBIHRHWVZVLUSC-UHFFFAOYSA-N 431.522 0.179 30 10 ICEE Cn1ccc(=O)n(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1=O 1467728517 JRLQWCSAHKAEAH-AWEZNQCLSA-N 429.864 0.631 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505334759 DGXZIXQJGLVLHQ-MEUCICPISA-N 427.509 0.849 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508146979 GBVBHUSQIRICAL-UHFFFAOYSA-N 442.611 0.905 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1518642547 DVOSAQCLKFOKSC-AOMKIAJQSA-N 440.504 0.652 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1539125357 LCYQQLNYJOWDLM-SFHVURJKSA-N 438.598 0.802 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540869050 AFXQZHPYBMSIRM-FOIQADDNSA-N 428.497 0.017 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540872008 ZOQNKYKKLYEMTL-QGZVFWFLSA-N 439.520 0.510 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1540897643 OIWUXZYOHDBHDD-KGLIPLIRSA-N 435.572 0.104 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 1563829274 HYFPIWQOUMBZQH-HXUWFJFHSA-N 433.578 0.927 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)C1=O 1585329198 XFBFLWQUVLNPOO-UHFFFAOYSA-N 432.437 0.549 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1588574322 DIGWDUNEWBUOMK-JKSUJKDBSA-N 441.554 0.518 30 10 ICEE COC(=O)CN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1629734697 GMDPHEADCULCEB-MCIONIFRSA-N 429.495 0.182 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)CC1 1643372415 KKSPDLYDIPMXPF-UHFFFAOYSA-N 431.518 0.927 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689908082 WCAVQZVDCNTRCB-QUCCMNQESA-N 441.580 0.916 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689986550 SEFCBKLXYHBNAK-HKUYNNGSSA-N 444.561 0.688 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690671192 QQMWOSHKKQFQMC-ROUUACIJSA-N 445.568 0.217 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1692538340 HSONMTQDCRPUIL-GOSISDBHSA-N 442.568 0.899 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705565093 FXBAXCHIECGPBI-GQIGUUNPSA-N 435.550 0.671 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1705608246 KFMCVQJYWBOUPK-KRWDZBQOSA-N 449.519 0.875 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705934108 BFNQJBRRQIBTPT-OAHLLOKOSA-N 436.582 0.545 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706587939 UGLCUUBSXXWAMG-DCOQFNDQSA-N 431.497 0.415 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1722384382 PXJQSFVPZGDWDA-MRXNPFEDSA-N 448.936 0.781 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)CC1 1722438005 RPOGOPOPTZNVCT-KRWDZBQOSA-N 445.545 0.698 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1722671421 SDGBFEIQACGMDV-HNNXBMFYSA-N 440.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722692584 SAOUXZZLXUHHAJ-UHFFFAOYSA-N 431.541 0.700 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1730867666 FNLCASMYZIDAOU-LDBYXDLTSA-N 431.541 0.657 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1740640526 PGVUCVHRIKTSBQ-SJLPKXTDSA-N 434.566 0.167 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1748791194 PZZVYHKNLVZQHG-IRXDYDNUSA-N 426.587 0.657 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 1749143112 COQMUDWIMOQNFO-AWEZNQCLSA-N 449.599 0.230 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1751018654 PGGIWGRUPGMBKZ-IBGZPJMESA-N 440.570 0.998 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1760232731 CQBZXFCYCBUAQC-HNNXBMFYSA-N 440.570 0.233 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)CC1 1760256520 HPHHPUKCDRPYRF-HXUWFJFHSA-N 440.495 0.455 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCO 1761498726 INRJPAOZXOPRLI-HOCLYGCPSA-N 425.559 0.227 30 10 ICEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC3(CC2)OCCO3)cc1=O 1870562823 XRVLNKNOBITDDB-UHFFFAOYSA-N 447.513 0.895 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 464858510 SRRFCHMQINNVDI-INIZCTEOSA-N 439.545 0.905 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(OC)ncn2)CC1 555248670 YSSAPDVIZMYPPK-AWEZNQCLSA-N 436.542 0.590 30 10 ICEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O 603798459 LNGGEKCCQSWAAT-SFHVURJKSA-N 439.537 0.759 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 670207166 RQOYMHCFWZPPSV-BBWFWOEESA-N 441.554 0.571 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCS(=O)(=O)C1 729330859 GKQROKWSIWSEDF-INIZCTEOSA-N 442.534 0.875 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cnn(CC)c1 735069613 WTTLZGHFELYQIX-UHFFFAOYSA-N 439.545 0.751 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 744459931 GCPVWYPSDWXHCR-OAHLLOKOSA-N 445.501 0.896 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 751274610 GJNMTPXOKLWILL-HNNXBMFYSA-N 444.506 0.109 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 760849536 XYNSGFFEXFIVHL-HOTGVXAUSA-N 441.550 0.541 30 10 ICEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774147933 YGJGRIXNMFTKPW-ICSRJNTNSA-N 435.546 0.900 30 10 ICEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 795465148 JFHJINKZSMITJN-GXTWGEPZSA-N 431.467 0.114 30 10 ICEE CN(C)CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCS(=O)(=O)C1 1137189307 NDGMMOIJNNOXQH-CYBMUJFWSA-N 431.511 0.314 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1286469696 JNQPPXBRPDVONK-UHFFFAOYSA-N 444.561 0.645 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1286796405 RSRLCWKSEARVRI-HOCLYGCPSA-N 448.549 0.813 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286950122 CMDFHPIKHPCICU-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CC(=O)N(C)C 1291194601 ANURFHJNQBWPLW-GOEBONIOSA-N 425.497 0.595 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(OC)CCOC2)CC1 1301086697 NGIJIPRCXKJMLC-VQIMIIECSA-N 441.554 0.573 30 10 ICEE CN1CCN(c2ncc(Br)cc2NC(=O)NCCn2cnc(C#N)n2)CC1 1310744870 DLCWRGKOIMCXBL-UHFFFAOYSA-N 434.302 0.881 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1316209562 KPYRTLMZVZTRSP-ZWKOTPCHSA-N 435.573 0.757 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccnn2)CC1 1359040282 ODHCKWAHGUFLAH-UHFFFAOYSA-N 427.513 0.064 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1456958126 PQKUYWZWVBZHAO-GZBFAFLISA-N 438.506 0.069 30 10 ICEE Cn1nnnc1C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1460728632 ZVDUHUCGYJHBKT-LJQANCHMSA-N 426.500 0.938 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)s1 1468504798 NWTWPIHIFVXXTR-CQSZACIVSA-N 425.536 0.702 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 1477322278 JKQMZDKOCDIZQZ-UHFFFAOYSA-N 434.440 0.923 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CCO1 1505321504 BPXGOVWOPAGGDK-DOTOQJQBSA-N 439.538 0.495 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1507838107 ZMSKFVLFDMLFHV-HNNXBMFYSA-N 440.570 0.588 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508072749 SAMHNWNVPTUUPV-UHFFFAOYSA-N 435.529 0.776 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(C)(=O)=O)C1 1508110427 SNRZCMWEGNPITF-AWEZNQCLSA-N 435.510 0.256 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508140457 NYAACKALBGRPLL-UHFFFAOYSA-N 435.554 0.584 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1519150766 GFMATIKPCINYGM-KRWDZBQOSA-N 446.533 0.798 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540872869 CYZGNTFKLUFNPB-FQEVSTJZSA-N 438.580 0.782 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 1541927676 OHHKXCQILLFOPA-ZQIUZPCESA-N 430.506 0.526 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1543482284 FQDDSAJHTCKSDX-BBRMVZONSA-N 436.476 0.472 30 10 ICEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1=O 1558805300 JLCOZWLWKNCKKO-NSHDSACASA-N 443.847 0.919 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 1564816986 ZSXNBIPFCQQTCU-SFHVURJKSA-N 439.607 0.806 30 10 ICEE CN(C)CC#CCNC(=O)NC[C@@H](O)COc1ccc(I)cc1 1565496667 NTRBZUJTNGKEIP-CQSZACIVSA-N 431.274 0.895 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)CC1 1588750387 CSSOOLDQVGDNPQ-UGKGYDQZSA-N 433.553 0.879 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593625063 IFEVMLVNMXWRIG-OAHLLOKOSA-N 435.510 0.445 30 10 ICEE Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(C)c1C#N 1596757579 BIKKLBJMSMVGCX-MRXNPFEDSA-N 425.532 0.450 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1616825865 IKOTVOMCCFSHPZ-ZDUSSCGKSA-N 432.506 0.784 30 10 ICEE Cn1ccc(=O)n(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c1=O 1618821543 DNNLEUJHQMCMDS-BXFSZVDSSA-N 445.520 0.840 30 10 ICEE Cn1ccn2c(CCNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nnc2c1=O 1671577544 WGFLOFNJGLIYNP-MRXNPFEDSA-N 434.460 0.337 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1689945653 HCPDJTPMOBSUPX-VQIMIIECSA-N 446.577 0.573 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C(=O)NC)C1 1690237825 BBZGKPWYRHSGEX-MHORFTMASA-N 437.541 0.935 30 10 ICEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705666566 BOHUDHPLFBOVDJ-MRXNPFEDSA-N 432.550 0.423 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1705831002 ZQEVVPVJPUETIL-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)N(C)C 1722406968 DCMCMPDKXOGBTC-UHFFFAOYSA-N 429.510 0.272 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1731009974 GQZUSGYRYQAXIS-AEFFLSMTSA-N 441.517 0.827 30 10 ICEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740674551 LDQIWHQNTURGTN-FQEVSTJZSA-N 429.502 0.738 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740706263 REVZIKWXWVEPBR-UHFFFAOYSA-N 435.550 0.061 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1740955065 WFDWHAORPFRRDJ-UHFFFAOYSA-N 443.464 0.451 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1748790916 ONLQWJHJTPVYRA-KDOFPFPSSA-N 439.563 0.650 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1748979758 LLASXQQHOYYHDZ-QFIPXVFZSA-N 427.505 0.869 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2cncn2)nc1)[C@@H]1CCS(=O)(=O)C1 1760185765 CSDTWDDHCPJMPM-MRXNPFEDSA-N 426.506 0.491 30 10 ICEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1767496601 WJSVLAYKKHVMKM-MRXNPFEDSA-N 432.554 0.399 30 10 ICEE CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1770640714 HJQTUJIUVCZYCX-LXXYJFLHSA-N 443.508 0.617 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN2CCCS2(=O)=O)cc1 1770739951 CVMNSLMAFFDBMQ-UHFFFAOYSA-N 429.506 0.179 30 10 ICEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870354952 GYAICPLODDTXDX-UHFFFAOYSA-N 442.520 0.024 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)s1 477458967 YNJIZCCEYFWWHD-CYBMUJFWSA-N 431.539 0.941 30 10 ICEE N#CC1(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN(Cc2ccccc2)CC1 482713638 VZQLINTWIOHJHE-NRFANRHFSA-N 439.560 0.842 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 525675363 OSSHBXOFWLWMMF-UHFFFAOYSA-N 430.461 0.847 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 580576557 YUHWIOUXCQTHEL-KBXCAEBGSA-N 426.543 0.150 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2C1=O 605530132 DDVMZOWXMHPFNG-MRXNPFEDSA-N 426.473 0.132 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC 729670953 ABDLCCIFKMGZEV-UHFFFAOYSA-N 425.514 0.623 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@@H]2CCCO2)C1=O 730143736 DGTQNLYQDGGMQC-DLBZAZTESA-N 447.561 0.964 30 10 ICEE Cc1sc2ncn(CCC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(=O)c2c1C 732908407 KGHGWWDGIQUKJH-ZDUSSCGKSA-N 436.515 0.431 30 10 ICEE C#CCN(CC#C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 752303087 YNPVSFQYFOWBGN-UHFFFAOYSA-N 431.514 0.249 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 756749385 AGVUSWBIWDHWJG-UARSRXHTSA-N 439.538 0.949 30 10 ICEE O=C(CC/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 787674945 WEHCLYRQMHKAOO-PHPVRDBTSA-N 427.526 0.740 30 10 ICEE C[C@@H](C(=O)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1)n1cnc(C#N)n1 798745118 XPGDKEFFYDLHIQ-WFASDCNBSA-N 433.421 0.737 30 10 ICEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CC3(C#N)CC3)CC2)c1 815413539 VNDBGTXVIZRIRU-UHFFFAOYSA-N 433.486 0.959 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1252135467 IJHNIDSXOCYFQP-HUUCEWRRSA-N 442.501 0.803 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1290492843 YWPCOXKDYPTBDS-UHFFFAOYSA-N 435.322 0.866 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301610175 SMLKJCHLDZGWSM-ZDUSSCGKSA-N 433.538 0.669 30 10 ICEE C#CC[C@@H]1CCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1308067481 HYBUBYKGRNDNEU-QGZVFWFLSA-N 439.516 0.904 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(C(=O)N2CCOCC2)c1 1320305610 BIFAADWNNYSCOE-VHEBQXMUSA-N 427.461 0.485 30 10 ICEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1464400671 ORZPAQCLFKSDKZ-MRXNPFEDSA-N 442.559 0.647 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1507632253 KEQBKIQAEMMMKA-JKSUJKDBSA-N 433.538 0.816 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CC)CC1 1507737186 ZQKCTWUNVUREHT-AUUYWEPGSA-N 440.570 0.015 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)CCCC)CC1 1507737542 BJWNWWXXQISOQR-GOSISDBHSA-N 429.569 0.927 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1539178854 KWMKVTHQECKXQP-IBGZPJMESA-N 445.545 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539220818 LYXXMMQTSSDALP-JKSUJKDBSA-N 437.566 0.571 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539221849 RIOSNQBRDOLGPK-HZPDHXFCSA-N 433.538 0.468 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)CC 1539552649 YXXCEIPHEMBJOT-LJQANCHMSA-N 434.522 0.937 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)C1 1540884635 SGFHVTGAJHLBLX-GCJKJVERSA-N 449.552 0.960 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540897781 SEHPGMLCKWMOPF-QGZVFWFLSA-N 438.598 0.745 30 10 ICEE CC1=CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1542801706 WVMRQDBRSAJXIH-KIJUOZEOSA-N 446.533 0.863 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CCO1 1555994795 ZCFXNFZEXLLYBV-CQSZACIVSA-N 432.431 0.735 30 10 ICEE C[C@H](CC(=O)NCCS(=O)(=O)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1557453772 QTDNJWPHDSAZAM-SECBINFHSA-N 427.426 0.555 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cn1 1618399440 BSDFPNDHHNBRFP-CABCVRRESA-N 440.430 0.670 30 10 ICEE COCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O 1625121487 VIDRXZIJMJIYFU-UHFFFAOYSA-N 445.501 0.298 30 10 ICEE C=CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)nn1 1630446052 UTWQOMKQFYNFDW-INIZCTEOSA-N 439.925 0.967 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1Cc2ccccc2OCC1=O 1638350490 FGMOEAZYIIBBIW-INIZCTEOSA-N 435.488 0.990 30 10 ICEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)C(=O)OC 1642414776 CYIWWYAJVLFKJJ-KRWDZBQOSA-N 441.937 0.961 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCOCC3)CCN(C)CC2)n1 1681984605 KLJKWFVPQLAJLM-UHFFFAOYSA-N 432.569 0.471 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689980135 MEJGZHHOYXPGHV-IXDOHACOSA-N 442.538 0.044 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1690046548 DGCLIXXYPSARFH-GOSISDBHSA-N 445.549 0.279 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690655109 HHFZKCAEBGHVNG-OAQYLSRUSA-N 442.524 0.302 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1692774530 HFTBFMYYSNIXPY-GFCCVEGCSA-N 430.556 0.205 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705903200 RCGACJNDYYGCEB-SJORKVTESA-N 433.557 0.121 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705909224 QLJAXPUDNKBKBW-OAHLLOKOSA-N 426.543 0.340 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722368517 RPDPYFBSHISPJJ-HOTGVXAUSA-N 428.518 0.608 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722369460 ZPKRKWOPBMPYPS-HOCLYGCPSA-N 426.564 0.607 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1722724574 AJBZBBWFHLBMHA-HNNXBMFYSA-N 440.570 0.512 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1726638897 HVAYCFHGXNCBSQ-YJBOKZPZSA-N 426.477 0.811 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740708938 GKMYRRGYTXBGAH-HOCLYGCPSA-N 442.611 0.607 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 1740736315 QIWQVQCLIKULLC-XAMWDVODSA-N 438.550 0.544 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1740941985 YBJMIVWSYXOFFK-QGZVFWFLSA-N 441.554 0.597 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743814448 MQZPMLSBBKUYPS-GGNAOWBESA-N 428.497 0.532 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1748803438 YQNNSNXWUHVQSI-KRWDZBQOSA-N 445.549 0.346 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1749671048 YIRPLNOYHQHGBP-PBHICJAKSA-N 428.493 0.911 30 10 ICEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCS(C)(=O)=O 1750633402 RWVVLXFFGTWZFP-UHFFFAOYSA-N 434.522 0.998 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C(C)C)CC1 1760269142 ZQFMBQHDVCIJAA-SFHVURJKSA-N 429.569 0.925 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](OC)C(C)(C)C1 1760557471 MOIOUABYIIEUPZ-HNNXBMFYSA-N 425.555 0.863 30 10 ICEE CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764898779 HOTWJGXEEKEFJU-OZNQOIHVSA-N 443.508 0.195 30 10 ICEE C=CCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)[C@H]1C 1854273247 LHCKWRYESACCQE-OLZOCXBDSA-N 428.415 0.863 30 10 ICEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCN(C[C@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1856388306 VRLDVWCIJWDKSO-MJGOQNOKSA-N 430.530 0.352 30 10 ICEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712393 CVOZTAZGXKEBOF-UHFFFAOYSA-N 428.493 0.829 30 10 ICEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)c1 504949719 QFMNKUPRRGRWDO-UHFFFAOYSA-N 446.460 0.954 30 10 ICEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 506242124 ZKDVFUBEDFVZLC-UHFFFAOYSA-N 434.927 0.095 30 10 ICEE C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 533059733 DAKPTTIFSQUCJM-MAZHCROVSA-N 438.575 0.523 30 10 ICEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@@H]1CCS(=O)(=O)C1 533428754 BTTOWYRQGFLYSR-HNNXBMFYSA-N 447.517 0.821 30 10 ICEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546902696 MITZGJFWWYHTDY-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1=O 795671958 YFNUOKMYOMVZDD-CQSZACIVSA-N 445.442 0.282 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 804959369 CQLVHAZISKPSGM-NSHDSACASA-N 427.472 0.494 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 917925468 HBAFJDVAKUMEQP-HNNXBMFYSA-N 446.572 0.282 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1152967296 FPCPHEHMBNCNDN-IRXDYDNUSA-N 440.566 0.776 30 10 ICEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1n1cccn1 1251157144 VVPHPSKKQIJCHG-XHSDSOJGSA-N 427.465 0.781 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286350158 WHTPTEBKLKUNMZ-AWEZNQCLSA-N 434.522 0.114 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1286458799 BUHIOAXNGWJXEG-UHFFFAOYSA-N 445.343 0.671 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286786738 YOFRGVBIROSJDS-UONOGXRCSA-N 433.513 0.635 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286792953 NHFRLWISFJNJMS-HNNXBMFYSA-N 438.529 0.847 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300498764 MVYIHTFHMVKBQE-ZWKOTPCHSA-N 431.518 0.306 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1300689216 SRTAHJZJONRMMK-OAQYLSRUSA-N 445.545 0.259 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)CC1 1300706029 HBSWQETUMODCDT-UHFFFAOYSA-N 441.561 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301577555 QCSJKBMELFFTNG-QGZVFWFLSA-N 449.533 0.506 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cnnn2C)c1 1358903476 YCCOCWLJDAWNKF-UHFFFAOYSA-N 447.503 0.634 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358966574 ROTXIRQUVVLFKG-MSOLQXFVSA-N 448.549 0.182 30 10 ICEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1470255139 KEXSQIGZDWSTQP-YOEHRIQHSA-N 426.520 0.017 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507726587 BWNXZSIEVVKLES-HXUWFJFHSA-N 427.597 0.929 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)CC1 1507895888 DMGMUFPSUBTTEC-AWEZNQCLSA-N 448.615 0.619 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508140781 QQGLAJZJAFKKFW-SJORKVTESA-N 436.538 0.664 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1517064386 COHPOFDTWKZUNC-IWHJNQCMSA-N 429.481 0.152 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2nc(C#N)cs2)C1 1536602808 FBNHYXJEKJLKEU-PIGZYNQJSA-N 426.520 0.913 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NCC)CC1 1539428905 XNYUZKBBDHSHMI-UHFFFAOYSA-N 438.536 0.843 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540868460 GKJNSTTVOXEERC-UHFFFAOYSA-N 432.492 0.574 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1548337302 UHBREFGHCDSPMO-CYBMUJFWSA-N 437.526 0.931 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccnc(C#N)c3)cc2)CC1 1556464727 DIOHOSWAOOLHSP-UHFFFAOYSA-N 427.486 0.736 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1588054609 OKRQZSXQUVSIJA-GDBMZVCRSA-N 426.564 0.607 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cncn1 1588219118 LXMYUGFMDUWZQX-UHFFFAOYSA-N 427.472 0.947 30 10 ICEE COC(=O)CN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1629734698 GMDPHEADCULCEB-MGPQQGTHSA-N 429.495 0.182 30 10 ICEE C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1633263459 FQOHETAKHITJQR-CQSZACIVSA-N 445.501 0.970 30 10 ICEE C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(=O)OC 1638827410 UYLSBIVTKFQZKS-YJBOKZPZSA-N 449.529 0.751 30 10 ICEE COCCOCCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1644170793 KDWCAXAJVXSTCE-UHFFFAOYSA-N 438.550 0.313 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2nccn2C)C1 1650900387 NARXGWBGXIDHTJ-OAHLLOKOSA-N 431.518 0.603 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988776 WDYDJGCIWXFNNO-HOTGVXAUSA-N 445.549 0.667 30 10 ICEE C=C(C)COCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690313150 MGPJQCPXROUDCC-UHFFFAOYSA-N 437.570 0.986 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690673553 XSCHMPTYQOTZBP-JOCHJYFZSA-N 425.537 0.867 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1690675018 NQUPPTSTLOHDPU-IBGZPJMESA-N 431.522 0.274 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1690725693 YVMGMTUQMVMXGQ-UHFFFAOYSA-N 428.522 0.785 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1696577762 ATLIFELFZYRQAF-ZWKOTPCHSA-N 441.540 0.350 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705564978 DNHAXYQFVGAQLL-QGZVFWFLSA-N 427.534 0.624 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705634719 HCUGZJILZSYJFQ-NFBKMPQASA-N 444.580 0.944 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1705844282 ZHUFMSZXAGABRO-CVEARBPZSA-N 435.554 0.692 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705907629 SIQIQWFGEZCCDW-FQEVSTJZSA-N 428.497 0.473 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC[C@H]1C 1712563579 ZLLTWQOUEPWVEQ-GGPKGHCWSA-N 447.584 0.899 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1722727982 MFVWRBJZBMSLAH-RBSFLKMASA-N 428.580 0.873 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1740744737 FYILXVXCVDCDCG-RYUDHWBXSA-N 432.344 0.791 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1740951080 BXPCFKUXGQRVDA-HNNXBMFYSA-N 426.481 0.333 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1748845793 AFSWXCCJMQCVPJ-SFHVURJKSA-N 425.514 0.595 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNS(C)(=O)=O)CC1 1748995022 WPBHUVJSRIQVRS-UHFFFAOYSA-N 446.577 0.376 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760188153 IOOJJXRDQQLGTH-PKOBYXMFSA-N 434.610 0.808 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760190139 OKHQZARYQVVNTA-RXVVDRJESA-N 435.594 0.704 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1760346306 RQLAVPAIPYWEFY-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCO 1761498725 INRJPAOZXOPRLI-GOEBONIOSA-N 425.559 0.227 30 10 ICEE CC(C)C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCOCC1 1850333904 JEPPLAKUSZGFRY-SFHVURJKSA-N 425.526 0.971 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255621453 MYVXAMDPZOLISN-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255627982 BBWZCBXMXKVQOW-LBPRGKRZSA-N 436.318 0.809 30 10 ICEE CNC(=O)c1ccccc1C#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96348667 VKSNBGHMGHGWDN-UHFFFAOYSA-N 441.509 0.849 30 10 ICEE N#CCNC(=O)COc1c(Br)cc(S(N)(=O)=O)cc1Br 215914125 BQNGVYQSOUDTON-UHFFFAOYSA-N 427.074 0.878 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3cnn(CCC)c(=O)c3)CC2)CC1 581778808 GROAEIJJRMHBAV-UHFFFAOYSA-N 430.553 0.316 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763460436 IENJJJAZNBWLNT-UHFFFAOYSA-N 433.493 0.375 30 10 ICEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O 795469101 YGPTWFGLVDYGGK-KBPBESRZSA-N 447.922 0.628 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 917357039 ZGZLPUXCCHDVFU-OAHLLOKOSA-N 429.546 0.467 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 1175515050 PSDZAHTYRNHYCG-FXAWDEMLSA-N 446.573 0.598 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 1194335802 DVTYITMLHPIEHM-UHFFFAOYSA-N 433.943 0.740 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286456941 AVEWFXCSJTUMGK-FCEWJHQRSA-N 441.554 0.312 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286822017 BAYJIVIFIDVTAO-AWEZNQCLSA-N 435.554 0.808 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCN(CC)CC2)CC1 1300698139 OIYNVVMTJSNKLB-HXUWFJFHSA-N 442.612 0.402 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 1312050471 CMYXYUZDTDQDIQ-INIZCTEOSA-N 439.925 0.240 30 10 ICEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359457444 HYUQQQQBBKFKGK-OAHLLOKOSA-N 436.476 0.447 30 10 ICEE N#Cc1cn(CCNC(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)c(=O)nc1O 1479139173 NCGCOVBSXQJVEZ-UHFFFAOYSA-N 425.371 0.872 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1504964375 HRBJLVUZSPTJGX-OXQOHEQNSA-N 437.520 0.608 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)(F)F 1507713501 MDOIVJJHVNPIEV-UHFFFAOYSA-N 427.431 0.904 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507723766 TYBNIAFZDWPJDL-CEXWTWQISA-N 443.596 0.872 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508091475 UQCNICJLVSCLRB-ZWKOTPCHSA-N 447.584 0.859 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)CCO1 1521136359 DDLJHCQHWKJJAZ-MRXNPFEDSA-N 444.517 0.603 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCOC)CC1 1539430208 HKDKRLQDFCVOSJ-FCHUYYIVSA-N 435.569 0.861 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CC2)CC1 1539475458 GUZCWWQDOQAZRF-UHFFFAOYSA-N 442.545 0.883 30 10 ICEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1555987411 GXBWYZVQUNQDJH-GJZGRUSLSA-N 429.431 0.913 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1556503894 BBBZKZCNZOCKTH-WOJBJXKFSA-N 442.516 0.306 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588672952 IZCRXWMFSXQRBV-SFHVURJKSA-N 449.581 0.507 30 10 ICEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1622395491 AOKSJZAQHPKPKC-UHFFFAOYSA-N 429.296 0.555 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n[nH]2)c1C 1627713977 SASHXVNPLOUUEZ-ROUUACIJSA-N 448.549 0.304 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1630655372 GQTSFZJGCKNEKV-QGZVFWFLSA-N 435.889 0.715 30 10 ICEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC 1649638876 MYDDJXZOJKPZIZ-ROUUACIJSA-N 437.504 0.779 30 10 ICEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352255 GIEBOENVIQKZAH-AUSIDOKSSA-N 441.532 0.574 30 10 ICEE C#C[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C1CCOCC1 1674597557 WWTDLTLCSMJOAJ-PMACEKPBSA-N 442.564 0.980 30 10 ICEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1682496840 ICNJHHIMBCTWSC-DOXZYTNZSA-N 442.538 0.592 30 10 ICEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1684655211 ZELFEDGAQXXASK-ZVDOUQERSA-N 432.546 0.776 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1689852529 GYNSFRSPWABQTD-QWHCGFSZSA-N 439.567 0.531 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1689985711 AARRONFFBFTOSH-QGZVFWFLSA-N 448.618 0.959 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC(=O)NCc2ccco2)cc1 1698488984 NTNLYQWAGBRDCV-UHFFFAOYSA-N 435.444 0.574 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1708728543 AWTIJHNVCWYUOG-IBGZPJMESA-N 433.492 0.813 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)CCO1 1712884730 RDFBJJHLRCPZOQ-SNVBAGLBSA-N 441.370 0.413 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCNS(C)(=O)=O)CC1 1722438949 IOLHDQPITHMWRS-UHFFFAOYSA-N 430.578 0.872 30 10 ICEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)n1 1729587657 CMZAUJKGVVGTTA-GFCCVEGCSA-N 432.286 0.952 30 10 ICEE O=C1CN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1731225225 BOLACFDLBZDYJX-QURGRASLSA-N 449.515 0.916 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)CC1 1740692927 PNCKGRDEQZXDHD-UHFFFAOYSA-N 446.458 0.853 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1740720007 ONSFFMURODAKAF-UHFFFAOYSA-N 426.550 0.884 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740788817 XUUTVJAKQNKWTB-KSSFIOAISA-N 442.542 0.512 30 10 ICEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741004143 QGZVXEUZLLHCOQ-MRXNPFEDSA-N 427.534 0.330 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743814450 MQZPMLSBBKUYPS-IAOFPLEJSA-N 428.497 0.532 30 10 ICEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1749600942 SUHAWZQVTLQTPA-GOSISDBHSA-N 441.579 0.822 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCOC2)c1 1760125657 KMIVWBNRJKWJIX-JOCHJYFZSA-N 435.488 0.886 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCC(N)=O)CC1 1760148710 JUSOFZRUFLVKJN-UHFFFAOYSA-N 435.492 0.805 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760188294 JHXBSZAPQURWFI-VQIMIIECSA-N 434.522 0.111 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760190141 OKHQZARYQVVNTA-WIYYLYMNSA-N 435.594 0.704 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760548655 MKXRBEDCJPHPTE-IBGZPJMESA-N 438.554 0.817 30 10 ICEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856842343 NTTSBOCNDJRQIC-GOEBONIOSA-N 438.481 0.191 30 10 ICEE C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856874753 WFCYZVVRBQGROK-GJZGRUSLSA-N 438.481 0.191 30 10 ICEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2nnnn2C)cc1=O 1870246269 VRGVRTOOXWXNDP-UHFFFAOYSA-N 448.530 0.925 30 10 ICEE C=CC[C@@H]1COC[C@@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344312127 JDYXTERSBJQQFM-IXDOHACOSA-N 426.491 0.965 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1 525733881 DSLAIFZGTAUAQJ-IBGZPJMESA-N 428.537 0.588 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NC[C@H]2CCCO2)nc1C 586302762 IJDAFZHEPROCOO-YASQENCXSA-N 429.520 0.777 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 603798534 MZRVHNBSXKFTAV-MRXNPFEDSA-N 431.489 0.494 30 10 ICEE COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610531447 LFDPHIUEXPIYSI-UHFFFAOYSA-N 434.449 0.877 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 914993892 IRAXAHZJZZAXTK-AWEZNQCLSA-N 426.477 0.819 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1136407111 MYFVNPDLFDIAGB-AWEZNQCLSA-N 438.978 0.716 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1286390500 BISUPOPPGFZPBJ-GJZGRUSLSA-N 425.580 0.779 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)CC1 1286483659 SJIZXASHJSBSMW-UHFFFAOYSA-N 434.591 0.721 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286505223 WJTGPPJPOHZTCZ-QGZVFWFLSA-N 445.593 0.340 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286778810 BHNFJKQBKBVPJD-HNNXBMFYSA-N 449.533 0.888 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286955347 XBVCTJPYPBKTHD-OAQYLSRUSA-N 425.493 0.957 30 10 ICEE CCc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292526089 WIPQFRVDVDTFDP-XUTLUUPISA-N 435.488 0.970 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 1298372166 MINXHQRTQTVGGF-KSSFIOAISA-N 431.518 0.979 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C[C@H]1O 1299413510 OUSLSNQDQXIALW-HMFYCAOWSA-N 441.488 0.982 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300492069 LPUOFMXQJURHIO-HZMVEIRTSA-N 435.550 0.671 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300587786 YQJOKJTVGIFMGR-QFIPXVFZSA-N 442.541 0.890 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1301500193 JVDHJXKUWIWSKE-UHFFFAOYSA-N 447.540 0.631 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1301595167 OWRWBPGNJHMHFO-CQSZACIVSA-N 445.615 0.659 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CCN1S(C)(=O)=O 1316493163 FQJYKTQQXSXJNV-AWEZNQCLSA-N 441.521 0.464 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNS(C)(=O)=O 1358876204 DWGOVGUGFYFCDP-CYBMUJFWSA-N 437.522 0.978 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359126389 NWZGKDKTODOCKI-KDOFPFPSSA-N 426.543 0.197 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1359227726 JYMJCPABLUPUFQ-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]4OCCNC(=O)[C@@H]43)CC2)cc1 1471419859 QEDGFGXXLPLZDX-RTBURBONSA-N 446.529 0.465 30 10 ICEE CC[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1495516437 LVXGHTNQHLTRMR-IAOFPLEJSA-N 436.538 0.941 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1507537382 HYEMNXHHVJRPMD-IRXDYDNUSA-N 447.565 0.966 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507752514 ZSQYNENLRIJXIX-MRXNPFEDSA-N 440.577 0.891 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508071388 ITQINDPEYMYWHV-ZDUSSCGKSA-N 435.510 0.097 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](C)N(C)C)CC2)c1C#N 1511661205 CSHVYHSPVIXIHY-WMLDXEAASA-N 440.556 0.420 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NCCC)CC1 1539459304 CSBWHDFRVFEIHW-UHFFFAOYSA-N 443.577 0.941 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1548336078 VVGMZNSSZMMHMY-UHFFFAOYSA-N 436.563 0.715 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCn2cncn2)c1 1587696866 BUUUKUUZVXPNIF-UHFFFAOYSA-N 447.503 0.748 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588024984 QXPMYBCFUVWERG-HOTGVXAUSA-N 425.555 0.858 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1595466378 IAFASNFAMUTUJJ-AWEZNQCLSA-N 426.481 0.190 30 10 ICEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1598295166 GGGGMRNMIHFEMY-MSOLQXFVSA-N 431.541 0.486 30 10 ICEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1617377321 FSYWUSGWWHLPAS-UHFFFAOYSA-N 434.522 0.895 30 10 ICEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)CCO2 1646017999 DHCVSNDUBWFGKH-UHFFFAOYSA-N 433.465 0.449 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)CC1 1690111778 JVEHWEUXZYBZEX-AWEZNQCLSA-N 437.595 0.651 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1690345921 HDLRQAWWQORZJP-CHWSQXEVSA-N 432.934 0.078 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1690597066 IORHDRSCDRQCEP-OAHLLOKOSA-N 436.542 0.459 30 10 ICEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1690620405 ZYLUPXAGUGIXQY-UHFFFAOYSA-N 425.493 0.919 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1705583466 YTJAZJUOHUPTCX-JTSKRJEESA-N 445.520 0.811 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)[C@H](C)CCC)CC1 1705642369 RFYNYPUVIJGWCG-GOSISDBHSA-N 429.569 0.708 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705663949 HJPCFQCROTUBTL-SFHVURJKSA-N 432.594 0.925 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722369062 YCBCTVWMPUUFKI-JKSUJKDBSA-N 447.517 0.432 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740716525 SZCOKFDJOBLQOC-OAHLLOKOSA-N 440.595 0.504 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1740952027 SCUMEZSEWODSLK-HNNXBMFYSA-N 439.586 0.255 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H](C)C1 1740986669 DINUMFBSQOLSSN-KFWWJZLASA-N 433.600 0.971 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCS(C)(=O)=O)c1 1748692396 GMRUASBHRXHJKK-UHFFFAOYSA-N 441.517 0.779 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749369104 UVRXYSCCMMMXBF-LSDHHAIUSA-N 430.506 0.335 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1760174169 DWOMLLVTUZIVPT-SQGPQFPESA-N 437.566 0.886 30 10 ICEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1761395278 AUVASNICCDKJLK-MRXNPFEDSA-N 430.534 0.772 30 10 ICEE COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C[C@@H]1C 1855958563 DHSIDKXUVIIYIL-GJZGRUSLSA-N 434.518 0.746 30 10 ICEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856842345 NTTSBOCNDJRQIC-ZBFHGGJFSA-N 438.481 0.191 30 10 ICEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCC(=O)O)cc2)c1 1858978170 ZBMUPOSHPPYBQT-UHFFFAOYSA-N 444.469 0.993 30 10 ICEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N(CC)CCO)ncnc21 1873596246 NYEOHEXVSYZNTF-UHFFFAOYSA-N 432.506 0.861 30 10 ICEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247849448 ABRNATMOGZFUPQ-UHFFFAOYSA-N 425.295 0.643 30 10 ICEE O=C(N[C@H](CS(=O)(=O)N1CC[C@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270537165 ZSKNXKZPUSWYMG-HUUCEWRRSA-N 440.499 0.970 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H](N)CO)c(Cl)c2)OC1(C)C 2282874300 YMGAMCKPDVVLHA-JTQLQIEISA-N 425.143 0.891 30 10 ICEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 20424257 ULCKFWOSXRKWQV-KPSZGOFPSA-N 439.461 0.907 30 10 ICEE CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F 481049029 MPWFWVFVRGFMGD-UHFFFAOYSA-N 441.506 0.930 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2CC(F)F)CC1 513420630 POONUKLRJNNSGD-INIZCTEOSA-N 442.488 0.747 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cs1 514916363 KFNFWQAHLZREEE-HNNXBMFYSA-N 430.555 0.979 30 10 ICEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1nnnc1C(C)(C)C 543622936 ZQTTVPFJPOWOMS-AWEZNQCLSA-N 431.522 0.936 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 557345391 COWLSGCHLZJKDT-BBRMVZONSA-N 428.536 0.107 30 10 ICEE CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc21 732706810 QASFCHHJMXBFBH-INIZCTEOSA-N 426.477 0.293 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 802552325 SALYAZSPASNTHR-QGZVFWFLSA-N 448.549 0.922 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 917798567 CNTCPJSJIJUSFH-UHFFFAOYSA-N 432.509 0.779 30 10 ICEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]2C1=O 1132579873 LEAONLYMGPLKFF-CALCHBBNSA-N 430.486 0.032 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC(n3nncc3I)CC2)CC1 1174561749 AVVDADCGAYYLBI-UHFFFAOYSA-N 442.305 0.297 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1286780642 PPTJLZUYGHWTIJ-UONOGXRCSA-N 430.600 0.768 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1292889668 JSQHBAIHMFHXFJ-LJQANCHMSA-N 448.564 0.686 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1300480205 ZLZXHCOPKYZPRY-KRWDZBQOSA-N 442.545 0.893 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1 1302924502 NNUKBWCLBRKYHT-UHFFFAOYSA-N 448.549 0.138 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 1310252217 NQLJUBDZURUOGU-UHFFFAOYSA-N 425.486 0.279 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1314962197 CDRDKUNXIDTBSF-QAPCUYQASA-N 428.493 0.962 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)C2=O)cc1 1448849737 SXNDCCXZPFSTFX-IRXDYDNUSA-N 425.420 0.100 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]2CCN(O)C2=O)cc1 1468373999 HCBNDPLNWKISPG-GJZGRUSLSA-N 431.536 0.592 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 1471450798 JNIAEMSVMSTRHK-UHFFFAOYSA-N 448.526 0.693 30 10 ICEE N#Cc1cc2c(n(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c1=O)CCC2 1473092992 GBMXGZXNIQOXIA-UHFFFAOYSA-N 444.488 0.881 30 10 ICEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1505314833 BVQZWMBBNYTCTA-WBVHZDCISA-N 428.518 0.953 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1507542720 SCZRIALDSNERQJ-HNNXBMFYSA-N 430.534 0.749 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CC1 1507729952 MGHHJGHINPCACQ-GOSISDBHSA-N 436.582 0.556 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 1507820224 AYPOCEWCJXBZNQ-LPHOPBHVSA-N 443.570 0.819 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)C1 1508108387 GOZSYCPAPBCSCN-PBHICJAKSA-N 448.549 0.817 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539210944 IHUBSVVWCFGRRG-MRXNPFEDSA-N 428.518 0.493 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1539326100 RPTUFARNNXRCIH-SFHVURJKSA-N 449.577 0.891 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CC1 1539431841 XITLQSDIXYSLSY-FQEVSTJZSA-N 439.582 0.509 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 1539848127 LGVZXTMNSFBJHW-INIZCTEOSA-N 426.543 0.294 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540004633 CNGSNLXPTNTTHY-HNAYVOBHSA-N 438.554 0.294 30 10 ICEE COCC#CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1540619669 LDMDYNJCSNCAIT-UHFFFAOYSA-N 427.866 0.154 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1540917393 VGMDLMMWJOZLMS-CQSZACIVSA-N 429.568 0.988 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1565963597 SVAHGQJQNMKLNH-IBGZPJMESA-N 448.564 0.686 30 10 ICEE C=CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(OC)c1 1569039203 AKOKZBNGOWOFJD-UHFFFAOYSA-N 445.563 0.919 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1569560548 KIJOGAYEIKNRRW-HXPMCKFVSA-N 429.470 0.441 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588128513 NGDDZLVTGMYTAG-INIZCTEOSA-N 437.504 0.557 30 10 ICEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 1588262813 QDDMXSGKZARBNH-SREVYHEPSA-N 425.489 0.484 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1589663369 MDJPXUMMVOREDA-HNNXBMFYSA-N 438.558 0.673 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](C)C1 1595760878 UNDFUPBVGSWJGQ-ZNMIVQPWSA-N 433.600 0.971 30 10 ICEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1617696202 IIKOQIGLEPPMOR-MSUUIHNZSA-N 434.465 0.421 30 10 ICEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CC#CCN2C(=O)c3ccccc3C2=O)cn1 1620584007 DTVPMOXIJBEPRE-LJQANCHMSA-N 426.498 0.881 30 10 ICEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639822173 URSRIFKHNVNSQQ-SQGPQFPESA-N 435.502 0.715 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(I)cc2F)c(=O)nc1O 1641970934 UOVBAQRYQNFKPS-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE C=CCCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1656973371 BTACJRJUCPXNJF-IFXJQAMLSA-N 439.490 0.926 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1683072735 AWCBAJVQUIUUQI-RDJZCZTQSA-N 430.509 0.984 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(O)CCOC2)CC1 1690138198 VHQGMXSNUXRRBD-IERDGZPVSA-N 435.525 0.119 30 10 ICEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)c1 1693228665 AVXSNYKGVMZDOJ-KRWDZBQOSA-N 434.522 0.834 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCN(C)C1 1705593891 XLIWSVFTHGKRGN-QFIPXVFZSA-N 431.504 0.450 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722363220 ZJWHVZWGTGWPGW-IKGGRYGDSA-N 430.534 0.913 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)CC1 1722438493 YHJMTYXECTZIQH-GOSISDBHSA-N 431.566 0.531 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722692771 WIBSHNNTIAQDOF-HOTGVXAUSA-N 431.541 0.746 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740899716 GUJSEFUCNPOJTD-TXPKVOOTSA-N 441.554 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760552510 QKKYLGKUWHDOSE-UHFFFAOYSA-N 442.567 0.346 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760698326 GTEGSDJMSVUERJ-ZWKOTPCHSA-N 444.584 0.939 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1764675685 FBYFCLIQPLIFGE-OLZOCXBDSA-N 438.558 0.837 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(=O)N2CCOCC2)c1 1771531103 BRCHZJPXLWUGCR-KRWDZBQOSA-N 437.504 0.767 30 10 ICEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccncc3)[nH]2)CC1 253575799 VBEVJYIVDBXQCE-SRZZPIQSSA-N 445.553 0.407 30 10 ICEE CN(C)c1nccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 539404954 YXHDPPHXHWEYTC-UHFFFAOYSA-N 429.506 0.630 30 10 ICEE CCC/C=C\[C@H](O)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](C)(C(=O)c1ccccc1)[C@H]2O 575416815 DWJJYIQZNKWPIG-XGGBTPKXSA-N 429.469 0.809 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 603826032 YPHDVMHPMHTQSA-UHFFFAOYSA-N 432.933 0.144 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 604003026 WQWHBRQYJSXIPB-UHFFFAOYSA-N 448.508 0.160 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CC1 728536113 JTVWOUCPEMLGNY-UHFFFAOYSA-N 434.562 0.372 30 10 ICEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 771546217 DYJQOQNFANUZND-APFMSCDFSA-N 428.522 0.359 30 10 ICEE CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1=O 916777755 RXLZLIOOPIMPJM-UHFFFAOYSA-N 426.454 0.701 30 10 ICEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1136317190 GLUJGSGAIKDOGL-FGTMMUONSA-N 437.543 0.323 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ncnn2C)C1 1153625400 PKNCSAVNKXVHMG-AWEZNQCLSA-N 432.506 0.142 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286503432 GCRFHDQQJLQTDI-UHFFFAOYSA-N 435.579 0.962 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(CC)C(=O)C1 1286822100 GVEYQKWOWUJFCB-UHFFFAOYSA-N 432.550 0.923 30 10 ICEE CC(C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287200132 BCFZEEAIWVIPOT-KIJUOZEOSA-N 442.524 0.968 30 10 ICEE COC(=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1295739370 KXTLQMRQYXYGEA-OAHLLOKOSA-N 436.534 0.601 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1299324641 UFGSAWWOQQCHFY-LJQANCHMSA-N 440.570 0.998 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300491737 IKQGBXWXUTZYDI-NVXWUHKLSA-N 429.550 0.845 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1300495899 KQGMQYUERXPREC-ROUUACIJSA-N 445.545 0.639 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501239 ICIKXFDYVYNAMH-MJGOQNOKSA-N 435.594 0.826 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1315753980 GETPPXQUWAKGLC-UHFFFAOYSA-N 435.492 0.725 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(C)c2)CC1 1359179261 PVFDIYVZVIOPHX-KRWDZBQOSA-N 435.554 0.795 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1360233875 PQYDEEUTEQYFRV-KRWDZBQOSA-N 441.492 0.757 30 10 ICEE CS(=O)(=O)N1CC[C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1435566797 OOIANSDMGSRWJG-ZBFHGGJFSA-N 433.490 0.161 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(CN3CCOCC3)CC2)s1 1446690164 AGNPTJLZPJORRN-UHFFFAOYSA-N 443.591 0.441 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 1460854821 ANIFNKONVCDTMF-OAQYLSRUSA-N 432.546 0.623 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507630241 VLLFKCJNARNOKQ-OAHLLOKOSA-N 431.518 0.717 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539220310 IHDXJHFIJOLHOY-GJZGRUSLSA-N 448.574 0.978 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1552379416 DLTHPJWWAJZSCS-HXUWFJFHSA-N 445.549 0.718 30 10 ICEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1555131969 FRFCZUWKXVDSRL-LBDPXKHJSA-N 426.543 0.822 30 10 ICEE O=C(N[C@@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1556782518 JWSNSTBMAHGGLO-CHWSQXEVSA-N 431.536 0.784 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1557144379 MELJFQXOHFOLGT-INIZCTEOSA-N 434.495 0.824 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 1562085253 HMSAJUZWWFLJCW-UHFFFAOYSA-N 433.534 0.930 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589070855 YMVGFNPKEQRIPN-KBXCAEBGSA-N 425.580 0.509 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1595722834 NSBXXKNVYOFCDH-BBWFWOEESA-N 425.555 0.987 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1595788643 FHBGTQRTKHZXDU-IHRRRGAJSA-N 447.583 0.088 30 10 ICEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1614389037 QLUQAQAMKQWDNO-AJVNXVRISA-N 442.497 0.930 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 1644281802 MANMJGADJMECQT-UHFFFAOYSA-N 439.515 0.203 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 1665179138 JASUIJQTGIVBNJ-UHFFFAOYSA-N 438.934 0.241 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1690019593 MQJFJIXQUJTAIX-MRXNPFEDSA-N 448.574 0.691 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1691003213 DUQIYQGDUXPRHJ-IRXDYDNUSA-N 437.614 0.802 30 10 ICEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)c1 1697523262 RYENQHMCBDWZMD-QGZVFWFLSA-N 435.506 0.744 30 10 ICEE C#CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705537333 BSHAFZVRXDBQQJ-UHFFFAOYSA-N 435.554 0.781 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705565431 UPPYNOIDYKFEJX-CYBMUJFWSA-N 438.460 0.348 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CCCO)CC1 1705763136 PAPXRLLROGSPJC-IAGOWNOFSA-N 426.587 0.892 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1712696416 AMWWUFFUQZROTC-HUUCEWRRSA-N 445.567 0.124 30 10 ICEE C#CCN(c1nnc(CC)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722368441 RQEHJAYTYXRUHN-OAHLLOKOSA-N 428.580 0.825 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1722402911 GXXHMJKMOYEGJU-UHFFFAOYSA-N 430.534 0.952 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722462340 MEINFKRPFFGZKQ-ZWKOTPCHSA-N 432.594 0.924 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CCO1 1722844309 RQTFNZILSPOXQO-LJQANCHMSA-N 428.493 0.557 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723624045 RDNSCAAUESFJTE-WKSPDDFDSA-N 433.538 0.884 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1729409080 WWINEKDACBPYKO-INIZCTEOSA-N 431.522 0.677 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1740615877 MXEYLWNFJLOGNR-KRWDZBQOSA-N 443.529 0.895 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1743385530 HWQIUNOXZJCQCN-OYHNWAKOSA-N 440.504 0.970 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1748732397 ZLTLELRKQPRLRQ-CQSZACIVSA-N 431.584 0.705 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1748848871 WCUMLQTYWOQYJP-HXUWFJFHSA-N 434.468 0.770 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1751228854 ARZWWEQDYSRLRX-KGLIPLIRSA-N 434.526 0.126 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760190464 QUUFOTLPOLGGBM-RTBURBONSA-N 445.545 0.696 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760210585 UEUCVVVRIVTQSS-ABSDTBQOSA-N 435.550 0.689 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760272477 LTASLBGSVKPSPG-AWEZNQCLSA-N 428.584 0.301 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760356054 FCIJNQKACMDZCE-INIZCTEOSA-N 428.497 0.409 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1760373758 BJVGHHNBJQHYQU-WMLDXEAASA-N 447.945 0.359 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1760555135 YAOXPXAXJVVUNZ-HNNXBMFYSA-N 442.567 0.114 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1763226871 RSDHPKNSIORJOX-YOUCSZFUSA-N 429.481 0.371 30 10 ICEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC 1765553804 FWCUTKMILBCNRA-ROUUACIJSA-N 437.504 0.779 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1772566527 CTMBAPMOSJIBKP-LSDHHAIUSA-N 444.565 0.871 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CCC)CC3)OC2=O)CC1=O 1856739755 ZEDVIENSPSEZSJ-HZPDHXFCSA-N 427.523 0.820 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 1858310048 PFXKWVDIOPHAQS-ZIAGYGMSSA-N 444.435 0.991 30 10 ICEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(CC)CC2)cc1=O 1870559965 DNGZIRAXJVTKBE-UHFFFAOYSA-N 444.557 0.694 30 10 ICEE Cn1nnc(Br)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1970897584 VOUKFOBJOABAOT-VIFPVBQESA-N 435.304 0.711 30 10 ICEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#CCO)c1 2164498708 VFXHFTDJRQABKG-FQEVSTJZSA-N 431.445 0.613 30 10 ICEE CN(CCOCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247950794 GJERCFNXXUPCJE-UHFFFAOYSA-N 436.343 0.952 30 10 ICEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255839361 UTBJNANDYHODQD-HXUWFJFHSA-N 436.318 0.781 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CCN1CCOCC1 530315553 VIEBUCDCSNCHSK-UHFFFAOYSA-N 448.495 0.429 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545547867 PLTIHYMRPWVPCU-UHFFFAOYSA-N 427.486 0.783 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@@H]1CCCO1 609450134 BKFNCYYHUSBYJF-INIZCTEOSA-N 445.516 0.802 30 10 ICEE C[C@@H](Oc1ccccc1C#N)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729208144 WMAVRSXHASAXEM-MRXNPFEDSA-N 439.472 0.420 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 745494831 BSYUQEVJWKUPDJ-WFASDCNBSA-N 445.501 0.894 30 10 ICEE C=CCNC(=O)CN1CCN(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 753833502 KILISUCBCYAJEF-UHFFFAOYSA-N 425.580 0.554 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 803849273 ZVNSVGZMCVSABN-UHFFFAOYSA-N 428.470 0.784 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1132004526 ITIDEZYGZLSXJP-LSDHHAIUSA-N 432.543 0.740 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NN1CCS(=O)(=O)CC1 1147896359 AYTDQFASDISTOV-UHFFFAOYSA-N 428.536 0.047 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 1222199250 HQWLUEKRPRSBMJ-UYAOXDASSA-N 449.577 0.071 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1299027310 WGTHZKWYHBCIEG-YJYMSZOUSA-N 432.506 0.656 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)CC1 1300712444 SNJNUGKMDZHMEM-AWEZNQCLSA-N 449.537 0.199 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301491541 SOIXBWXPEPPNEA-UHFFFAOYSA-N 440.552 0.633 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358961798 FKFBUYGTZMRYNP-HNNXBMFYSA-N 429.568 0.112 30 10 ICEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNS(C)(=O)=O 1359532886 GLLLGRNGOOWQQU-UHFFFAOYSA-N 433.538 0.951 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)C1=O 1470705339 UOCMBTXKTLMFOW-SFHVURJKSA-N 438.278 0.836 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 1475620534 LHWBGEDPCKXNBH-UHFFFAOYSA-N 437.927 0.131 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1507632354 ZLQBNJDMDRNECP-IRXDYDNUSA-N 433.534 0.937 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508080896 FRZAJIHZQJBXKZ-INIZCTEOSA-N 449.581 0.694 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539612268 KBXOZAPMSRDZTN-BBWFWOEESA-N 432.525 0.447 30 10 ICEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539771025 SISSSICZWGDUOA-UHFFFAOYSA-N 435.916 0.194 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1587856732 QMNNEJCDQUZMPT-YJBOKZPZSA-N 426.564 0.609 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1608362454 ZUTKGTAKVJOENU-FQEVSTJZSA-N 436.465 0.202 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1617688619 SLANEJPOSFSRMT-HZPDHXFCSA-N 431.555 0.898 30 10 ICEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 1685415790 TZLNDPKLGWKBCB-UHFFFAOYSA-N 437.913 0.906 30 10 ICEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1687180892 COLXMAZYLXYWKU-GOSISDBHSA-N 437.504 0.203 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689993316 AUWJHELJQGYIFS-PXNSSMCTSA-N 447.586 0.759 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1690206307 NIOUIZMABIDUQY-ABSDTBQOSA-N 435.550 0.948 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1696494822 PLGNUTFBKOTMSJ-KRWDZBQOSA-N 427.506 0.285 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1705568793 VKEBKQMJKDNNGK-DLBZAZTESA-N 438.550 0.985 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1705628289 CCAPCEOMUDZPTF-IAGOWNOFSA-N 439.538 0.042 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1705907142 BGAYNULIDZWICS-LJQANCHMSA-N 442.568 0.600 30 10 ICEE CC(C)(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706184765 RQGXDUIZQUGVCM-KBXCAEBGSA-N 444.533 0.868 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724014281 AFDDBFMAFGQQOI-OXJNMPFZSA-N 449.581 0.812 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740616127 SYQRPAQPDXDADN-INIZCTEOSA-N 446.533 0.794 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740624201 DMXGZNOLPBLXCX-XLIONFOSSA-N 431.518 0.042 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)CC1 1740696201 OCFUHFPGPMWBIC-WVDZOPJMSA-N 439.607 0.237 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760259040 FZAUTOBBMJIGGW-WOJBJXKFSA-N 443.596 0.480 30 10 ICEE CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768591102 ABEWRXLHQSSCBX-STGLLQLASA-N 445.524 0.659 30 10 ICEE CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1769182965 FVZXGJSTPYQGOO-ORAYPTAESA-N 449.512 0.738 30 10 ICEE CO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771322177 ZIEJAEGQWGBUHD-ZFDMEJTGSA-N 429.481 0.266 30 10 ICEE CCN(CC)CC#CCNC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 1850995882 OLACVRMVWLEOKL-MRXNPFEDSA-N 427.567 0.730 30 10 ICEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1 1851990489 GSZHEZFRBVXKCJ-UHFFFAOYSA-N 436.394 0.640 30 10 ICEE COCCN(CC(=O)N1C[C@@H](CN2CCC3(CC2)C[C@@H]3C#N)CCC1=O)S(C)(=O)=O 1857280837 FDLQQXLDLLLWHX-IAGOWNOFSA-N 440.566 0.285 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669454 DLOOMABESJEBQV-BPUTZDHNSA-N 449.313 0.660 30 10 ICEE C=CC[C@@H]1COC[C@@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310018 JDYXTERSBJQQFM-IKGGRYGDSA-N 426.491 0.965 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)c1C#N 472267262 DJCWHXDTMGJWTD-AWEZNQCLSA-N 434.497 0.755 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 512708215 RGFVKLCSEMCEND-MOPGFXCFSA-N 434.566 0.677 30 10 ICEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 728880311 FFZOKVHQNZVPCP-HNNXBMFYSA-N 447.561 0.317 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 790106076 PPGNMOCDNUUKQG-FQEVSTJZSA-N 431.537 0.205 30 10 ICEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 858004480 ASLMGQBMNUQWBD-JQPIKURYSA-N 440.456 0.984 30 10 ICEE C=CCn1cc(C=NNc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cn1 1084316349 HNFXCLCOFZOTJT-UHFFFAOYSA-N 441.481 0.069 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1152967297 FPCPHEHMBNCNDN-SJORKVTESA-N 440.566 0.776 30 10 ICEE C#C[C@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCOCC1 1161673222 CPTKUWHAIPXXGR-IBGZPJMESA-N 435.546 0.992 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286507697 BTQZNBPVMMFZIV-HZSPNIEDSA-N 426.520 0.661 30 10 ICEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1300299408 MATAJFNOTWWBOA-HUUCEWRRSA-N 437.518 0.668 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300494062 XYXJZWZUHZQRCU-CYBMUJFWSA-N 435.506 0.403 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCOCC2)CC1 1300727335 XGVPCTBRTNKNTF-UHFFFAOYSA-N 438.532 0.771 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccn(C)n2)CC1 1301125649 PQPHXYNANZHGBL-QGZVFWFLSA-N 435.554 0.795 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCc1ccccc1 1303865429 ADKPZQODJGXTRE-WBVHZDCISA-N 434.522 0.834 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1314629712 SBCCTSXIQUAPAV-KZNAEPCWSA-N 431.541 0.801 30 10 ICEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1314813020 FJTVZYLDRIJSHJ-MRXNPFEDSA-N 434.522 0.751 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960891 NOBOVVIBVWJJED-SFHVURJKSA-N 444.561 0.689 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359302592 MJCFXGKQCPNKTD-QFIPXVFZSA-N 436.520 0.781 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1539201312 ZWCXHXCWARYRPE-KRWDZBQOSA-N 437.566 0.694 30 10 ICEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539752354 KSYXPRQPNNIPHY-KRWDZBQOSA-N 425.493 0.004 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540875604 QZYPRVTUEHBFIC-QFIPXVFZSA-N 440.504 0.884 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595797704 HXVCZRXWNFEZMC-DLBZAZTESA-N 441.554 0.114 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)ccc1F 1624140727 RRRJNLLGEHAZDV-CQSZACIVSA-N 427.498 0.999 30 10 ICEE N#C[C@@]12CN(C(=O)CS(=O)(=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1646440088 WWHPCRNNZVXIPQ-NHYWBVRUSA-N 447.332 0.620 30 10 ICEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)C1=O 1661659577 MZYYNJQVGJLPQM-QGZVFWFLSA-N 429.564 0.923 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689930796 ZMYQPGAOEZHDCO-RDJZCZTQSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689994262 VEJPWRBSXIEOSW-QGZVFWFLSA-N 430.534 0.417 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1690527488 PCHJSQGGNMGBGR-INIZCTEOSA-N 449.537 0.772 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1690976035 QXPDTOFRLKKNPX-GOSISDBHSA-N 436.520 0.954 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705728941 DMIZWKROWSRAHH-INIZCTEOSA-N 440.570 0.625 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705902447 FIAISMLDKFOCSX-HOTGVXAUSA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1705934460 NHBKEBQRQCSZGR-MRXNPFEDSA-N 445.549 0.552 30 10 ICEE CCN1CCN([C@H]2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)CC1 1710288786 UCQAVVSRKIWHCQ-NRTINQSCSA-N 428.541 0.329 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1711273706 FQJWDIURAKQRIQ-PMACEKPBSA-N 448.524 0.857 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1722295227 JPPVGAKTKQTAPE-SJLPKXTDSA-N 429.546 0.997 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722366660 SBNMGAMOBVATKM-FCEWJHQRSA-N 426.539 0.592 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNS(=O)(=O)CC 1722397555 KXSMEQJCMKJNDM-UHFFFAOYSA-N 446.533 0.798 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1722451208 GZTJSLQKSUIRJN-CYBMUJFWSA-N 430.600 0.606 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722698857 NRTBXJUQYIMGGN-GVDBMIGSSA-N 434.541 0.452 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722706643 WIKIXJLJQJTXBU-OAHLLOKOSA-N 441.492 0.382 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1729738845 BNNCMVWSIMAMCP-UHFFFAOYSA-N 445.549 0.718 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1740611049 SCIGTADIZQAOAH-INIZCTEOSA-N 434.522 0.522 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1740685666 JRGJHWMIGNBVFN-OAHLLOKOSA-N 441.554 0.791 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1740960710 YKKGDDTYNPEHFG-IAGOWNOFSA-N 438.598 0.651 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1740991907 HZMUSHJITNYRIN-MAUKXSAKSA-N 441.579 0.911 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741108904 KPLQHAGNLOHLAZ-ZBBYCGENSA-N 443.508 0.098 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1748781070 WHVZQCUYVQLSCG-UHFFFAOYSA-N 425.474 0.994 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1749019614 AUFXZVASACANSB-UHFFFAOYSA-N 443.533 0.587 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760275149 QTNUDQPTNCWURB-LSVZVQIISA-N 427.596 0.852 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1760301019 QFAAKHAFPFLMRO-LLVKDONJSA-N 447.359 0.608 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760556717 NYNSSMRPEVOUTJ-GOSISDBHSA-N 448.549 0.206 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1O 1767920016 JUGGXDCWLGPJIP-SAJUPQAESA-N 441.488 0.717 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3OCC)CC2=O)CC1=O 1854000063 AUANAQFKRQEIDO-HNNXBMFYSA-N 435.502 0.479 30 10 ICEE Cc1cccc(O[C@@H](C)C(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856918398 DCXKZWHNWVXKEM-DLBZAZTESA-N 434.518 0.361 30 10 ICEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2255613645 CLMXRUHJYVNRLV-NOOOWODRSA-N 433.236 0.850 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654754 CJZGVCALXXVKPI-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE COC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294837 SFUNBGLQHNXFCG-KRWDZBQOSA-N 436.534 0.568 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)C1 109871344 SKQODTMEIWERTC-OAHLLOKOSA-N 435.550 0.896 30 10 ICEE C(COC[C@@H](COCCCOC[C@@H]1CO1)OCCCOC[C@H]1CO1)COC[C@H]1CO1 256758167 SOHMVTGXMYTRAT-BURNTYAHSA-N 434.526 0.821 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 480468958 JHFGEOBJWIABBN-UHFFFAOYSA-N 427.552 0.077 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCNC(=O)C1CCC1 508825433 FDYZMRFXFUEGJQ-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1 524464420 OMTQZUAYZYLAPW-UHFFFAOYSA-N 427.505 0.692 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 555238269 JUHGAPVLLMMYLO-TXPKVOOTSA-N 441.554 0.571 30 10 ICEE CCN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)CC1 563234391 RDLYXHASTJVBCB-UHFFFAOYSA-N 442.545 0.690 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 729330660 CSFYYRDDZBGZIH-FOIQADDNSA-N 433.486 0.111 30 10 ICEE CN1CCCC[C@@H]1CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730559579 HKPKELQCBXATOK-QGZVFWFLSA-N 433.578 0.744 30 10 ICEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 732795762 WVUCAKWYXPTFRO-QGZVFWFLSA-N 441.557 0.992 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cn1 735067860 AELTULFVFOZFAX-UHFFFAOYSA-N 427.530 0.477 30 10 ICEE CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 743908359 DAMPYHCKJJQVPQ-FQEVSTJZSA-N 440.548 0.450 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751826051 CXKSNOVBYNSCRG-UHFFFAOYSA-N 427.555 0.950 30 10 ICEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 774220207 YLNNUSAJVAOVPP-CYBMUJFWSA-N 427.495 0.083 30 10 ICEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 806399129 FIFGEGAEBYUHCH-KRWDZBQOSA-N 436.516 0.905 30 10 ICEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C1CCOCC1 1131468239 BPFWEONBHBIPHY-HXUWFJFHSA-N 433.530 0.698 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)CC1 1205862770 QINZMOOTFQQJCF-UHFFFAOYSA-N 436.519 0.831 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CC2)CC1 1286490090 LFCPKWBBGGEDGG-SSEXGKCCSA-N 427.534 0.612 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1286778680 CXSSWNPWKHMQQB-AWEZNQCLSA-N 428.559 0.443 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286790465 FMZWGSPNPHJVBY-QGZVFWFLSA-N 431.585 0.912 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc[nH]n1 1290312161 DBMVWNFYOZWPQL-KRWDZBQOSA-N 429.477 0.711 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1301425398 VHZOFQNQFGCCAT-CABCVRRESA-N 425.555 0.734 30 10 ICEE C=CCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1301473674 HJBIYPSPFLZWKX-OAQYLSRUSA-N 427.509 0.937 30 10 ICEE CN1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1314928536 ODOLJQQOFMTDTN-FMQUCBEESA-N 436.476 0.069 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1318132471 QRXSLSLTRIUNQB-NRFANRHFSA-N 440.481 0.583 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCC2)CC1 1359044669 LNDDPXFLYMSANV-KRWDZBQOSA-N 427.553 0.679 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359047961 ZSXZHHJNPFYSAF-LJQANCHMSA-N 445.612 0.806 30 10 ICEE Cn1cc([C@@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1463163525 OHKJVWFHQONXSG-JTWUUNPKSA-N 433.534 0.505 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507633963 HLDMKONDZLDXOG-IBGZPJMESA-N 428.562 0.986 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508087916 QSTWKCTWQDYWGS-MRXNPFEDSA-N 429.525 0.513 30 10 ICEE CN(CCN1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1517327690 FDCNYQRYYMMMPU-ZCXUNETKSA-N 431.541 0.870 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539498300 RTTGOVBNQYJHMC-GDBMZVCRSA-N 437.595 0.431 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1555818436 ZKCIMQMPHNSDAM-CVEARBPZSA-N 429.506 0.081 30 10 ICEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1565143868 UYTBWIUGNYKAFC-ZVDOUQERSA-N 431.562 0.382 30 10 ICEE N#CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1588263806 YJLCUEMAILHLKK-HOCLYGCPSA-N 440.909 0.048 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1588581317 NKSVYRXZRJVGOF-LPHOPBHVSA-N 426.539 0.451 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)CC1 1588813781 ZYNLYLSMHWOGOB-OALUTQOASA-N 434.610 0.667 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595884572 NNZVQQPNCPLQNU-LSDHHAIUSA-N 440.595 0.655 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613341037 BLBIHAAIONKYDF-HJUNTIBCSA-N 429.481 0.959 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1615952379 CLKAAGMZUQEUSG-MSUUIHNZSA-N 444.540 0.954 30 10 ICEE Cc1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1638598143 MMRUIYVMCZWRTB-UHFFFAOYSA-N 449.533 0.443 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)n1 1675604002 RIHSMZQGTQEWGD-UHFFFAOYSA-N 425.555 0.925 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 1685143766 BRXIMZJOGHELFZ-CYBMUJFWSA-N 436.469 0.732 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689913543 PZKOPCJUKZLSNE-QZTJIDSGSA-N 438.598 0.850 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689993317 AUWJHELJQGYIFS-XLIONFOSSA-N 447.586 0.759 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1690019839 SLSNSWJQSLBEEU-CABCVRRESA-N 443.476 0.108 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1690077643 SVWXMPUGUSDEBX-QZTJIDSGSA-N 438.598 0.802 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)CC1 1690131015 QWJQPTWYOGXGIY-UHFFFAOYSA-N 427.553 0.462 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690678444 WGIIBIAKUBJYDG-LXZJYRNTSA-N 448.568 0.461 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1705477017 IFTRECUCNGTQPZ-HZPDHXFCSA-N 426.587 0.582 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705902104 GRHMYMGDKOFTIP-OAHLLOKOSA-N 443.895 0.048 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722365889 FRFWXQBKMVZETR-SJORKVTESA-N 437.566 0.919 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1722377094 OZBBRJMOSQKKSW-SFHVURJKSA-N 429.488 0.908 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722630356 YOCJGQSIOJQKCC-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1722704434 SZACYWJXZUYFMY-UZLBHIALSA-N 430.513 0.665 30 10 ICEE C[C@H]1COCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726743094 MRJUXEUDWVYMIS-HFUDNHEJSA-N 429.481 0.266 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1740550014 HLCWTQBFZZJUIR-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1741807230 HPVQEFLTOIPQLQ-OAHLLOKOSA-N 425.493 0.766 30 10 ICEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)COCCO1 1742013216 LDYDTUKHVPKYGN-OAQYLSRUSA-N 426.477 0.861 30 10 ICEE Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1742839438 WHIPZJJNLBPIEA-DNTCVELPSA-N 429.525 0.802 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O 1749137366 XVMHFLIUAUWRRJ-QAPCUYQASA-N 425.555 0.863 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1750034879 WQUVAXBPIHWSSR-UHFFFAOYSA-N 432.488 0.999 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1751985918 GGGNOJIQGQXZBJ-MAUKXSAKSA-N 426.477 0.811 30 10 ICEE CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1768247686 HTANYYITOLFWBS-UHFFFAOYSA-N 432.554 0.830 30 10 ICEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771366849 DPTPSUWREYQDKA-UHFFFAOYSA-N 431.522 0.705 30 10 ICEE C=CCN1C[C@H](C(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)CC1=O 1850196612 MIKFKEUQEPJCRA-MRXNPFEDSA-N 438.463 0.931 30 10 ICEE Cc1ccc(C(N)=NOCCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)n1C 1853427805 HUMYQKJCBBQGQK-UHFFFAOYSA-N 425.489 0.801 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C1=O 1854241936 SHXJFLXODUKRSL-ROUUACIJSA-N 433.530 0.697 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O)c(C(=O)OCC)c1C 1860761485 VRVJBMWFSKWZCX-GXSJLCMTSA-N 442.446 0.465 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628094 CXJUGUJMAFCTFY-HXUWFJFHSA-N 436.318 0.811 30 10 ICEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596513 JZHYGBYMPXVSET-MNOVXSKESA-N 445.251 0.786 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2315539191 STEBALJAOTUACY-QWHCGFSZSA-N 436.318 0.741 30 10 ICEE C[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1[C@H](C(=O)C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-] 16957655 KEHVWXQDJICDJV-BGLNDFDYSA-N 432.345 0.935 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 518811954 XXCJIRZGILLACM-MRXNPFEDSA-N 442.563 0.765 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 609495494 UPUPKFAJZYFNRD-QGZVFWFLSA-N 428.518 0.820 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 729330752 DMOAKQGKZBDTKX-QGZVFWFLSA-N 426.560 0.929 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669332 KZHXXKGRTAVTPL-UHFFFAOYSA-N 437.525 0.938 30 10 ICEE COc1ccc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 746859371 RETPJLJXQMDTPN-UHFFFAOYSA-N 430.486 0.863 30 10 ICEE CC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 758176905 DZHXXBONVMUIBH-HXUWFJFHSA-N 431.518 0.933 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccn(C)n2)cn1 760458993 OCBOWHBKSCBFRV-QGZVFWFLSA-N 446.581 0.879 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(I)n1)[C@H]1CCS(=O)(=O)C1 761145251 FQFNUIYLTLOCAM-JTQLQIEISA-N 434.255 0.957 30 10 ICEE C[C@H](C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)n1cnc(C#N)n1 1131436175 SOSSAKXUSOGTFW-OAHLLOKOSA-N 446.512 0.528 30 10 ICEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134275860 NHDNHPRHIOAREE-KSSFIOAISA-N 425.532 0.774 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 1152967283 DQPJFRPZLUSCFN-UHFFFAOYSA-N 431.474 0.073 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c(-c4cccnc4)ccnc23)CC1 1175514939 KXIALFBWSRPQAK-UHFFFAOYSA-N 425.474 0.017 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286485368 JESOHUNQQCCTBG-KDDVOAFDSA-N 425.493 0.411 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1286791233 VKVXSYPOVCGGMM-UHFFFAOYSA-N 430.513 0.720 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286820257 IJUDSJZRPAMYCN-CABCVRRESA-N 432.568 0.744 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286820791 RTWVRHVZTZQNKY-JKSUJKDBSA-N 425.555 0.865 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCOCC2(C)C)CC1 1300683421 NVSBOJIWFWEETF-IBGZPJMESA-N 434.585 0.868 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1300691163 XWKGNRRLEUITIB-OAQYLSRUSA-N 440.529 0.122 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1300899653 HXECCNODPXJONV-LLVKDONJSA-N 426.465 0.969 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1302495459 QBUVGOZQLYIGEE-DLBZAZTESA-N 443.533 0.471 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358956838 LIPKSAWHXCNFPW-UWVAXJGDSA-N 440.566 0.839 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[S@@](=O)CC)CC1 1359046520 VAXZBIALLHMHLH-PMERELPUSA-N 428.562 0.998 30 10 ICEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1465458463 CMXKJKUOKLYQNC-LBPRGKRZSA-N 429.399 0.860 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C(=O)OCC)c(C(C)=O)s2)CC1 1466381044 JMXYIOAMRJMRCB-UHFFFAOYSA-N 443.507 0.140 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1471718539 YVEXSKVPKHRLPL-OHRKKDJYSA-N 425.532 0.697 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1508130014 FYQGGFCKAXETPR-KBPBESRZSA-N 435.572 0.104 30 10 ICEE C[C@@H]1COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1512552738 FGZWFOMKMYRMBC-RVKKMQEKSA-N 426.518 0.343 30 10 ICEE COc1ccccc1-c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1518449556 LKJKZPVMCRHDCW-ZZEZOPTASA-N 437.460 0.416 30 10 ICEE CO[C@@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCS(=O)(=O)C1 1527274036 MGXCAPWGGMFZMH-STZPCZCHSA-N 429.520 0.642 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 1539219222 HDMVVLPNGQUWGB-SFHVURJKSA-N 444.561 0.747 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1540873091 MHAMBWKYJKTUEY-UHFFFAOYSA-N 447.565 0.667 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C1 1540882546 KHVCLNPFNFKHHP-SSWHHONOSA-N 431.584 0.581 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1587808315 PUUXOQMLQQAEKM-HNAYVOBHSA-N 435.554 0.787 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588891309 NOOHIZAIHCRGJU-JKSBSHDWSA-N 449.552 0.508 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1595602400 JLZAXIQBURVLIY-NRFANRHFSA-N 442.524 0.349 30 10 ICEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1619368248 FSOLRWLIFVJRLO-HOTGVXAUSA-N 447.517 0.974 30 10 ICEE C#CCN(CC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)C(=O)OC(C)(C)C 1638193707 SYNJLMRXBUTFSA-UHFFFAOYSA-N 434.537 0.819 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1645592439 YMWJYXAZCKFNJM-AWEZNQCLSA-N 430.490 0.378 30 10 ICEE N#Cc1ccncc1N1CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1684009455 LAXRCENYKHCVBT-UHFFFAOYSA-N 435.488 0.217 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1690175498 YPFVTXYKLWYPBM-INIZCTEOSA-N 447.590 0.663 30 10 ICEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1697975338 GJIXMFSYGJZMGZ-RHSMWYFYSA-N 430.506 0.480 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1705805885 QXQSOFBJGXTHFY-CVEARBPZSA-N 440.570 0.634 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1705938497 AGJCDTDPZKKIGG-OALUTQOASA-N 441.554 0.233 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1722294890 IHZOQLUGNMGEAB-WTCZBGTRSA-N 443.595 0.370 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722451654 MIEGHAFVBORTGY-KBPBESRZSA-N 449.624 0.268 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1729408696 IBZXOYWYSYTKBS-HXUWFJFHSA-N 441.517 0.736 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1730943238 VFUIYLZLIBVZTF-RDJZCZTQSA-N 428.497 0.895 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1740671394 GKWPHEBXLZBAGD-DNVCBOLYSA-N 437.522 0.571 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(C)=O)CC1 1740699504 JJSGPFIYRNHLDH-UHFFFAOYSA-N 429.550 0.551 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)CC1 1740706644 YWOVIIYOZDIWHK-INIZCTEOSA-N 444.927 0.745 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2cnn(C)n2)CC1 1740707113 PCHOBRHFHSMSBS-UHFFFAOYSA-N 447.547 0.991 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740716467 YNVNVVQKPUZPNI-INIZCTEOSA-N 442.549 0.812 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740954014 ZCJUDJQFBXDXGT-UHFFFAOYSA-N 441.536 0.514 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748791182 PXBPLLYFHZTBBF-FQEVSTJZSA-N 445.549 0.071 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 1749054292 RCGFLIBJZROIGR-DNVCBOLYSA-N 438.554 0.129 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1766943728 AERQWVXQNUXJKH-HZPDHXFCSA-N 446.489 0.822 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1769131718 KZXUYGKTUUJHHD-SHUBJWRZSA-N 438.492 0.685 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1770360438 GBGSBSQUBDHZQA-KRWDZBQOSA-N 442.505 0.409 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)CC1 1771564570 NDDAICQUYIPBSA-ROAZCBAYSA-N 434.522 0.615 30 10 ICEE Cn1c(=O)cc(N[C@@H]2CCCNC2)n(Cc2cc(N[C@@H]3CCCNC3)ccc2C#N)c1=O 1857522825 ZUTIWKFKZGQBIG-WOJBJXKFSA-N 437.548 0.795 30 10 ICEE C=CCNC(=O)NC(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195286351 JCBDMCDHOBNQHT-FOGNVHKLSA-N 439.490 0.905 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](O)C1 2255628880 ODKPEXVCAIRTFI-JSGCOSHPSA-N 436.318 0.809 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCO1 409481559 BOTRLZIFHMLPCE-KRWDZBQOSA-N 428.536 0.171 30 10 ICEE N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 523347450 SLCIWMUTZKMOOK-NRFANRHFSA-N 439.516 0.537 30 10 ICEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586863860 BZUIKFLGRIPWSN-IAGOWNOFSA-N 443.523 0.962 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)s1 603798580 MVMOCODZQRNOCR-OAHLLOKOSA-N 445.566 0.821 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)o1 603800686 XWHDEZHRYRZBBZ-INIZCTEOSA-N 429.498 0.352 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 728880994 PZNNAPZFDSAIIA-KRWDZBQOSA-N 446.573 0.803 30 10 ICEE N#C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)CCN1C1CC1 732678971 PTDMCJNOIRPFJD-RTBURBONSA-N 433.516 0.706 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1 749093619 DSJLNNRKNCWFES-QAETUUGQSA-N 434.470 0.163 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C2C(=O)Nc3cc4c(cc32)OCCO4)C1 749787742 XWCSBCZQGJLHGR-AWEZNQCLSA-N 432.477 0.604 30 10 ICEE C#CCN(CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCS(=O)(=O)C1 754645224 YAVHGJNUSQECCR-SJORKVTESA-N 426.560 0.770 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780931669 LAYPDONBUOADHC-HSZRJFAPSA-N 442.516 0.356 30 10 ICEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1196429059 CLPSNVORCRBLSZ-IAGOWNOFSA-N 435.546 0.883 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286339778 YUUXOXKJFQJUMC-UHFFFAOYSA-N 438.536 0.985 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1286463278 CXSTUPIFMYAPGR-FQEVSTJZSA-N 434.518 0.589 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286599538 ANMBSSDHVNWAFV-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286700114 KBGYWAYVFCWDFU-MRXNPFEDSA-N 436.582 0.547 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286819029 XBEHWKKZTBBGRH-OAHLLOKOSA-N 446.537 0.376 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1286822123 HIPURFUZGOYJDY-UHFFFAOYSA-N 448.549 0.160 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1297992694 HIGTYOCIEJIPHY-UHFFFAOYSA-N 425.493 0.909 30 10 ICEE CNC(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1299263086 KMVQZQHLDQGASP-QLFBSQMISA-N 433.513 0.914 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1300312202 YBKMCCXJSTZREM-QWHCGFSZSA-N 439.460 0.995 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1314551533 DUABZQNXRLPOFO-RLFYNMQTSA-N 444.533 0.773 30 10 ICEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1315536458 GAEUMIQSABODPM-GOSISDBHSA-N 442.476 0.453 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)COCCO2)CC1 1359040459 VRRDRQBVRVIWGY-OAQYLSRUSA-N 432.525 0.188 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)CC1 1359045835 VOWMEYWERAXKAC-ZWKOTPCHSA-N 447.561 0.491 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359046963 MDJUTKNOBBRSMX-SBUREZEXSA-N 442.564 0.917 30 10 ICEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1508094708 JOOXRZCRUVMBHW-UHFFFAOYSA-N 446.577 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1508139485 AXROJIAEGNXHTI-CVEARBPZSA-N 449.537 0.141 30 10 ICEE O=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1521472687 WACJKIPCVFWGBW-RMYFCYLKSA-N 429.481 0.025 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 1534342678 WTVCNYTVLQVTCY-HUUCEWRRSA-N 434.518 0.954 30 10 ICEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1565963079 BKTAKWUJDXXMGB-GOSISDBHSA-N 427.505 0.716 30 10 ICEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587926995 OWFNKAATDOXQJH-HNNXBMFYSA-N 428.312 0.655 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595799103 XLVCBOMEQGXUOU-JKSUJKDBSA-N 437.566 0.878 30 10 ICEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1619782767 IDXZRMAYTWCZFY-GJZGRUSLSA-N 426.543 0.824 30 10 ICEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1619944053 WHIHWFPTOGMOAZ-CZIZESTLSA-N 443.508 0.367 30 10 ICEE CN(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)c1ccc(Br)o1 1653759779 JGDDPFKURFRKOO-UHFFFAOYSA-N 436.222 0.332 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1673203605 WYGDGVUGORFNME-UHFFFAOYSA-N 436.563 0.662 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nnn(C)n2)CC1 1690133953 ZTPSQPHHPKPMJD-UHFFFAOYSA-N 427.900 0.838 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690669113 UWKWDWFMRPKBCJ-UHFFFAOYSA-N 426.460 0.237 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690676983 KAWRBLPBGRPBSD-PGRDOPGGSA-N 448.568 0.391 30 10 ICEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1697761458 RPTHYAIHLZUHSS-ZBFHGGJFSA-N 427.465 0.426 30 10 ICEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705532217 IWXQNFUZSADABW-LJQANCHMSA-N 430.553 0.566 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569890 KXWKTMWYPPFFCC-KRWDZBQOSA-N 440.591 0.682 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nnc(C)s2)CC1 1705647654 KCAFGSJPKDLUOX-OAHLLOKOSA-N 442.549 0.598 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1705829744 BLQDKPBMATYXTD-OAHLLOKOSA-N 446.595 0.786 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1707952531 NEFDKSNVHRPUMY-CQSZACIVSA-N 431.522 0.423 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722369439 ZFEZPVBOUMVUDU-KSZLIROESA-N 438.550 0.952 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)CC=C)CC1 1722445938 GGUYNOOMEDYBQL-UHFFFAOYSA-N 430.534 0.840 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722457896 ROHUBKBDCXRAEK-KRWDZBQOSA-N 429.550 0.873 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722695878 SQTVMRSCYULRGY-OAHLLOKOSA-N 433.900 0.637 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1722728066 SYMQEXCDUZTFLL-IRXDYDNUSA-N 436.582 0.895 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N(C)C)CC1 1740702866 ANDFKRHNWDINSB-JOCHJYFZSA-N 446.552 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(N)=O)c2)CC1 1740704241 KMDTXBCSYMLWCB-UHFFFAOYSA-N 444.499 0.848 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1740991637 ATSRHVQETKTKAO-MRXNPFEDSA-N 444.579 0.564 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 1749054293 RCGFLIBJZROIGR-HNAYVOBHSA-N 438.554 0.129 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749630205 OWJNOXFSVPPSQC-HZPDHXFCSA-N 425.555 0.928 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1760170566 IASAKNDICPYFDQ-MRXNPFEDSA-N 449.515 0.756 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1760175521 LKSZPPDYQXWICX-CRAIPNDOSA-N 439.563 0.650 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1762694171 RVSIHVCQKGPMIP-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)n1 2255633737 GSIZKHXGXMZHTI-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE Cc1ccc(C)c(NC(=O)CN(CCC(=O)N[C@H](CCCN=C(N)N)C(=O)O)C2CC2)c1 211160510 DYWQJDVTBLXNLE-QGZVFWFLSA-N 446.552 0.719 30 10 ICEE N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 460274978 DYLMNIUHJYMCOU-UHFFFAOYSA-N 428.470 0.488 30 10 ICEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 504025853 ZQVPMRXKJQGESJ-UHFFFAOYSA-N 426.473 0.564 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508825831 GMJMZORWHJPTEA-HNNXBMFYSA-N 438.510 0.668 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2C)c1=O 512737531 FPIPMAMEZBEBHR-UHFFFAOYSA-N 449.536 0.786 30 10 ICEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2cccc(C#N)n2)CC1 544882501 YJUFCUFYMJGRHE-HNNXBMFYSA-N 440.529 0.700 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 549693055 ZXEFNMGXMVHUGN-GJZGRUSLSA-N 427.527 0.577 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cs1 742401103 LVWBCVAXSLFBNL-UHFFFAOYSA-N 427.533 0.482 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCc1nnnn1-c1ccccc1 767628211 DXUCNNREFCVBTH-CQSZACIVSA-N 426.458 0.987 30 10 ICEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NCc1ccc(CN2CCOCC2)cc1 798744476 LHLFIPMGZITVGG-HZPDHXFCSA-N 426.477 0.791 30 10 ICEE COc1ccc(C(Cc2ccccn2)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 807979457 TXBBJCSROCDUSA-UHFFFAOYSA-N 443.485 0.413 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OC)c2ccc(OC)c(OC)c2)C1=O 1124657602 XZLNYSWMMVGTQC-CYBMUJFWSA-N 433.417 0.401 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 1155603486 BROODHAMTXXITP-UHFFFAOYSA-N 430.490 0.645 30 10 ICEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1214485732 XZPJYRYCFHWARL-UHFFFAOYSA-N 436.534 0.766 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286774610 YNQUXHJSXKFTBQ-CABCVRRESA-N 426.543 0.292 30 10 ICEE CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1296457532 GAOWMWWVHZJCLW-RDTXWAMCSA-N 444.533 0.868 30 10 ICEE CN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1298005241 NNHZWGAGTNVKQC-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1300273475 QNPHGMAAQKQAQW-HZPDHXFCSA-N 447.565 0.626 30 10 ICEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1300735035 ATYIUIYAWSAIBY-LJQANCHMSA-N 449.554 0.999 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1303946632 GBDKSTUJGPNCNX-HXUWFJFHSA-N 443.533 0.554 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1306392593 OQYSBJIDXQGDOR-NHWLHPCLSA-N 445.524 0.946 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359298768 LDMIXWUMWQCBRE-MRXNPFEDSA-N 431.541 0.615 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1 1471450632 FSSCAYSOIJWLFJ-UHFFFAOYSA-N 435.481 0.729 30 10 ICEE CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515112173 HWWQMALJCLOHTB-JKSUJKDBSA-N 439.524 0.685 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1519317098 DDHVOCWWHACJDW-OQIJWPOYSA-N 434.541 0.719 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539460191 ZPHWLWLUUIQZAI-HSZRJFAPSA-N 433.516 0.962 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)CC1 1539470212 ZHHTUXKGVWYWDC-GCJKJVERSA-N 447.536 0.311 30 10 ICEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2ncccc2C#N)CC1 1540523124 VTRHFHUNBHUXMH-UHFFFAOYSA-N 431.474 0.580 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 1556504016 HSACHSASUBRRCE-HNNXBMFYSA-N 433.306 0.769 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 1564559646 NFDGITZBSSVDDC-UHFFFAOYSA-N 448.954 0.038 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C1 1565345915 BPANPJCGPKUGHN-BBWFWOEESA-N 440.566 0.512 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)COC)CC1 1587807509 FJECFVKEDUVLBW-AWEZNQCLSA-N 426.543 0.033 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1594733660 WYQKERZZRAEPJA-MRXNPFEDSA-N 440.570 0.669 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 1644285493 QQEFYLUGSFINPS-CVEARBPZSA-N 430.571 0.784 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)c1 1651264832 YAIMSKJAAOKJRI-MAUKXSAKSA-N 427.500 0.190 30 10 ICEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1682775145 VIZPGSJQRISKBA-UHFFFAOYSA-N 438.506 0.626 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCOCC2)CC1 1690113622 PDAWDUCBVVBZMK-QHCPKHFHSA-N 446.596 0.796 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCSC2)CC1 1690150556 MFLOLNMLVLPORQ-OAQYLSRUSA-N 446.577 0.234 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1690609150 FGQDXFMPPWFTDP-INIZCTEOSA-N 425.555 0.978 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690669475 GIXKQDWVYLVTRA-CABCVRRESA-N 426.477 0.808 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690676984 KAWRBLPBGRPBSD-XMSQKQJNSA-N 448.568 0.391 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)CCOC1 1696100201 ZPFSIHXSINOIHU-XQBPLPMBSA-N 448.568 0.896 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCOCC1 1698255107 QAAXSWIVJOMOJY-OTWHNJEPSA-N 434.541 0.843 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](F)COC)CC1 1705638837 YPAGMIIIQBWXID-INIZCTEOSA-N 439.495 0.932 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705946686 OAEKMWOZRCNEFN-PMPSAXMXSA-N 445.611 0.737 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1722297108 XOZXQCXLTXISLF-GVDBMIGSSA-N 447.565 0.843 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1722368502 RFVITAGNGOWUCR-CVEARBPZSA-N 428.518 0.554 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)C)n1 1722429718 QPKNDAJIUDAAFQ-KRWDZBQOSA-N 429.525 0.743 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1722452926 MHLGDGXPRSKHSE-UHFFFAOYSA-N 443.533 0.587 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1722703186 XCLNULXAIFLOEM-UHFFFAOYSA-N 437.504 0.993 30 10 ICEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)o1 1724318378 FLFUHDNWTAHKPA-INIZCTEOSA-N 433.538 0.962 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC(=O)N1C 1726722579 JKMJAOMXOAYFEZ-QRQCRPRQSA-N 437.504 0.874 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740995179 CQEPIERFBQBPFW-FGTMMUONSA-N 439.582 0.887 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741124647 NGSRETFPHZYKRC-HFUDNHEJSA-N 426.481 0.636 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1742023439 SSXSPPPZFZCYRA-HNNXBMFYSA-N 429.481 0.867 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(CC)S(C)(=O)=O 1748670740 BGFCCFWPUDFXKX-LSDHHAIUSA-N 431.584 0.310 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1748962200 CCDSLUHLQYQLFQ-HZPDHXFCSA-N 444.579 0.234 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760523113 MNSBKOHDGBUUHT-OAHLLOKOSA-N 433.538 0.580 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1766943726 AERQWVXQNUXJKH-CVEARBPZSA-N 446.489 0.822 30 10 ICEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1768311697 MTMOFCPAJIUAEN-QRYFSLSHSA-N 431.518 0.946 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(OC)c3)[C@H](C)C2=O)CC1=O 1854710956 YNKAQXRZDBQHGV-CABCVRRESA-N 435.502 0.478 30 10 ICEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CC1=O 1855335857 VFTLKPVEKPWVTF-ZWKOTPCHSA-N 426.583 0.922 30 10 ICEE C=CCn1c(C(=O)N(C)CCO)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229693 BMLXHLCVWOALBL-UHFFFAOYSA-N 444.517 0.941 30 10 ICEE CCN1C(=O)CN(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)C1=O 1890120295 UWCVJEUPJYACPA-UHFFFAOYSA-N 447.580 0.308 30 10 ICEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247881262 UZLCWKMPBUQYDT-UHFFFAOYSA-N 444.363 0.865 30 10 ICEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267113686 XPZGZOPXLMWMPC-GHMZBOCLSA-N 445.251 0.643 30 10 ICEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471708279 BRYUSBASMWNJKP-UHFFFAOYSA-N 430.534 0.926 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 577307091 JRQPOXRXODBLOZ-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1 749099785 AZWLAKBMGQONAL-QAETUUGQSA-N 434.470 0.163 30 10 ICEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 749387141 DSRLMWHVACQWOE-RWNPKEDZSA-N 427.436 0.997 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 768085168 GBADJEAHRKEDHR-CZIZESTLSA-N 434.456 0.942 30 10 ICEE COC(=O)CCN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1152128862 PFWNQCYAYBOVSJ-RBSFLKMASA-N 443.522 0.572 30 10 ICEE CNC(=O)NC[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1175292712 WACZFWQGOMAVFJ-KRWDZBQOSA-N 449.533 0.115 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1286430787 JSXDZZSNFDPLLZ-VQTJNVASSA-N 447.605 1.000 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286706726 SPPRKAAYXVALNZ-BXWFABGCSA-N 443.570 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286824726 HJOBTHKZMGKSGJ-JKSUJKDBSA-N 438.554 0.771 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1288526411 VAJGPPXTMIRTJN-MGPQQGTHSA-N 448.496 0.774 30 10 ICEE CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Br 1289435948 GWZOPSUBOANXHP-XHDPSFHLSA-N 447.332 0.863 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301506269 IFQDRHGUHSVAFR-UHFFFAOYSA-N 433.538 0.084 30 10 ICEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1303013664 IEEQXGZBKHPXRS-UHFFFAOYSA-N 429.525 0.893 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955730 RZEQYHKBBDJCCV-CQSZACIVSA-N 431.584 0.094 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507633940 VRSMBGXGBJRRCZ-INIZCTEOSA-N 440.591 0.997 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507725157 PYJPUTHPLAPBGM-RTBURBONSA-N 426.569 0.933 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1539205322 GQKTYZJAYXMGAH-JXFKEZNVSA-N 449.533 0.902 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539705493 WXALXHWJOSGHTH-MCIONIFRSA-N 427.483 0.301 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539804453 WAOSFUHSNVQCGV-GUYCJALGSA-N 444.945 0.222 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1540868829 SYJFVPWFWRVKFS-UHFFFAOYSA-N 428.497 0.016 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554427879 NVUZPAFYUDEBNZ-YZSZHRGGSA-N 443.508 0.271 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588025102 SEKJGOWTRJIYSE-HNAYVOBHSA-N 425.555 0.450 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(OC)CCOC2)CC1 1588924083 VBSLHOZFMKLYFU-IERDGZPVSA-N 430.509 0.001 30 10 ICEE C=CC(=O)N1CCC(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)(c2ccccc2)CC1 1607497596 JLWWIYFZIOCGMT-UHFFFAOYSA-N 433.468 0.950 30 10 ICEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1618916688 VHSDJLHPNXRINZ-KRWDZBQOSA-N 433.530 0.636 30 10 ICEE C#CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 1623599551 SSABKVOTVXSQHZ-UHFFFAOYSA-N 427.461 0.949 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1628339311 REVHJYJZNSIUFR-FQEVSTJZSA-N 436.578 0.888 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)s1 1629524389 SSYDZGIRSRORJK-OCCSQVGLSA-N 444.531 0.708 30 10 ICEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCOCC1 1685656827 DWTDLWXPNWQFNC-UHFFFAOYSA-N 447.517 0.517 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1698301549 GHRQJPFRLXEDGC-ROUUACIJSA-N 447.517 0.767 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705565326 GVBBEKOTNZQPSY-IRXDYDNUSA-N 443.529 0.913 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)CC1 1705638667 SAKCFXWUIQLJSB-IBGZPJMESA-N 435.532 0.643 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1705648567 UOWKHCZDFVKJIX-IEBWSBKVSA-N 430.553 0.469 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1706047356 AGDURKZEZBQDKT-GOSISDBHSA-N 425.493 0.636 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CCO1 1712883599 SVJGUYZYJJBHEO-ROUUACIJSA-N 431.541 0.480 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722353179 SNURZZRGHLNYPY-CQSZACIVSA-N 439.538 0.543 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 1722718890 OJPSFSJAQSCWNS-HOTGVXAUSA-N 443.570 0.553 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](F)COC)CC1 1740705757 LZLLBBUJRHQCRL-HOTGVXAUSA-N 441.529 0.131 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740953622 MHALHSLAJHXWGH-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 1748971510 SNVJNKVUWIJFAI-UHFFFAOYSA-N 434.566 0.094 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1 1749354767 YQXIBJBBZIHOKB-HNNXBMFYSA-N 442.586 0.786 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1760521054 IPPQBPUQEBHXBB-INIZCTEOSA-N 429.525 0.513 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760522201 NPYZATHNFAASBG-HZPDHXFCSA-N 446.533 0.535 30 10 ICEE C=C[C@]1(CO)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2135110005 ARULDYFFALACNK-MOPGFXCFSA-N 426.466 0.590 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255647372 XUOZTOJEWQHSIN-ZIAGYGMSSA-N 434.302 0.486 30 10 ICEE CC#CC[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 2298015550 FZNPMYFMKLKFLD-LVQVYYBASA-N 441.525 0.750 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2298378011 QUJSMCGWQUKXTB-LXFSFDBISA-N 426.319 0.926 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 431358306 LXJNRSTXTHYIFU-YLJYHZDGSA-N 430.553 0.555 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1 542839710 MENPHYZVNQFJRA-UHFFFAOYSA-N 441.467 0.891 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706406 INPZJXJWXAXROD-MRXNPFEDSA-N 431.518 0.025 30 10 ICEE C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)n1cncn1 732706760 OCXWYRUXXXPNGE-KDOFPFPSSA-N 436.476 0.615 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cn1 743727998 ZOLPBNXMYRZOBD-UHFFFAOYSA-N 449.536 0.583 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCN3CCOCC3)c2=O)c1 763437674 PAWAQOQJHZCPRM-UHFFFAOYSA-N 448.548 0.966 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)n1 790108957 JYIHQWKXIJLXIE-UHFFFAOYSA-N 436.490 0.470 30 10 ICEE COCC(COC)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1161732983 HQZWISOWWBGQGG-IBGZPJMESA-N 443.504 0.569 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 1213523266 XLCUEXUXSJSLHV-UHFFFAOYSA-N 448.526 0.204 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286472906 MNTNTQMRCKLBFG-FXAWDEMLSA-N 437.566 0.120 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286787257 DRPKEVCNRUVUIL-OAHLLOKOSA-N 425.555 0.735 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1300544979 JOUPDSPABCWCAG-UHFFFAOYSA-N 440.529 0.452 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCC(C)C)CC1 1300682838 KDYPZQDELYODSN-XLIONFOSSA-N 440.614 0.831 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1313497567 GVWZLTNBNQBHPS-WMZOPIPTSA-N 437.504 0.970 30 10 ICEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316031445 RJDZEQJPDSLIOK-IBGZPJMESA-N 427.557 0.823 30 10 ICEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316223257 KGWKICAUWNJOHW-INIZCTEOSA-N 436.513 0.357 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1 1350774542 OVCUKXGXRKAWEN-OQKWZONESA-N 432.506 0.833 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)C(C)C)CC1 1359046887 JONWGFUDHLKBQD-QFIPXVFZSA-N 430.553 0.773 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359113209 CGEKDIYGTKUEJM-HOTGVXAUSA-N 445.611 0.864 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1359335809 VNXFRZDBTQUMSG-UHFFFAOYSA-N 437.522 0.971 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1507557940 UXAQUVQDPRGRII-QGZVFWFLSA-N 438.598 0.993 30 10 ICEE Cn1nnc2c1CC[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1530069633 CQXBCWKIXJLQAA-INIZCTEOSA-N 428.518 0.761 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540874185 XSIOIGBXBVAAOD-OAHLLOKOSA-N 429.525 0.198 30 10 ICEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548319733 QLVIZYGWTLRHBF-CYBMUJFWSA-N 432.506 0.752 30 10 ICEE CN1CCn2nc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2S1(=O)=O 1584786957 FYFZWSYNVJXZGB-OAHLLOKOSA-N 428.474 0.314 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1589215823 FBXHYDFBERTPSG-HNAYVOBHSA-N 425.555 0.764 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1595536861 HKWBNAFDQLRCQC-OAHLLOKOSA-N 425.497 0.402 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595537612 UDVHMPZSIPASLN-QFBILLFUSA-N 429.569 0.837 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595595652 XNJYIYNRPMZBFC-JOCHJYFZSA-N 440.504 0.884 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1620177527 GQYRUIQGQDKBHC-SFHVURJKSA-N 432.485 0.508 30 10 ICEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1653539831 ILIATMXGEGXDFF-GJZGRUSLSA-N 433.513 0.973 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)CC1 1690124940 XHHRLXGZTDSJMA-GOSISDBHSA-N 444.561 0.777 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CC2)CC1 1690142936 YLXUVIKNCUNCLC-UHFFFAOYSA-N 444.561 0.827 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2n[nH]c(C)n2)CC1 1690150814 WFMDEMJXGCTUDH-UHFFFAOYSA-N 439.524 0.036 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1698310020 YQXDMHDFXCDSOQ-CALCHBBNSA-N 433.490 0.439 30 10 ICEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722340149 OOMRLEWFFJEATC-HNNXBMFYSA-N 426.452 0.557 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722365670 NKFYBNZWDGOCFP-GOSISDBHSA-N 425.518 0.672 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722630354 YOCJGQSIOJQKCC-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C1 1722719060 QCYHDMAIQIITCA-GJZGRUSLSA-N 429.543 0.163 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1722726677 AOLYZOCWMPFEOC-QAPCUYQASA-N 444.579 0.398 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1723954131 HWBICJNXBRHDTC-PBHICJAKSA-N 433.538 0.731 30 10 ICEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)F)c1 1731179085 MJEQIWYGSLUPIS-FQEVSTJZSA-N 429.431 0.914 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 1740694944 YCNFKPYRXBMYHF-IBGZPJMESA-N 428.585 0.012 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(=O)NC)CC1 1740698780 VXVFGZVZOVCJHA-UHFFFAOYSA-N 442.520 0.862 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1760232790 DRCLBHFFZPDUFY-AEFFLSMTSA-N 436.582 0.555 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)CC 1760294907 JDTOWOBUEOSPNE-WMLDXEAASA-N 429.568 0.112 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1760519986 WWCMGDHMVXJICE-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870541437 FIMZJCMCABAXHI-IBGZPJMESA-N 432.521 0.372 30 10 ICEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 1890602381 PKTSQBPHFBXFIT-IBGZPJMESA-N 425.595 0.458 30 10 ICEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2259117699 FVAVWCZYDQMNEN-UHFFFAOYSA-N 436.318 0.763 30 10 ICEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)NCc1ccco1 73417980 UOAWINFZDMNICQ-BFLVDURVSA-N 437.477 0.863 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 440381377 HPBCNCPBHQVRJQ-UHFFFAOYSA-N 426.498 0.435 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 521456803 RDBJVLIXUWJEDB-AWEZNQCLSA-N 427.442 0.375 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 533215948 FBBWMKZJXVLDAX-UHFFFAOYSA-N 427.549 0.327 30 10 ICEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 613119658 HBEYJTZBJJUNKK-UHFFFAOYSA-N 441.473 0.751 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759332924 IYJUWPKUJMAXPR-GJZGRUSLSA-N 427.523 0.989 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)C[C@H]1CS(=O)(=O)C2 1134645861 XLHBCIYJMSPEQP-YVEFUNNKSA-N 443.934 0.890 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNC(=O)c1ccc(Br)cn1 1166453858 NPQSOCIQCSOUJF-ICFOKQHNSA-N 436.266 0.607 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C(C)C 1229532312 RJOHWWLJOGOYRG-MRXNPFEDSA-N 428.536 0.008 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 1286581347 IOECFVREMWPCGZ-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 1286663906 RHBVGTVZCGXGQQ-KRWDZBQOSA-N 440.570 0.540 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286710050 LMTGAXYIZCPCTA-SFHVURJKSA-N 445.568 0.566 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1288825383 DINZKIFYARLQDR-RDTXWAMCSA-N 443.549 0.177 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300486801 BHUXQWMKBKSMBS-GOEBONIOSA-N 430.534 0.815 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1300631078 LAUIJQUQQJIWTO-IRXDYDNUSA-N 437.566 0.887 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1301520768 OMLVJKPPQYXISI-GDBMZVCRSA-N 425.555 0.734 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1312487463 WRNQSUPMPYHEDL-KRWDZBQOSA-N 429.477 0.526 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 1320028366 UATMGYNEDFTDHR-HNNXBMFYSA-N 435.509 0.399 30 10 ICEE CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1357210060 NVZUNQOTMWOOTE-MRXNPFEDSA-N 428.493 0.680 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359222261 DGUFISHTWUJLIH-LSDHHAIUSA-N 444.558 0.758 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359304163 OLBKJLIVAZHFCE-UHFFFAOYSA-N 444.540 0.041 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccnn2)CC1 1359332574 BDAGMLCAOYGDLE-INIZCTEOSA-N 433.538 0.499 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1443254813 KVJJNBYUJRCDKH-QWHCGFSZSA-N 437.946 0.784 30 10 ICEE N#Cc1cn(CCNC(=O)NCc2cc(Cl)ccc2N2CCOCC2)c(=O)nc1O 1469970604 XKVNJVSGTWZDGM-UHFFFAOYSA-N 432.868 0.810 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1507689277 JICZUSHMMGOQPT-MRXNPFEDSA-N 434.522 0.522 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507738076 JIOZASSPAVGKHD-HOTGVXAUSA-N 441.536 0.110 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCOC2)CC1 1507904221 YFHBEKOWMGRARV-APWZRJJASA-N 441.554 0.165 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1508144643 RFYHNGBSZNLRSS-AWEZNQCLSA-N 438.579 0.936 30 10 ICEE CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509134127 IQXIPLZHVMXQET-VXPUYCOJSA-N 445.524 0.298 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)NC(C)C 1511888585 DHBUHEUPYNUBGM-AWEZNQCLSA-N 433.542 0.291 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCC)CC1 1540858136 IIHAXLBEPFWLCF-INIZCTEOSA-N 440.570 0.682 30 10 ICEE COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O 1556885837 UDKXEYVZCIBWPA-CQSZACIVSA-N 440.497 0.032 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588055709 YKDWIKPWSCHKEH-JKSUJKDBSA-N 435.550 0.815 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1 1588199271 LSEZRPBVZJYPRE-UHFFFAOYSA-N 428.514 0.110 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594812027 BOMPSJBFGYANCL-IRXDYDNUSA-N 441.554 0.114 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1615133365 ATYXGADBBQDPMZ-JOCHJYFZSA-N 437.504 0.923 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1632966605 SWITWEAEHRLJNK-UHFFFAOYSA-N 433.509 0.526 30 10 ICEE C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(=O)OC 1638827403 UYLSBIVTKFQZKS-CRAIPNDOSA-N 449.529 0.751 30 10 ICEE C#CCN(C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1639046036 ASWQNAXDKZDARW-UKRRQHHQSA-N 428.532 0.992 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)CC2=O)cc1Cl 1640668116 DQLHJNDZVAARAX-HIFRSBDPSA-N 439.925 0.739 30 10 ICEE C#CCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1643134253 QTHIFZGKMGSVJC-BRWVUGGUSA-N 425.551 0.434 30 10 ICEE N#Cc1cn(CCC(=O)N2CCn3ncc(I)c3C2)c(=O)nc1O 1645258925 CUBWHUJTGXSPDY-UHFFFAOYSA-N 440.201 0.054 30 10 ICEE C#CC[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1648130510 RDIFAELDQMJTEV-GOSISDBHSA-N 435.546 0.763 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cn(CCOC)c(=O)nc2O)ccc1F 1650869674 VMGWYFVCMOVNTP-UHFFFAOYSA-N 440.453 0.129 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc3c2OC(F)(F)O3)CC1 1687099125 FPQNKVWYNJXHHA-UHFFFAOYSA-N 430.433 0.345 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689930301 OYBWHSSUIATXGJ-GOSISDBHSA-N 448.593 0.338 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1690300619 GULRPSUQIXWLHH-LSDHHAIUSA-N 428.559 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690669710 MOFYXKFXHJUILV-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690671228 RFLBAVZGCVVFFT-CABCVRRESA-N 426.543 0.340 30 10 ICEE CC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691885392 YHKRIJUXAJHAFD-BMRADRMJSA-N 437.526 0.010 30 10 ICEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1696883135 ADXOSVSGGXTVAW-OAQYLSRUSA-N 432.548 0.868 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705631701 NUWZPVDIRHQDHL-UHFFFAOYSA-N 443.596 0.505 30 10 ICEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706314665 GDXUPLYGAPGXCD-FQEVSTJZSA-N 445.549 0.544 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740794715 GTHMUFOJSNOJTN-HOTGVXAUSA-N 425.555 0.865 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740951081 PNSCCGJYXCOVFH-DLBZAZTESA-N 434.541 0.883 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740957214 GDHGYOFVOJGKEX-UHFFFAOYSA-N 436.524 0.714 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740957453 ONFSTAIZGNZKPD-LPHOPBHVSA-N 440.552 0.564 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746737537 JJHOMGOZBIATRF-RXVVDRJESA-N 444.492 0.784 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1748863606 AWTCXKMGZOAUCU-HNNXBMFYSA-N 441.579 0.176 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749229071 GEVKCJGNWPTBJG-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1749659996 LROUKACPBWPYLM-UHFFFAOYSA-N 437.504 0.850 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749735204 PJKZIMUSUKCJCP-INIZCTEOSA-N 437.566 0.832 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750971470 PKISAPDNTGWHNH-NCJSADBTSA-N 445.524 0.804 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760137588 KUJQAOAFHHLBFQ-JKSUJKDBSA-N 443.595 0.502 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760565459 XQKLYJLTPLDLPH-AWEZNQCLSA-N 428.584 0.620 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 1767464544 MXZCUDVNTVDNHF-QAPCUYQASA-N 438.467 0.891 30 10 ICEE COCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771276854 NPKGHOOUXXWOOP-UHFFFAOYSA-N 441.492 0.598 30 10 ICEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCOCC2)cc1 1850020099 TVVXUTPDZUZSAR-HXUWFJFHSA-N 435.546 0.690 30 10 ICEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccccc2S(C)(=O)=O)C1)[C@@H]1CCN(C)C1=O 1857277389 SDPPGKGVCKCAAS-NVXWUHKLSA-N 433.530 0.798 30 10 ICEE Cn1ncc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2255541777 HSTLHBOGRFJGDY-WDEREUQCSA-N 428.220 0.707 30 10 ICEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2255653767 NRKRNZICQBMIGP-OCCSQVGLSA-N 436.318 0.429 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2270596328 BCXCRXFPBTULOX-LLVKDONJSA-N 445.251 0.788 30 10 ICEE C#CCO[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286033310 REDLMXKPFHSNKN-QZTJIDSGSA-N 438.502 0.898 30 10 ICEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 463641366 AQZHMWBEWXJTAQ-CZIKEKGBSA-N 440.481 0.561 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C2=O)cc1 488260063 BSODQHOPAFOTFG-IBGZPJMESA-N 445.545 0.915 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C[C@@H]1CCCO1 521202367 YJFYJDVCALEDSS-INIZCTEOSA-N 427.526 0.963 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 553583967 ZCJIINWIPQTVMY-DZGCQCFKSA-N 428.536 0.155 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 604160946 PSRASPKDFAZESD-UHFFFAOYSA-N 428.581 0.434 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 604167411 ZISIWLDYIYZCJC-UHFFFAOYSA-N 443.957 0.248 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 753753928 RBEWJNRTYIZPTJ-CZUORRHYSA-N 449.558 0.907 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786405521 ZCBLTXIXBZYZSH-UHFFFAOYSA-N 434.497 0.791 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 919548074 KEQHLOIYOSEESW-LJQANCHMSA-N 440.504 0.956 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1141375070 QWFWLMPSJLKZFZ-INIZCTEOSA-N 440.543 0.249 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1286469549 IRWQGCBYNSKTCT-QHCPKHFHSA-N 441.580 0.963 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1286774103 YTQVJGTZNNPVLV-QGZVFWFLSA-N 441.598 0.930 30 10 ICEE CC(C)N1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288003475 APWRNKVPWWEISG-MXLIYFDZSA-N 429.525 0.839 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C[C@H]1CS(=O)(=O)C2 1289205098 MHNCBPHFLNBYJW-BONVTDFDSA-N 440.279 0.692 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCN(CC)CC2)CC1 1300698138 OIYNVVMTJSNKLB-FQEVSTJZSA-N 442.612 0.402 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCOC2)CC1 1300711355 YVZUBHCKEWZTKD-KRWDZBQOSA-N 428.537 0.907 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1300916435 XBCYBUPAFQGZOU-LPHOPBHVSA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1301589651 VNPSJZQZQVVEKL-OAHLLOKOSA-N 447.583 0.202 30 10 ICEE CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1302525765 FSKXDCMSROAQKT-ZIAGYGMSSA-N 444.583 0.481 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 1302924386 LSTWWCFTHCSJNW-AWEZNQCLSA-N 440.469 0.203 30 10 ICEE NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)C1 1318923589 FRKYJNTVCKZTFH-QCLNCQLRSA-N 439.516 0.917 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 1319283424 GENWFXIIUIUZRP-GLAOQKLNSA-N 430.465 0.374 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359322932 FCOFTNZXHMXALY-FXAWDEMLSA-N 433.534 0.595 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508132265 WGOAYBVGHQSABA-HZPDHXFCSA-N 425.555 0.880 30 10 ICEE CCOCc1nnc(N2CCC(CC(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1516511482 WLGYLSIHDBUDKF-VXPUYCOJSA-N 445.524 0.694 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccc(N2CCOCC2)n1)[C@@H]1CCS(=O)(=O)C1 1539219220 HDMVVLPNGQUWGB-GOSISDBHSA-N 444.561 0.747 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC(C)C)CC1 1539475317 BMNGSNRYTNGBOK-UHFFFAOYSA-N 447.565 0.567 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1539731147 YWYHRGUBLUCRQA-JKSUJKDBSA-N 428.559 0.002 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1565220283 ZGSQGSGFXVNKLN-HNNXBMFYSA-N 443.533 0.719 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1568701781 XAXSVVFAIXZBOZ-LJQANCHMSA-N 444.557 0.494 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588055575 XSPLDQDWVJYFMX-SJORKVTESA-N 449.577 0.845 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2I)CC1 1588199492 QVTWVGVEYHOTJU-UHFFFAOYSA-N 433.271 0.517 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@@H](C)CC 1588385131 FKAWXYRMERPSNN-TXPKVOOTSA-N 427.571 0.868 30 10 ICEE Cn1ncnc1C1(O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1633368041 WBQDYSHDWWKZHN-UHFFFAOYSA-N 432.506 0.144 30 10 ICEE N#Cc1ccc(OCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1Br 1635447843 HXZDXSLGWVQGBC-LBPRGKRZSA-N 431.312 0.874 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)s1 1641852522 GVKOHPVPWVREQY-UHFFFAOYSA-N 437.547 0.899 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(OC)c(OC)c2OC)CC1 1650846341 SIGBCFJTXSQLQQ-UHFFFAOYSA-N 425.507 0.257 30 10 ICEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1660664374 PRCALYLXWTZBKL-HOTGVXAUSA-N 427.548 0.328 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690669809 POLMADSBLOEPDI-MRXNPFEDSA-N 439.524 0.265 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705564533 BNPNHYJRJIGAFF-WBVHZDCISA-N 445.549 0.255 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C(N)=O)nc1 1705576351 JILGYXAHYJSNSI-UHFFFAOYSA-N 438.455 0.536 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1705588702 IVFXRTUBLANTSQ-QGZVFWFLSA-N 436.582 0.462 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1705589778 VZVRUVUZRHLONG-OAHLLOKOSA-N 441.579 0.176 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1705936141 KQCFVJMMENXXHD-OAHLLOKOSA-N 439.563 0.812 30 10 ICEE CCc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709093498 NIQUAZBRBZDUFR-DNZUHHBVSA-N 428.497 0.407 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1711251308 DSZHWUPTQYZDMC-CVEARBPZSA-N 436.467 0.763 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1722844566 FVDGJVMQOREVEX-UHHPSXQGSA-N 429.481 0.023 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1740705975 PKKAHVZPINUVJJ-UHFFFAOYSA-N 430.553 0.691 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1740950691 DCFNDVNGKSVOBU-UHFFFAOYSA-N 435.529 0.777 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740960496 UABSYVHPQMBLFV-CVEARBPZSA-N 447.565 0.600 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1748922598 DWYGQVRHBHDVOZ-INIZCTEOSA-N 448.487 0.640 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760186514 OCZGTYOTBNKVHE-DLBZAZTESA-N 442.607 0.928 30 10 ICEE CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1769075930 WCQYMUXMOPMTRM-KOFUXLBCSA-N 445.524 0.804 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1850450182 XRQXUCXSSZNJQD-MRXNPFEDSA-N 429.546 0.989 30 10 ICEE NC(=NOCCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccncc1 1853590324 DPLUUPHQYHQLKK-LJQANCHMSA-N 439.472 0.619 30 10 ICEE Cc1cc(CCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)ccc1F 1856838536 MMOIKXZSKVMXIV-QGZVFWFLSA-N 436.509 0.665 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255619989 UXFLOSHOZSYZQQ-ZIAGYGMSSA-N 436.318 0.809 30 10 ICEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 111048212 YKXKCDFISODZFD-KRWDZBQOSA-N 441.575 0.778 30 10 ICEE CS(=O)(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 474864114 LGRGDGDKKSUGKW-UHFFFAOYSA-N 426.520 0.151 30 10 ICEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508814208 SLENQSKBKWGNDE-UHFFFAOYSA-N 426.481 0.808 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 508913746 QGWDSVLOFIKIBE-MPGHIAIKSA-N 427.527 0.181 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CC1 519883235 PHOHGXUGYAGBKS-UHFFFAOYSA-N 436.578 0.925 30 10 ICEE COCC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cccc21 546907232 GXHIXHUBEGAAJB-UHFFFAOYSA-N 448.483 0.776 30 10 ICEE CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ncccc3C#N)CC2)c(=O)n(C)c1=O 684617790 ZGRXSVDESDXNBW-UHFFFAOYSA-N 425.493 0.057 30 10 ICEE CO/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(C)=O)=C(COC)CS[C@]12C)c1csc(N)n1 725326914 GESKDPKEZXROMP-DRKUVVCHSA-N 438.531 0.992 30 10 ICEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2nnnn2C)c1 771536275 DSXLNUJLPGIPIA-INIZCTEOSA-N 444.565 0.761 30 10 ICEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CCS(=O)(=O)C1 774220208 YLNNUSAJVAOVPP-ZDUSSCGKSA-N 427.495 0.083 30 10 ICEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1141412610 OVWWFZHAKGXOFK-MRXNPFEDSA-N 430.486 0.801 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1286549401 VEUZQCMIISFKLG-IEBWSBKVSA-N 446.552 0.790 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1286816191 JCOIEBKFWMLGGG-UHFFFAOYSA-N 449.533 0.842 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1288526409 VAJGPPXTMIRTJN-HZSPNIEDSA-N 448.496 0.774 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1300579686 YIKBWBMVKMZEKP-XLIONFOSSA-N 435.550 0.643 30 10 ICEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301034146 MRJSWJKTHFIRCF-UHFFFAOYSA-N 445.911 0.600 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1314540094 CERZTXFTQYUSKY-KRWDZBQOSA-N 445.549 0.800 30 10 ICEE CN(CCN1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314871942 RVVBXEIADKRJPO-CZIZESTLSA-N 429.525 0.840 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359132853 GWUYOESKPCQXFC-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359304367 WRGWQGKWOGBXNQ-LJQANCHMSA-N 442.568 0.743 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)O 1360240310 FRIGQKJVJYOTCH-AWEZNQCLSA-N 427.513 0.564 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1360714583 QOEAHBBUJAWUOC-YJBOKZPZSA-N 447.565 0.926 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494143572 ZPLOSJQGLNXLTE-OHTQGHCMSA-N 429.481 0.266 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CCO1 1504720324 DWHBSWWLOFFTOQ-SFHVURJKSA-N 440.504 0.950 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1504993009 BWIRFIZSTPUPHD-NLWGTHIKSA-N 447.584 0.899 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCOC)CC1 1507723885 YAXXTTMTNAFGRG-OAQYLSRUSA-N 430.509 0.549 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1508092621 RPPIMDIJRMVBBT-JKSUJKDBSA-N 440.570 0.538 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508127132 WTROWEJMLIETHW-PMPSAXMXSA-N 438.554 0.435 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)NCC)CCC1 1539296970 WRGDAXMCFAXGKG-MRXNPFEDSA-N 434.566 0.658 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC 1539557321 QNZVQLSGDMAVSR-DNVCBOLYSA-N 438.554 0.129 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541092785 WXGQTKWSIINVEI-QGZVFWFLSA-N 437.508 0.349 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1559651608 NBRIWXMOHDKECP-RDJZCZTQSA-N 436.582 0.860 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587862597 XEJYPRDLDUPQRV-CABCVRRESA-N 434.522 0.066 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C(C)C)CC1 1588923616 GSMJSUASENHUNZ-SFHVURJKSA-N 429.569 0.925 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 1611717147 KKQKNXADRBGWJP-HEHGZKQESA-N 447.521 0.458 30 10 ICEE C=CCNC(=O)N[C@@H]1CCN(C(=O)c2cccn2C)[C@H]1C(=O)N1CCC[C@H]1C(=O)OC 1616127337 WFTBGBVURIOCGP-HYVNUMGLSA-N 431.493 0.257 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1689930020 JLYPDFXVLDNDTH-QGZVFWFLSA-N 433.538 0.493 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1690139274 FVOLCLSWBCYFSZ-UHFFFAOYSA-N 444.503 0.859 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690668244 XYAWZJVZRLANKN-OAHLLOKOSA-N 425.493 0.812 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1690672669 ZKDOLQSLWHGUSC-CVEARBPZSA-N 440.570 0.540 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)CC1CC1 1692774289 GCLDGUYTVBPNGV-CYBMUJFWSA-N 444.583 0.453 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1694325281 BQYIEDWJXYRRKW-GOSISDBHSA-N 441.533 0.674 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705659887 ITFZHPQKBYIIPU-QGZVFWFLSA-N 447.609 0.586 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 1705819910 WYDFFYOBRKZFKW-MRXNPFEDSA-N 438.554 0.388 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712883477 PXDNDXZFGPWTEN-ZDUSSCGKSA-N 427.856 0.875 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1722275861 GPGHSXUUJUYTGN-JYJNAYRXSA-N 435.554 0.747 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722702686 PMJALSYJHPGSNW-GVDBMIGSSA-N 434.541 0.799 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1740677178 QYAVLQIZNBBGCM-SFHVURJKSA-N 440.479 0.867 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1740693704 IWVUUWSGTUZZFY-UHFFFAOYSA-N 435.525 0.901 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1740710352 YCUIDGHGOUOFBK-GJZGRUSLSA-N 442.611 0.750 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740994249 LMTPPLUNNUKLGK-UHFFFAOYSA-N 431.584 0.349 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1748950958 RHEUFYYYZPSURY-UHFFFAOYSA-N 443.504 0.907 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255614629 HJRPGCHUKSKYCJ-HXUWFJFHSA-N 436.318 0.811 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCNC(=O)OC(C)(C)C 2255697570 BYBMZURVMSAHER-UHFFFAOYSA-N 439.322 0.385 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 460809312 MNMYGFRPQVHZOS-KBPBESRZSA-N 435.572 0.056 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)cc2)nc1 471324676 ZJQXZAADDAPIGB-RBUKOAKNSA-N 442.497 0.661 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 540038652 IZWDKRNOWKEGMN-LBPRGKRZSA-N 433.504 0.854 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541801221 FZWHQCQZWXVDFD-UHFFFAOYSA-N 442.497 0.968 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768416527 HZMGIGPXJDKWJN-KRWDZBQOSA-N 439.545 0.996 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCN1CCOCC1 917769508 BRAOMHMNMWEGCD-UHFFFAOYSA-N 447.586 0.036 30 10 ICEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134274805 BCNCMIUPDQSOFC-DEYYWGMASA-N 440.547 0.376 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C[C@@H]12 1252506251 CQYSGDPJIPARDJ-ZCNNSNEGSA-N 432.546 0.976 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1286274435 NRKQCBXOFYXRFD-KBPBESRZSA-N 439.563 0.798 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286447806 NKRKQUUNLJPYBG-PXNSSMCTSA-N 432.502 0.800 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCS(C)(=O)=O)CC1 1286490442 KZGDFAQPHYKIFX-UHFFFAOYSA-N 430.534 0.659 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286607602 SJFWAZAUBJCWER-UHFFFAOYSA-N 428.541 0.974 30 10 ICEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCS(C)(=O)=O)C2 1303996893 OWADSOURWJQUHA-LJQANCHMSA-N 430.490 0.892 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2N2CCOCC2)CC1 1312250092 HGTXFBARYZRWFX-UHFFFAOYSA-N 435.550 0.126 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn(C2COC2)nn1)[C@H]1CCS(=O)(=O)C1 1358957531 VRHBRNDCJDOFKZ-ZBFHGGJFSA-N 433.538 0.629 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](COC)OC)CC1 1359040509 XKSSTBCBXKITCP-QGZVFWFLSA-N 432.525 0.141 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359298801 MLTABFCNVPMIND-CQSZACIVSA-N 443.508 0.803 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NC)C1 1359314154 WWQMPOPTAUMHJW-UONOGXRCSA-N 428.559 0.442 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1359332165 QPGIDCAJRNTTLT-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1455916769 MBGVTBMEPQCSLC-UHFFFAOYSA-N 447.557 0.988 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1460195953 GNPPXNCTLMYMTH-IBGZPJMESA-N 445.568 0.717 30 10 ICEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1472602584 BYPSBAHTSPQRQO-SFYZADRCSA-N 428.326 0.971 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1507723767 TYBNIAFZDWPJDL-FHWLQOOXSA-N 443.596 0.872 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1539119765 ZRKYZAKFSJFFKP-KVSKMBFKSA-N 437.543 0.627 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1539669002 IMXOLPREXQYAFK-HNNXBMFYSA-N 431.584 0.618 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)c1 1542111617 MUFKRRLJJPMDCD-SCLBCKFNSA-N 435.527 0.854 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cc(F)ncn2)CC1 1556702842 DOFACAUNXYFCPP-UHFFFAOYSA-N 432.481 0.783 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1558074987 LUZOPXUGGAQNFE-FQEVSTJZSA-N 430.574 0.901 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1593695983 KFMQXTYKIZIMCV-CABCVRRESA-N 429.543 0.870 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]34COCCN3C(=O)COC4)ccc2c1=O 1611624480 KLSBEIZIYZRZNN-FQEVSTJZSA-N 430.486 0.229 30 10 ICEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1620081210 WYPPXWGYFVGFJJ-UHFFFAOYSA-N 435.506 0.627 30 10 ICEE O=C(C#Cc1cccs1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1624771163 FPPJRXURZLTKFI-UHFFFAOYSA-N 446.554 0.864 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2c(S)nnc2-c2ccc(C)cc2)CC1 1636475850 ZUQQSTCXPCURRK-UHFFFAOYSA-N 448.574 0.544 30 10 ICEE C#CCC1(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCOCC1 1654831119 ZOHSXCPPQOWHKZ-UHFFFAOYSA-N 435.546 0.486 30 10 ICEE C[C@H]1CN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1666279224 DYMGNPCENDQHOD-IYBDPMFKSA-N 440.504 0.929 30 10 ICEE N#Cc1cn(C2CN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C2)c(=O)nc1O 1683195491 COCMNAAYOOHUIY-UHFFFAOYSA-N 446.414 0.702 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689951266 REEHFRKKJVDVQC-MRXNPFEDSA-N 445.545 0.913 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1689988923 YUYYVQNLZNRQDE-IRXDYDNUSA-N 445.549 0.520 30 10 ICEE COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1697761456 RPTHYAIHLZUHSS-GOEBONIOSA-N 427.465 0.426 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1698491281 WJPDWEWCIOACGD-CVEARBPZSA-N 443.895 0.869 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705588018 SROXBKYDIZECMS-UHFFFAOYSA-N 449.515 0.143 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1712702295 MFFGGUJYVAGJIU-HXUWFJFHSA-N 444.517 0.490 30 10 ICEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722457120 QHFYQKXPFYHRRI-OAHLLOKOSA-N 440.529 0.467 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1740581103 PORUYNOMRHHHGG-AWEZNQCLSA-N 436.517 0.557 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740612577 DJQJRJGWOVSCAP-AWEZNQCLSA-N 436.563 0.621 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nccs2)CC1 1748973017 VEAPLXQVLWRKFG-GJZGRUSLSA-N 437.595 0.904 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)CC1 1748989333 LDYXIEPMBXXBKW-QGZVFWFLSA-N 430.534 0.387 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)CC1 1749008746 AROMPERIVLRLNT-AWEZNQCLSA-N 442.549 0.657 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1749210810 OYZWQKLDHSQYBW-UHFFFAOYSA-N 428.559 0.481 30 10 ICEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O 1750389509 AGHHACJRHWFDPI-HNNXBMFYSA-N 428.497 0.632 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1750962193 BAABJKOUTFLHEX-UHFFFAOYSA-N 435.510 0.401 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1760201876 LRIHPCZZOWXEBK-UHFFFAOYSA-N 429.502 0.903 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)CC1 1760262153 ISGCEDHRMUQPFV-UHFFFAOYSA-N 438.532 0.492 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCO3)C(=O)C2)C1 1854355484 ZDDXPQRPDAWWSQ-SJORKVTESA-N 432.502 0.171 30 10 ICEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513686 SVBMKMDRBKEGIY-VQIMIIECSA-N 434.452 0.755 30 10 ICEE C=C(CO)C(=O)O[C@@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2069385199 KSDTVMYGKXHKCB-CGRMTHRGSA-N 438.429 0.160 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](S(C)(=O)=O)C1 2192655158 DWBCOOFCQGDPAH-RYUDHWBXSA-N 435.549 0.931 30 10 ICEE C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247876937 ZECIJCWCUNHSDO-CQSZACIVSA-N 436.343 0.686 30 10 ICEE Cc1c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630938 RHXKJSODYNZPFN-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE Cc1nn(C)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255657227 LZAURTDCTGRTPC-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267580335 FOITYYLWQPVICL-AWEZNQCLSA-N 448.329 0.830 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)cc2Cl)OC1(C)C 2284407390 LALNUCSZFPVBLC-CQSZACIVSA-N 425.721 0.815 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 428007632 XCYJYLMTALHUEO-QYIJWSABSA-N 427.526 0.850 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)cc2)nc1 471324678 ZJQXZAADDAPIGB-RTBURBONSA-N 442.497 0.661 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 603798852 PGJOPJIMLOOJOF-CYBMUJFWSA-N 449.479 0.633 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 623010706 YTOXYCICNQACCO-UHFFFAOYSA-N 437.521 0.805 30 10 ICEE COc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)N1CCCC1 731862225 AQKWVGVZECNBNA-ZZEZOPTASA-N 448.501 0.736 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 767681025 PKJJTGGUTOKNPQ-CZUORRHYSA-N 431.474 0.616 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 810647815 OSTIYNWTYADGPC-CYBMUJFWSA-N 449.348 0.376 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)C1=O 856656819 KCQBSDLYZGFZQE-GOSISDBHSA-N 443.504 0.878 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 914993896 IRAXAHZJZZAXTK-CQSZACIVSA-N 426.477 0.819 30 10 ICEE CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 1083816787 QXSOYPUOFNJBDA-VUVWGQCBSA-N 438.476 0.162 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)n1 1256226467 HWFGEMXUDKFPFZ-UHFFFAOYSA-N 437.386 0.831 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc3c(c2)OCO3)CC1 1286469925 ONDDBARZJSPDEF-UHFFFAOYSA-N 440.504 0.979 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1286546573 JWXHTJHOEMXCJJ-KKUMJFAQSA-N 449.599 0.350 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286789845 IEYIALMGAYQWOI-SFHVURJKSA-N 442.520 0.325 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)C1 1286810502 SAALGQPNZIROIK-IIDMSEBBSA-N 428.580 0.830 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1286831710 JMUDJDMUESJHQC-KGLIPLIRSA-N 429.568 0.051 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1358965155 OXVWVCRWECIIGM-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359304108 LTNGKMRYXLZDHQ-SFHVURJKSA-N 428.541 0.794 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(CC)C(=O)C1 1359334228 XQHPWVCMCSCWIM-UHFFFAOYSA-N 432.550 0.923 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1457222677 ARAHMDBOPUJBTR-UHFFFAOYSA-N 426.516 0.018 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1467814602 OFPVFLXEDPKYJX-AUSIDOKSSA-N 442.516 0.042 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]2CCN(O)C2=O)cc1 1468373997 HCBNDPLNWKISPG-CABCVRRESA-N 431.536 0.592 30 10 ICEE C#CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1471938188 DRCXLWSKCADLMN-SFHVURJKSA-N 435.546 0.442 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1497114692 XAYDFTKBGBLOPC-HMWBCQRISA-N 445.524 0.948 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1503769534 AWTUFOLFFFGNFW-QGZVFWFLSA-N 426.477 0.309 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1505136762 DQTWUGYAFXSMPX-GOSISDBHSA-N 446.533 0.750 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1507654141 WLIFPRCMEUBEKI-SJORKVTESA-N 435.550 0.499 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1508037276 AJTMAWIPGFKVDG-IRXDYDNUSA-N 427.571 0.540 30 10 ICEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1521138134 ZEPDNEZJOHDIOF-ZNMIVQPWSA-N 432.506 0.538 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)ccc1F 1529089709 FWECMMJGQYXYRJ-ZFWWWQNUSA-N 442.465 0.857 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1539013911 KSIUCLGKMCWPDK-WMLDXEAASA-N 448.549 0.124 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539631548 MBFPUWUZCOXVII-BBWFWOEESA-N 425.555 0.845 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540874444 HBAYGNGLXLYJFG-FQEVSTJZSA-N 445.549 0.534 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCCCCO)c1 1555988217 UPEDGXMLWXOUKM-SFHVURJKSA-N 437.504 0.516 30 10 ICEE CN(C)C(=O)CN1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1560146427 LTHRALFPUIJMBW-GOSISDBHSA-N 432.594 0.553 30 10 ICEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1562066364 CYRZOOWOMGZGHF-ZBFHGGJFSA-N 443.547 0.702 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587697041 IMKBBUAJHYTNQY-UHFFFAOYSA-N 443.552 0.892 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1608583977 CAUKKEOWTOOILS-UHFFFAOYSA-N 438.536 0.698 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 1637382441 KAXGEQVUCPTZRX-KDOFPFPSSA-N 431.518 0.979 30 10 ICEE CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CS(C)(=O)=O 1684005834 FGCVRDGXWBEMJF-UHFFFAOYSA-N 442.563 0.645 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1690135564 ZGFYZUPSIXAWCF-LJQANCHMSA-N 444.561 0.841 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690731243 FIJZRCYVTCASIL-LJQANCHMSA-N 441.554 0.200 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1692538502 KCYPOCVDIKDXHV-CVEARBPZSA-N 428.541 0.508 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1694737708 FOURJKZAZUVUQV-MRXNPFEDSA-N 444.565 0.715 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCCOC)C1 1705890870 NMMURTMGZRNVPR-JKSUJKDBSA-N 429.543 0.286 30 10 ICEE CC(C)(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706184766 RQGXDUIZQUGVCM-KDOFPFPSSA-N 444.533 0.868 30 10 ICEE Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707790508 AMWMFXVSMANTOA-ZBFHGGJFSA-N 436.542 0.412 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1722421477 LLNLEBRGISRROG-MRXNPFEDSA-N 445.549 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722724575 AJBZBBWFHLBMHA-OAHLLOKOSA-N 440.570 0.512 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1730924517 VTXQWSXIUJHUPW-UHFFFAOYSA-N 428.493 0.775 30 10 ICEE CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1747615929 WENHAMZUWGZVGX-PVEMMZBWSA-N 436.538 0.725 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748825183 WISLCFHITWXUSN-OWCLPIDISA-N 442.563 0.191 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCNC(=O)CC1 1749738103 FRISBGZQNNIQJH-UHFFFAOYSA-N 433.534 0.827 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751018164 LSEOHGXGTYVDRH-PMACEKPBSA-N 446.487 0.914 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F 1760214935 IUJXXOCSCZJWQO-UHFFFAOYSA-N 439.430 0.765 30 10 ICEE CN(CCC#N)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 1854306344 PICPUWMUDIFIOF-SFHVURJKSA-N 434.518 0.684 30 10 ICEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1 1858643003 JZCBGJXOVXQIJQ-UHFFFAOYSA-N 430.486 0.907 30 10 ICEE CC(C)(C)OC(=O)N(CCO)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677039 QGGNCLDOSNMWQK-UHFFFAOYSA-N 428.320 0.427 30 10 ICEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCOC1 2248404397 JUMGBEPFQPBYLX-GOSISDBHSA-N 440.331 0.882 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267133589 DLXWESIZSZHEDM-CQSZACIVSA-N 449.361 0.990 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN([C@@H](C(N)=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506636777 QIHIRFRWTBQMJA-TZIWHRDSSA-N 435.532 0.940 30 10 ICEE C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 568436557 RRBULAOYJDNTHL-FQEVSTJZSA-N 442.453 0.965 30 10 ICEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)c(C#N)c2)ccc1F 609133926 ZDOJGYGBQUHEHZ-UHFFFAOYSA-N 426.426 0.965 30 10 ICEE CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729670629 YVZJACOFBAREMW-UHFFFAOYSA-N 437.525 0.719 30 10 ICEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[C@H]1CCN(S(C)(=O)=O)C1 801214510 JFDOGIQDWSTURP-YCRPNKLZSA-N 447.513 0.976 30 10 ICEE CN(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C1=NS(=O)(=O)c2ccccc21 916775274 OCBLSZFSBQHARS-UHFFFAOYSA-N 432.483 0.585 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)cc1 1264645116 LFRCLNALDGBLJY-STZPCZCHSA-N 428.536 0.910 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286384281 HGMSFNNGDHLRLM-GOSISDBHSA-N 436.559 0.806 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1286553688 FOZMQFFYVBVPIN-GJYPPUQNSA-N 432.525 0.505 30 10 ICEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286753322 ATCAWUZIBRGILV-OALUTQOASA-N 426.539 0.658 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1286776192 JFOQITWVNFDZSS-INIZCTEOSA-N 438.554 0.388 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1297760323 PTLWKMZONQZLLT-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301108766 WGUGIDMEYSFXDZ-HXUWFJFHSA-N 446.533 0.877 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O 1301151286 LHINAXIXAIWIKN-CQSZACIVSA-N 433.600 0.768 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@H]1CC 1301492198 ACMAFZMELKVLCL-MRXNPFEDSA-N 428.493 0.979 30 10 ICEE CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1314486728 JOZIVWIYCJPOBK-INIZCTEOSA-N 426.543 0.778 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1359016546 FVNFUZGZAICJLO-HNNXBMFYSA-N 444.496 0.531 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCSCC2)CC1 1359037884 BDEMVJIFDVRESO-UHFFFAOYSA-N 428.610 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CC)CC1 1359040006 DYOZRLKCXRERDO-SFHVURJKSA-N 429.569 0.866 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359133395 RGTOOPBBAKJSDZ-YESZJQIVSA-N 437.566 0.830 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359240311 LEKIUEFJDHDTQJ-IAGOWNOFSA-N 438.598 0.745 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1359297573 UVKLKNICVHMMJR-UHFFFAOYSA-N 429.500 0.645 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 1460875657 AKUIJUYVSMHQDK-WOJBJXKFSA-N 443.523 0.498 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 1476129419 AYICTBGUMBFWAI-KRWDZBQOSA-N 435.550 0.697 30 10 ICEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1502374868 AAFBQPCJKGHXES-KRWDZBQOSA-N 439.520 0.930 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1507716429 RBSBAODEIVDVME-LJQANCHMSA-N 429.569 0.238 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O 1507831590 AUARBZPTWZLADA-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507962389 RIGWVAPDBQTDMS-DLBZAZTESA-N 432.525 0.650 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539072555 SKZJALUDWHHKSV-HOTGVXAUSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1539200491 IWTQYOPUJCCDFZ-DLBZAZTESA-N 437.566 0.956 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1555078395 MHDJLHKJGSHNEA-QGZVFWFLSA-N 449.533 0.667 30 10 ICEE N#Cc1cn(CC(=O)N(CCO)Cc2cc(Br)ccc2F)c(=O)nc1O 1556083622 IESAXJYDZFLFOF-UHFFFAOYSA-N 425.214 0.743 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(CC=C)c(OC)c(OC)c2)CC1 1563815084 UUSHSOXSAPZETP-UHFFFAOYSA-N 436.534 0.727 30 10 ICEE C#CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1585304876 BPQYIEPDFXLOII-INIZCTEOSA-N 426.922 0.860 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1587989953 QVYREILLYRXNRH-INIZCTEOSA-N 448.524 0.515 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1595561832 CWUZXONORRAXCP-YLJYHZDGSA-N 443.596 0.912 30 10 ICEE N#Cc1cn(CCC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)c(=O)nc1O 1616217928 BLRMFMSXIAFUOZ-UHFFFAOYSA-N 430.509 0.051 30 10 ICEE COCCOC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1624410543 LOZZPARZHWZYLV-UHFFFAOYSA-N 439.534 0.834 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccncc2)c1 1642925853 KENJMXUFKILTOO-MSOLQXFVSA-N 433.486 0.941 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@]1(O)C(=O)Nc2ccccc21 1651169806 AKOPJDSEIVKGGV-HXUWFJFHSA-N 428.470 0.461 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CC1 1668730090 FKAKZCBDTNZYGW-UHFFFAOYSA-N 443.551 0.455 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1679692617 DNASTQYFRJDURX-QGZVFWFLSA-N 427.958 0.738 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705480344 UNDCTNSFLGPWDP-SNRMKQJTSA-N 426.539 0.326 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1705661798 JDABHJFBKXHGAX-CQSZACIVSA-N 429.568 0.203 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1705819963 XTOOZFIAWMUVCU-INIZCTEOSA-N 441.554 0.967 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705899569 XRHHJSYDURJQHL-CQSZACIVSA-N 449.533 0.888 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1731003298 OWVZPPMYHLPMGC-WBVHZDCISA-N 444.517 0.631 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740628782 UDKWKRORIMVWHX-JKSUJKDBSA-N 437.566 0.919 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1740641126 DBGYTVFURWKZIX-UHFFFAOYSA-N 425.514 0.925 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1740761920 PXMZOSCNWSFYNW-TWMKSMIVSA-N 437.566 0.876 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(C)(=O)=O)CC1 1748984193 IDJWGCLISUSGPW-UHFFFAOYSA-N 431.518 0.516 30 10 ICEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749383848 JOHNQCZBGRPTGH-BEFAXECRSA-N 425.555 0.961 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749457045 FECGURFSXNLNDT-SJORKVTESA-N 437.566 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1760268965 SQOYKJMPZYLWTC-QGZVFWFLSA-N 440.552 0.365 30 10 ICEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1766235561 BQRVVDSQTJQCBH-UHFFFAOYSA-N 425.493 0.971 30 10 ICEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1771468393 SLMFONMYINYOCB-GJZGRUSLSA-N 444.583 0.483 30 10 ICEE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651400 RFDSKLQEUPRFIS-LBPRGKRZSA-N 430.442 0.949 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 1889539930 AFAZJIXXXINMCX-UHFFFAOYSA-N 429.506 0.659 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255631988 HBEOXQFDUUWFMV-ZDUSSCGKSA-N 436.318 0.763 30 10 ICEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)n1 2255633402 AKIZWRPPUFCYNS-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE CC1(C)OB(c2cccc(N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)n2)OC1(C)C 2266741418 AIIDKPNKVFJTNR-VXGBXAGGSA-N 442.247 0.740 30 10 ICEE Cc1nc(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504218 LRVIVMUYSWCWFV-ZDUSSCGKSA-N 427.332 0.411 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCNC(=O)OC(C)(C)C 2315535949 ZWIQICCBPDIDCB-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE Cc1c(/C=C2\SC(=S)N(C)C2=O)c(N2CCN(CCO)CC2)n(C)c(=O)c1C#N 33389587 DFDHETHVVFEKQZ-GDNBJRDFSA-N 433.559 0.511 30 10 ICEE NC(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 96348080 OUOFAQLQGDFORR-UHFFFAOYSA-N 427.482 0.588 30 10 ICEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 477031472 GJTLJHWXEIXDSI-UHFFFAOYSA-N 435.531 0.384 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508919147 POLNEXGBNFQWSW-JKSUJKDBSA-N 427.527 0.183 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 788814296 NBESVQDBZVPIJZ-QHCPKHFHSA-N 435.484 0.885 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)n1 790108268 WNGIIKFLOIASSK-IPMKNSEASA-N 434.562 0.975 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 801090108 SMVMIFUFGQDAED-OAHLLOKOSA-N 442.497 0.521 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(OC)c1 916201116 CZPVHIWXOMIGRO-UHFFFAOYSA-N 426.498 0.286 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2=O)cc1 1133373882 OOPDFBAQQLWSAL-GOSISDBHSA-N 433.468 0.460 30 10 ICEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1176173532 UNGOCMODSQCWMW-MRXNPFEDSA-N 437.518 0.980 30 10 ICEE C#CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1286359788 JYQYDLFCBURXQK-OAQYLSRUSA-N 430.509 0.864 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC#C)CC1 1286485668 UJDJNOQNJXFEQR-UHFFFAOYSA-N 428.562 0.846 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286485779 XYYDQUAPZWHLJL-KSFYIVLOSA-N 430.553 0.933 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(C)cn2)CC1 1286485892 BTFNVUIPIFPNKO-UHFFFAOYSA-N 426.525 0.587 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)CCOC)CC1 1286492772 INROFQGXGFDOSG-XMSQKQJNSA-N 433.553 0.925 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286820356 KBYGWAWQTDJDRH-GPMSIDNRSA-N 426.539 0.767 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300465340 LVMYKHWQLUPWGZ-DLBZAZTESA-N 436.582 0.192 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1300496428 RFMOPJQOXXMPSX-QZTJIDSGSA-N 439.582 0.725 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N(C)C)CC1 1300688305 DEKMJWGIOWQFKS-UHFFFAOYSA-N 444.561 0.582 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H]1O 1315108070 BZTCAJANXYJAGJ-FGTMMUONSA-N 427.461 0.592 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1358890532 QQYBRBAUNBUOSZ-SOUVJXGZSA-N 445.636 0.918 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1358966080 HNPIJAOLABYWAK-GOSISDBHSA-N 447.565 0.293 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 1455114627 GSAXDYBOBHNYOF-UHFFFAOYSA-N 432.502 0.146 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)C1CCOCC1 1470868351 XYWYJAXISZUDQO-NUJGCVRESA-N 428.555 0.096 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)COCCO1 1510202079 WYMINWKDSQBNFP-WBAXXEDZSA-N 426.543 0.824 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C2CCCC2)CC1 1539432294 ZRVHNDMDDCIGPC-KRWDZBQOSA-N 437.614 0.518 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)COCCO2)CC1 1539488107 HHCHXKOTQFQSFX-QFIPXVFZSA-N 444.536 0.172 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1540560060 ZNGLLPUYQVQEDB-UHFFFAOYSA-N 448.564 0.640 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1541030422 BEZKTLPIWIKOJV-LJQANCHMSA-N 437.504 0.780 30 10 ICEE C#C[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1556794491 JKPBDHMVAIVVOQ-GXTWGEPZSA-N 435.365 0.959 30 10 ICEE C#CC[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OC 1556971245 SZPOQFRTLCNVLK-QAPCUYQASA-N 438.502 0.832 30 10 ICEE N#Cc1cn(CC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)c(=O)nc1O 1569209252 GYTKWGKHYCIFBF-SNVBAGLBSA-N 439.241 0.690 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588049228 CNESBVBSJSAHID-KRWDZBQOSA-N 430.534 0.883 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCCCC3)CC1 1588733190 OXRNXTQSVXUHOT-UHFFFAOYSA-N 425.541 0.538 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1594732505 FKFNLIZRPZCGGI-GJZGRUSLSA-N 426.543 0.244 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1632721959 QEFWYVICVYMJGG-YVEFUNNKSA-N 430.479 0.589 30 10 ICEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc21 1648790794 VFHDMKHCDKKTRV-JOCHJYFZSA-N 437.456 0.279 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 1655631783 KPKVCRZRUMXCIB-UHFFFAOYSA-N 427.548 0.791 30 10 ICEE C=CCn1cc(CNC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1 1682167048 MXBPQQKRFKUABU-HNNXBMFYSA-N 442.542 0.688 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690729357 MWMYGQXIHZHYAE-UHFFFAOYSA-N 437.526 0.002 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705567342 WWMFXVAPXSGYEF-TWMKSMIVSA-N 435.550 0.529 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1705937248 NSOFNUOGOLUORG-UHFFFAOYSA-N 447.565 0.716 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1705937698 BXCZGRMMBZDHFT-HOTGVXAUSA-N 441.554 0.241 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1706078676 VFOSLMNBXBCCCL-HLAUDOPJSA-N 426.481 0.523 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1710893007 FWVBMCQHAURZAT-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722729281 HXWSULQRPSIUPT-HXUWFJFHSA-N 446.533 0.896 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@]3(O)CCN(C)C3)CC2)c1C#N 1725867386 GZRGSJVDQVEIJG-JOCHJYFZSA-N 441.584 0.783 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1728204106 BVWKJUAXUHGXSI-MRXNPFEDSA-N 425.493 0.957 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)O)n1 1740688660 YLVHFOXKVFWJFD-UHFFFAOYSA-N 429.525 0.768 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1740951536 HZFZWXHOCJDSDV-CQSZACIVSA-N 427.575 0.157 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1740970726 PWOJFUUOIZGJOH-MRXNPFEDSA-N 432.525 0.578 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749671190 ZNOCAHRFMOXFIR-IRXDYDNUSA-N 445.568 0.263 30 10 ICEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1751806170 ISCBGFCTNHLKMH-IAGOWNOFSA-N 433.538 0.894 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N(C)C)c1 1760128210 BPNRNYBDHWADAH-KRWDZBQOSA-N 437.504 0.764 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760191351 FYRKNFUNMNDBDT-LAUBAEHRSA-N 449.577 0.842 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1761502787 SBBXYLOHNZHXKF-HRCADAONSA-N 442.542 0.203 30 10 ICEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769266678 WYSLUYXFANCANP-MRXNPFEDSA-N 430.488 0.994 30 10 ICEE COCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1769703184 VURYMWLRELEFBW-MAUKXSAKSA-N 428.534 0.590 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1771365851 HKXICDOTTDIJNF-HOTGVXAUSA-N 446.489 0.870 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255627044 NEIIEIDYWHLEBK-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2255629290 TXIQRAKJUCQIHB-UHFFFAOYSA-N 436.274 0.513 30 10 ICEE Cn1ncc(Cl)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 485441653 RTRXWXTWDRVOKI-UHFFFAOYSA-N 429.911 0.640 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@@H]1CCCO1 518714759 FKJKVDHOHXYYCH-SFHVURJKSA-N 441.553 0.971 30 10 ICEE CN(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 583337073 RAMYGPFCJGMHKA-HNNXBMFYSA-N 426.520 0.103 30 10 ICEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 603799789 UDGYVLNYJNSWOO-SFHVURJKSA-N 439.537 0.759 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 607418817 CBKCMSXADGDLEH-CTNGQTDRSA-N 429.565 0.905 30 10 ICEE CSCC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732155836 GYSGTCVLQYGRIL-VAMXVVNJSA-N 448.545 0.926 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3C[C@@H](O)c3ccco3)CC2)o1 763661005 BCXKDLQUPIMGRV-SJLPKXTDSA-N 429.477 0.921 30 10 ICEE C=CCN(C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCS(=O)(=O)C1 1125953884 LHMJNWFZQKHAMB-CABCVRRESA-N 429.539 0.656 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)nc1 1178460256 GDYSFAHJGOVSNC-BRWVUGGUSA-N 431.518 0.392 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1286299095 SEBNQXMGZWHBQZ-DLBZAZTESA-N 444.561 0.918 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1=O 1298877195 MIBGFQUMMWZLRU-FQEVSTJZSA-N 444.517 0.442 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1301479234 XGDSIMPPKYGPNI-CQSZACIVSA-N 431.522 0.699 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(c4nn[nH]n4)CC3)CC2)cc1 1302752768 DVDLMPYOYRLQQH-UHFFFAOYSA-N 429.506 0.878 30 10 ICEE N#C[C@]12CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C[C@H]1CS(=O)(=O)C2 1304273445 XIANZMLLUYKMTO-SUMWQHHRSA-N 443.572 0.472 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1359048827 CAXQGOJKLQJRRA-CYBMUJFWSA-N 429.568 0.644 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1443353645 GJXHWBONNOETFJ-HKUYNNGSSA-N 427.423 0.081 30 10 ICEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1477192974 YOXSQWCOAQJPAX-UHFFFAOYSA-N 448.526 0.854 30 10 ICEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507783520 DPFMGDKMIDVGTQ-LBPRGKRZSA-N 432.282 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1508129890 DYFVWYZKYZDRGV-GJZGRUSLSA-N 429.543 0.257 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1508141496 NEULOFQDVRGREV-GJZGRUSLSA-N 427.527 0.072 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539224300 DYLPYWNVDSWDQT-SJORKVTESA-N 440.591 0.825 30 10 ICEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1558206977 GEOZWHOOJLCPTA-BFYDXBDKSA-N 449.529 0.678 30 10 ICEE C#CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1570283528 KNVXJBGKKQJSOW-CQSZACIVSA-N 430.523 0.824 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1587856729 QMNNEJCDQUZMPT-CRAIPNDOSA-N 426.564 0.609 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1 1588198891 BGVIGBCHTUKQFB-GOSISDBHSA-N 442.545 0.428 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1588228406 FPDJLBIDWYNUQW-GOSISDBHSA-N 425.514 0.790 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1CCN/C(O)=C1/N=CC=CC1=O 1608211413 CJTIXVDEMYJHAY-WKSPDDFDSA-N 433.538 0.884 30 10 ICEE CS(=O)(=O)N1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1628328019 MBWPTQDTIWVWJC-AWEZNQCLSA-N 442.563 0.436 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 1629145776 HDQWIMBSZBLQCN-UHFFFAOYSA-N 435.437 0.431 30 10 ICEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417488 GSFVVDZEFBCYBI-MSOLQXFVSA-N 442.559 0.313 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1643372428 KVQBXFJLLZRODB-UHFFFAOYSA-N 426.502 0.689 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C2=Cc3cc(F)cc(Cl)c3OC2)CC1 1671159159 OJVKANCUUOTTMJ-UHFFFAOYSA-N 449.913 0.627 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1673444015 WZYQJKGSYFPBIT-IYOUNJFTSA-N 428.511 0.202 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689987704 AWJFTXNPGHXGAS-ZDUSSCGKSA-N 433.456 0.851 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1690663471 XVCRLFKJNHQFIU-MRXNPFEDSA-N 449.533 0.502 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)C1 1690700273 PWYQCYFIRULKKT-KZNAEPCWSA-N 439.582 0.682 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1691003616 JMCLWGOLYMFGPW-ZJIFWQFVSA-N 426.543 0.632 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705558872 KMPQVSNPQNQNEW-INIZCTEOSA-N 431.518 0.797 30 10 ICEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705563200 SKPPXAAWWIONFY-QGZVFWFLSA-N 440.533 0.706 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705565323 GVBBEKOTNZQPSY-DLBZAZTESA-N 443.529 0.913 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1705599064 UYFVBWOKBKMTGX-OTWHNJEPSA-N 449.577 0.889 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)CC1 1705632369 NUJRUMSLFSHSDM-UHFFFAOYSA-N 444.561 0.947 30 10 ICEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722331911 AVLFQXBNXPROSQ-INIZCTEOSA-N 434.522 0.835 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722366595 IKBXPSGBQACZDO-KRWDZBQOSA-N 449.577 0.845 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C1 1722710082 CVLSJKATNRDTNW-ZIAGYGMSSA-N 447.583 0.247 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1740671462 HXBBQGCGJMAUHD-ZDUSSCGKSA-N 432.344 0.979 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1740695453 RNDAWEXSWPRHID-UHFFFAOYSA-N 439.612 0.707 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740888430 SARNNYKYTDCYGG-CVEARBPZSA-N 438.554 0.329 30 10 ICEE CCc1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744710169 KFIXZPXLPLELAE-QBNCKDSPSA-N 431.541 0.914 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C)CC1 1749676317 MBYOZIJPGJQLQH-UHFFFAOYSA-N 433.520 0.991 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1749677740 JHQZVEKTMAIZRV-UHFFFAOYSA-N 445.568 0.251 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187660 KVMSDWLBSUGAJL-IAGOWNOFSA-N 448.593 0.730 30 10 ICEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760366632 FMXQFALFTMSYKT-AWEZNQCLSA-N 440.932 0.682 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760527482 YJUASRLHGKXZNO-MRXNPFEDSA-N 431.541 0.588 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1761467489 ZJEMXFSPBARCKX-XOBRGWDASA-N 445.549 0.875 30 10 ICEE C#CCN(CC(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2210482985 VMJIOWSZTMFMGD-FMKPAKJESA-N 427.498 0.314 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255832917 UFFMMHVGFCNSEL-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 462904637 XBFSCSIDSOXFTG-UHFFFAOYSA-N 442.497 0.456 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC(C)C)C1 549689224 XWXPNFCZIOCRSR-IAGOWNOFSA-N 443.570 0.817 30 10 ICEE COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 582857964 PZTQWOFJFDJBMP-UHFFFAOYSA-N 436.515 0.876 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 603786051 GAHDWSZFNLMVOO-UHFFFAOYSA-N 436.468 0.795 30 10 ICEE CN(C(=O)CSCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C1CCCCC1 732908428 KZBOKVDDFJCJOW-HNNXBMFYSA-N 429.564 0.477 30 10 ICEE C#CCN(C(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C)[C@H]1CCS(=O)(=O)C1 735039725 DJBHXSRFXUGZRD-KRWDZBQOSA-N 432.502 0.863 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cn1 838536026 YCSFDCOOIWQBNF-UHFFFAOYSA-N 429.546 0.094 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 917925787 NZTAJGGYEUULPV-LLVKDONJSA-N 425.937 0.555 30 10 ICEE C#CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367613 UITDNMHDHHMNCJ-UHFFFAOYSA-N 425.511 0.392 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1158345305 JJJHXGDGTTXIDB-MSOLQXFVSA-N 439.509 0.899 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H]12 1225936876 GMPSXHJKUWHVSA-FQKPHLNHSA-N 428.511 0.199 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300362812 AHJSMBWILZFFLF-HNNXBMFYSA-N 430.534 0.640 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300491375 HLZCKCZSUZFEEY-QZWWFDLISA-N 435.550 0.407 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300509620 QKQIRMJWAOLQGU-HNNXBMFYSA-N 428.518 0.968 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300950584 HNRQOQVDEFAVAR-MRXNPFEDSA-N 444.565 0.997 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1301577549 QCSJKBMELFFTNG-KRWDZBQOSA-N 449.533 0.506 30 10 ICEE CN(CCN1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314871945 RVVBXEIADKRJPO-ZZEZOPTASA-N 429.525 0.840 30 10 ICEE C=CCN(CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1473233637 SKZLAESDNHDKIM-LBPRGKRZSA-N 443.547 0.946 30 10 ICEE C=C[C@H](COC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478492083 ANNDSHTUCIHNIE-MRXNPFEDSA-N 426.539 0.647 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505336569 PCFIGGDNIGNMKY-UFOSLELVSA-N 441.517 0.768 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1507617119 QUWGODULYVPYHW-KRWDZBQOSA-N 448.549 0.913 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1507632072 ITZLIHGVSGETGG-FJIDUMEYSA-N 438.550 0.686 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1507636715 JIGBYSWINGUXQM-MRXNPFEDSA-N 426.502 0.966 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1507750989 JOWKELVRDHXPSS-CABCVRRESA-N 429.568 0.203 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508082649 VRZIMPSHMLQRBE-OAHLLOKOSA-N 433.538 0.408 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1508088480 BDWBMYJLICKYOC-DLBZAZTESA-N 436.582 0.547 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508093788 CTGMYFQLQGPIDQ-UHFFFAOYSA-N 426.525 0.900 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1508142593 FDPRUUWJAUPCJK-UHFFFAOYSA-N 435.554 0.409 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1539178346 GZPHFAHIPJMLEY-MRXNPFEDSA-N 438.554 0.129 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCN(C)C2)CC1 1539475611 JTTACIIVMXZFBR-QFIPXVFZSA-N 425.537 0.316 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)C1 1540894546 ACJHEOJGWYHJDI-HNNXBMFYSA-N 428.497 0.335 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555819885 XJKKBXIFLHKWCK-MRXNPFEDSA-N 446.537 0.272 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1558329425 PXXWWXIGBZXIKL-JZXOWHBKSA-N 425.938 0.678 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1595550483 FESVQDBLOFMNCN-IBGZPJMESA-N 442.520 0.861 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1 1624070159 VBZRHESIDKLCIY-QGZVFWFLSA-N 431.518 0.919 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705583129 RBDMTPQIWUFCLT-INIZCTEOSA-N 438.575 0.610 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nnn(C)n2)CC1 1705634211 NHSVNFHHLSHUFW-UHFFFAOYSA-N 429.435 0.874 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1705644489 RWNFJHSCPXXIOI-UHFFFAOYSA-N 438.598 0.869 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705661898 LCMGOSZLGDKNCU-GJZGRUSLSA-N 430.538 0.680 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705828727 XDGKHWFYFHWVPE-UHFFFAOYSA-N 444.540 0.846 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722408267 ZDCLNUPIRCQYLV-RBUKOAKNSA-N 426.539 0.328 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCCS2(=O)=O)CC1 1722430523 DMNBRAKXELSBMP-ZWKOTPCHSA-N 439.582 0.725 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722619074 YGOGIBLOFNAMDL-HZPDHXFCSA-N 441.554 0.967 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722683036 ZYDCVVBEJJADEO-UONOGXRCSA-N 432.572 0.079 30 10 ICEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1741122257 IQCMBFLRDWZXSC-UHFFFAOYSA-N 434.508 0.798 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1742712306 ARKZEYIOBMTNNE-IAGOWNOFSA-N 448.553 0.293 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1748950085 KKZCVJCLVYKHPD-YLJYHZDGSA-N 440.566 0.839 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760114313 KMGRJBZIRMDPPV-VVLHAWIVSA-N 434.566 0.891 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1760187416 DCAUQPASHZJXKZ-MSOLQXFVSA-N 446.577 0.747 30 10 ICEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1761170704 XYCWCPKJQYREGE-GOSISDBHSA-N 436.520 0.304 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1761359884 BSTPZRHZYCRJCW-ZDUSSCGKSA-N 435.510 0.780 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)n3nc(C)ccc3=O)CC2)CC1 1889382392 SUYPVPCWULNUPU-HXUWFJFHSA-N 429.565 0.761 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699655 YTEZPPDZKZQMII-KGLIPLIRSA-N 434.302 0.798 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1 2255821070 AFHTXYXMXPNYEV-KBPBESRZSA-N 436.318 0.741 30 10 ICEE CN1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3cccs3)c(=O)n2Cc2ccco2)CC1 12566816 SKUSHOIQNZSSHR-HTAXBBIHSA-N 440.550 0.890 30 10 ICEE CC(C)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN(C(=O)[C@H](O)CO)C1 208086875 GOIHKEROJXTYLV-DLBZAZTESA-N 434.346 0.335 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CC=C 447280273 LNGYWLLFPAVXPT-UHFFFAOYSA-N 434.319 0.397 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 521456804 RDBJVLIXUWJEDB-CQSZACIVSA-N 427.442 0.375 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 524516965 UWZQIMUCNBEOHZ-FQEVSTJZSA-N 443.548 0.725 30 10 ICEE C=CCc1ccc(OC[C@@H](O)CN2CCCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 580367421 VIJRCNVADNKFDA-SFHVURJKSA-N 427.567 0.978 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1 605233687 WHPAYFMQUYZKTG-LJQANCHMSA-N 429.569 0.222 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729672079 WEBZZCBJJIWBPI-HNNXBMFYSA-N 439.541 0.868 30 10 ICEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732669688 OIAWRIVZOISVPY-INIZCTEOSA-N 427.548 0.861 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCN1C1CC1 732706970 SKSSLNCPHUYMCD-GOSISDBHSA-N 431.518 0.059 30 10 ICEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 733672829 CTDULHGAQCLAFA-UHFFFAOYSA-N 448.545 0.776 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)cc1 737255054 VCFYARZLBLJFCA-XIEYBQDHSA-N 444.517 0.483 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 746258280 ARRSLBSJULENLK-QZQOTICOSA-N 431.537 0.744 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2nnnn2CC1 1162165647 AZIFMACSZDAPTM-HIFRSBDPSA-N 431.522 0.648 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC 1286299909 ZUTQHXHPAFOSFG-HUUCEWRRSA-N 431.584 0.310 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286628503 CILOXUIECQPAOI-ZIAGYGMSSA-N 446.961 0.326 30 10 ICEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 1286682600 BBJWKHLVBYDTCJ-CQSZACIVSA-N 434.588 0.326 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286710049 LMTGAXYIZCPCTA-GOSISDBHSA-N 445.568 0.566 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CCO1 1286940549 BTQLQQOHEDXBST-IBGZPJMESA-N 435.492 0.840 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(CCN(C)CCOC)C3)cc2C1=O 1298848048 UPGICACQABAAKE-MRXNPFEDSA-N 428.489 0.378 30 10 ICEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301615735 VAMBYPWOSRJDTJ-HNNXBMFYSA-N 447.590 0.700 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1304270824 IWASMRVFIBKCGK-YXUGBTPSSA-N 425.507 0.409 30 10 ICEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1306488403 YTQIFULLKOOHQS-REMYHPOOSA-N 435.488 0.842 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359029482 YVCHZSRZONAOPN-QZTJIDSGSA-N 439.520 0.732 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cnn(C)c2)CC1 1359044487 HFMSOYDAXXCRIO-SFHVURJKSA-N 438.536 0.561 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1359301651 GCHJAGBOMJHFFP-UHFFFAOYSA-N 441.540 0.096 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1505135261 QWQBVHQBBLIVAF-FQEVSTJZSA-N 447.517 0.769 30 10 ICEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1505314831 BVQZWMBBNYTCTA-RDJZCZTQSA-N 428.518 0.953 30 10 ICEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1507627090 CMTKRJXXMJURRU-ZDUSSCGKSA-N 446.924 0.797 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507738080 JIOZASSPAVGKHD-JKSUJKDBSA-N 441.536 0.110 30 10 ICEE CCc1nnc(N2CCC(N3CCCC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513864508 HGLZAINHQPRZBK-FMQUCBEESA-N 427.509 0.958 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539226271 WQKIPYXYKMYHAH-KRWDZBQOSA-N 428.518 0.193 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1554442187 MYTUVHUNLPEAQD-DYESRHJHSA-N 426.477 0.573 30 10 ICEE COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1555245160 FPJPJDAASVUDDS-QGZVFWFLSA-N 442.524 0.671 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)s1 1586899268 QMWYFTSXPWPCHG-SFHVURJKSA-N 440.547 0.592 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1587804028 RUOMUWXOENLXGR-UHFFFAOYSA-N 436.524 0.833 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1587856730 QMNNEJCDQUZMPT-MAUKXSAKSA-N 426.564 0.609 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029390 HFIXQGBOTVKGNI-MRXNPFEDSA-N 437.566 0.451 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1588233988 XWEYIDQNFPYXEM-MRXNPFEDSA-N 448.574 0.773 30 10 ICEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593746538 HXHUMFQLFYEFLG-SFHVURJKSA-N 446.552 0.646 30 10 ICEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1595453490 XHMJSBQTAFMJCL-OAQYLSRUSA-N 427.509 0.937 30 10 ICEE CCOCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1617083318 MKPWLQUZTIEPCV-QAPCUYQASA-N 444.533 0.870 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2C(F)(F)F)CC1 1631409126 JDOZVMSNBFRXDS-UHFFFAOYSA-N 434.440 0.879 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1640681748 LFMXJOFODSAPKZ-UHFFFAOYSA-N 428.532 0.571 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1645267894 RNNPETCNKPEKIS-PSLQGDIJSA-N 437.518 0.365 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)c2ccc(I)cc2)c1=O 1652960622 XOBPQGWAPVDYIK-UHFFFAOYSA-N 425.182 0.361 30 10 ICEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1 1653068423 AIASTLZAUYJFHI-XXHMAFKTSA-N 447.513 0.705 30 10 ICEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OC 1663037529 HCQJALKCAMHMCU-NSHDSACASA-N 439.259 0.710 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690714549 ORGYHNXBTOESDZ-HNAYVOBHSA-N 441.554 0.401 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCN(CC)CC1 1705542017 WPWPAJFMDJSXAZ-IRXDYDNUSA-N 425.603 0.231 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1705716611 PPCJITWAKSLUJI-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1705905262 PIJYXMWVKURUOX-GOSISDBHSA-N 442.520 0.521 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)CC1 1722439834 RDRUHURDURJEMW-UHFFFAOYSA-N 442.474 0.653 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722728113 OFLFBRXBDLYEGU-QAPCUYQASA-N 444.579 0.398 30 10 ICEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729917704 DTAVQFGYVXDSQX-DDPVOYOXSA-N 443.508 0.761 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740580586 CEXQVFCYQNRVHL-OAHLLOKOSA-N 436.476 0.812 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1748751964 PBVCPHKILBPTLC-QGZVFWFLSA-N 434.566 0.931 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1748790771 LZVHXMQEHVRJCZ-LBPRGKRZSA-N 425.433 0.607 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748817432 KRWAFVAPQPBDRV-DZLKFECGSA-N 428.580 0.567 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)CC1 1748972637 MGNHKUSFRSWLQW-SJORKVTESA-N 435.598 0.128 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1749170613 QCLZSMPOMWOJLG-CQSZACIVSA-N 425.559 0.849 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCOCC1 1749489502 WTUYOUCTCJJFQB-IAGOWNOFSA-N 442.586 0.202 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751018167 LSEOHGXGTYVDRH-WOJBJXKFSA-N 446.487 0.914 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760514865 NGGAHMQJXZNBPB-MRXNPFEDSA-N 429.525 0.408 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1771222634 KQFTULGUDXZPAT-GJZGRUSLSA-N 429.543 0.944 30 10 ICEE COCCN(CC(=O)N1C[C@H](CN2CCC3(CC2)C[C@@H]3C#N)CCC1=O)S(C)(=O)=O 1857280835 FDLQQXLDLLLWHX-DLBZAZTESA-N 440.566 0.285 30 10 ICEE C[C@H](C(=O)O)N(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 1866332370 RDYPMXJCDIURMN-DOMZBBRYSA-N 435.458 0.301 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2064131969 GLCRYFGFEAHLEH-HAGHYFMRSA-N 444.532 0.954 30 10 ICEE C=C(CO)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2069385201 KSDTVMYGKXHKCB-JWOSDPRPSA-N 438.429 0.160 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676100 FRNGWUVNSBJHDV-LLVKDONJSA-N 427.332 0.944 30 10 ICEE CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 18039324 USWRPTRYFGYLMX-UHFFFAOYSA-N 448.526 0.613 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 555257861 ZGFPASXZQZKNKX-IAGOWNOFSA-N 441.554 0.573 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 590913952 DJBFVOBVAAJKBM-ZBFHGGJFSA-N 445.516 0.882 30 10 ICEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2ccc(O)c(OC)c2)nc2c1c(O)nc(=O)n2C 606631190 WWSQFLBNKHWCBR-UWPAOYMWSA-N 444.448 0.559 30 10 ICEE CCOC[C@H](C(=O)OC)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 610940962 BPJAJXQHZVVRDB-GOSISDBHSA-N 437.518 0.995 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 679532477 TUMBEPXYAOXHSZ-GASCZTMLSA-N 425.507 0.742 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)ccc1F 729362796 DWQJANUHKBHJCR-UHFFFAOYSA-N 448.476 0.989 30 10 ICEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cn1 730144379 KIJOMEZXANCMOL-OAHLLOKOSA-N 448.549 0.368 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 731901818 KQAOGARISCHZLS-UHFFFAOYSA-N 430.515 0.597 30 10 ICEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)CC1 732700155 GHWOCMUSEDCURP-QGZVFWFLSA-N 433.538 0.367 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795677 RYKZTXSANAGPMM-MRXNPFEDSA-N 445.545 0.132 30 10 ICEE Cc1nc(CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)no1 785319550 TXQPIYNUDDOCTE-CJLVFECKSA-N 434.478 0.788 30 10 ICEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C(S(C)(=O)=O)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 1083813780 FXCJISJQQJYFKV-JZQUPJITSA-N 438.542 0.930 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1c[nH]cc(I)c1=O 1155568041 ZXDNVFFFWCTKGF-WYMLVPIESA-N 428.186 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)CC1 1175515297 WCKJKWNSLJALCT-UHFFFAOYSA-N 439.501 0.349 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC(=O)N2)CC1 1286495267 YRRHFZIXAGTHQP-MRXNPFEDSA-N 441.561 0.878 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286788202 RVTKGYXBTLULOH-WMZOPIPTSA-N 445.568 0.611 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286833223 XHOWXGGXADDGDX-KGLIPLIRSA-N 434.609 0.723 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCN(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1293712425 CFQKXNIUHDMCLT-XHSDSOJGSA-N 426.539 0.324 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2ccccc2OCC)CC1 1302921949 ZRSCMIWHSYRDGI-UHFFFAOYSA-N 436.534 0.207 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1303003424 HAPRHKPQVGXQTG-SJORKVTESA-N 446.533 0.791 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1303512647 LYBCAVKYCJSNLU-IRDXTQHGSA-N 435.502 0.842 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cn(C2COC2)nn1)[C@@H]1CCS(=O)(=O)C1 1358957529 VRHBRNDCJDOFKZ-GOEBONIOSA-N 433.538 0.629 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359299242 ZSTPTNYLAGSPRH-GJZGRUSLSA-N 447.540 0.977 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359299905 PMOKGWJECHMDIY-MRXNPFEDSA-N 444.540 0.259 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359386265 YFESECKATFPGGK-KRWDZBQOSA-N 436.476 0.473 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1360476652 OZOBLAOXBADLAK-BZUAXINKSA-N 442.542 0.155 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507622207 CFEICYIIJXZUCP-KRWDZBQOSA-N 449.577 0.836 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507634517 KVDPZAOARNEBEL-SFHVURJKSA-N 425.518 0.856 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)C)CC1 1507740006 IAOTWDSOUAAEOH-UHFFFAOYSA-N 443.552 0.281 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)CC1 1539446807 JLQMMAANPCVMHL-HNNXBMFYSA-N 434.522 0.118 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1540876228 LDCXPJKUAIZYOF-LLGFUMIMSA-N 435.525 0.617 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)CC1 1556504036 IHWJDTKAAMXTEG-UHFFFAOYSA-N 448.479 0.891 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1558806011 APXCZRRMLLUNDJ-VBKZILBWSA-N 433.465 0.618 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H]2C(=O)NCC23CCOCC3)CC1 1560176341 WEGMLUGYNLRGHT-ICSRJNTNSA-N 429.496 0.419 30 10 ICEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 1588262450 OHMQEXMPKKISIH-IBGZPJMESA-N 435.843 0.831 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C)C1 1595730063 SVSJOMYFGAGQLA-GVDBMIGSSA-N 442.586 0.342 30 10 ICEE C#CCN1CCN(C(=O)CN(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)CC1 1613694163 XKGFGDOAMKUZKV-UHFFFAOYSA-N 442.335 0.764 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCCC2)C1 1620170590 GJXLYHTVRGGKPX-YOEHRIQHSA-N 442.517 0.358 30 10 ICEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1622396279 XVBGXQXJYZMNAY-UHFFFAOYSA-N 443.529 0.999 30 10 ICEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)C(=O)OC 1642414777 CYIWWYAJVLFKJJ-QGZVFWFLSA-N 441.937 0.961 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1690033271 UMUBFOOJEBACNF-OAHLLOKOSA-N 441.579 0.319 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCN(C)C2)n1 1690109369 PCPKPTLVKWDCND-JOCHJYFZSA-N 438.536 0.823 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1)C1CC1 1690545592 VAMSSZNZHXVXCZ-QFBILLFUSA-N 441.554 0.571 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1722295519 LCNOKJUCZKATOV-KDOFPFPSSA-N 447.517 0.846 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1722402308 LHTNTJXDCRZGJL-AWEZNQCLSA-N 436.513 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](F)COC)CC1 1722440248 BBLLLGBTPYTFDX-MRXNPFEDSA-N 443.483 0.876 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](F)COC)CC1 1722443564 LIHNDBUCXPGWLK-LAUBAEHRSA-N 437.516 0.881 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722691799 ABBXSUDQZRFHLD-KRWDZBQOSA-N 444.540 0.437 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1722698349 DSHHQKAXMTZPDZ-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1727658287 DFIXPHYUCCTCEI-JTSKRJEESA-N 437.504 0.922 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1730875578 MWMZZISBVNBIDL-RDTXWAMCSA-N 432.481 0.856 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1740964739 HOALCVODXZBUQL-NDXORKPFSA-N 435.525 0.617 30 10 ICEE CCCN1CCCN(c2nnc(COCC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1745736659 RZEOWNNEALIDOG-VXPUYCOJSA-N 445.524 0.790 30 10 ICEE CCN1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1746411498 GITRSXMMJIBRCH-ZACQAIPSSA-N 439.586 0.834 30 10 ICEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747352045 IJNMWLPLTNRGGP-HNNXBMFYSA-N 427.513 0.830 30 10 ICEE CNC(=O)c1cccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1748158710 DTNPKVNNSKTWSB-SFHVURJKSA-N 437.504 0.732 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CCOC)CC1 1749015777 MWUGAYJFOBMZPY-QFIPXVFZSA-N 446.552 0.154 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1749668668 CGJWAVQYIOWOMA-HOTGVXAUSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749669599 MBMQPXOTDPJHJP-HZPDHXFCSA-N 440.570 0.192 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749745345 ZGHWNGVAJJEYFG-OLZOCXBDSA-N 437.613 0.431 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1760116001 DJSLWMFGYHLJRC-YRISNDGFSA-N 447.561 0.977 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760432910 OHGLTEVKXPAWON-ZFWWWQNUSA-N 425.559 0.895 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1764187922 POLFWRACTRAVEC-MRXNPFEDSA-N 429.481 0.835 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN([C@@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1853619343 BHNRUDDCMPTSKA-JKSUJKDBSA-N 431.514 0.978 30 10 ICEE C=CCNC(=O)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccn12 1858220288 SDIWOHBNYNOPOM-UHFFFAOYSA-N 427.486 0.870 30 10 ICEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)(C(N)=O)C1 2267570948 YBLNHIGSBJNTEM-UHFFFAOYSA-N 448.329 0.766 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)CC1 425959851 UUWPTXYDBQWMLM-UHFFFAOYSA-N 429.587 0.209 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H]4COC[C@@H](C3)O4)nnc12 514227303 YZVDLQPNETZBFV-OKILXGFUSA-N 427.486 0.949 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 514835833 QDEIGWXJJUJZKA-KRWDZBQOSA-N 425.510 0.903 30 10 ICEE N#Cc1cccc(OCCCCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 517662349 ULVSTRAILSDSME-UHFFFAOYSA-N 436.534 0.829 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1S(=O)(=O)NCC#N 569636554 LZEAISSGWUPJOE-HNNXBMFYSA-N 428.536 0.293 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671375 IBVURQNVPNMEOT-KRWDZBQOSA-N 449.536 0.862 30 10 ICEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730139530 QZBPCNZRRKLYEP-KRWDZBQOSA-N 430.534 0.694 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 771790328 GUEHNZVKQOYYAX-BVGIJJTOSA-N 438.440 0.427 30 10 ICEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)nn2C)c1=O 782784076 RMFYNUACUAGRKN-UHFFFAOYSA-N 431.315 0.911 30 10 ICEE Cc1nn(C)c(N2CCN(CN3C(=O)N[C@@]4(CC(C)(C)OC4(C)C)C3=O)CC2)c1C#N 788046238 XMDBSDYMAJFHKR-NRFANRHFSA-N 429.525 0.948 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cn(C)c(=O)n(C)c1=O 819985846 RDZRUIKJRXAILV-CYBMUJFWSA-N 433.490 0.176 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837284711 HSGSKAHCANBQSY-UHFFFAOYSA-N 432.509 0.802 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 1136018626 BNXCXHRUWDGZSC-UHFFFAOYSA-N 436.509 0.893 30 10 ICEE CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)CCn1cc(C#N)c(O)nc1=O 1154832305 YDPBBKRJZYCVEO-NSHDSACASA-N 425.371 0.900 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)CCC)CC1 1300721988 FBYCYNJPPMKRIG-GOSISDBHSA-N 429.569 0.927 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300762248 HMGKEVDBJUQIDD-ZIAGYGMSSA-N 434.609 0.416 30 10 ICEE COC1(C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315265681 VGJBECQLIVYICN-ISLYRVAYSA-N 429.481 0.152 30 10 ICEE CO[C@@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCS(=O)(=O)C1 1350732722 ARGLPIKUCAFIGV-STZPCZCHSA-N 429.520 0.642 30 10 ICEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359058427 CXYKGLUZNQAGIK-MRXNPFEDSA-N 442.520 0.521 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccc(F)cc2O1 1437266040 HTZDMAPNRLUBTI-HNNXBMFYSA-N 433.417 0.831 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507590508 CFSVJATYTSMHGU-UXHICEINSA-N 443.596 0.874 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1508151666 FQOQWSBLUOAXDI-AWEZNQCLSA-N 442.611 0.914 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539259550 FZVSHFGHHPBVNG-HNNXBMFYSA-N 428.493 0.596 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1547715196 GPIUKPKKEDDDCJ-XSAFGROZSA-N 429.525 0.839 30 10 ICEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1547755862 CMUSYLSIERXXJV-UHFFFAOYSA-N 437.504 0.971 30 10 ICEE CCOCc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1548137567 MLYNFHQDGXXXFD-CECJQHFESA-N 429.481 0.057 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1558329137 KGUYYXWUWDOPPH-HZPDHXFCSA-N 437.518 0.823 30 10 ICEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1565697620 HYEISVHNNKMQMB-RDJZCZTQSA-N 430.509 0.050 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCN(CC)CC1 1587563000 WCEJIFYRNHVTNT-SJORKVTESA-N 425.603 0.374 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589059262 DDKIPGDAOGIYEP-CYBMUJFWSA-N 431.522 0.116 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1594097828 ZLXKBOIRAJNFDN-BBWFWOEESA-N 441.554 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595812177 OUQRDAJTOOCDOQ-SJORKVTESA-N 446.533 0.799 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1616923221 XKPQZNAALFWYHN-UHFFFAOYSA-N 427.509 0.949 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C(C)=O)CC2)CC1 1690122271 MHVUNMARNXIRGF-UHFFFAOYSA-N 436.564 0.568 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690257823 VJYFWZAMOACWEI-RTBURBONSA-N 428.555 0.882 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCSC2)CC1 1690375940 YAPWERUEMUHYST-MAUKXSAKSA-N 443.595 0.635 30 10 ICEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1712887037 QUXZTJCFZKQILZ-HNNXBMFYSA-N 428.497 0.519 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1722360447 HUGMGIFKSIATJG-HZPDHXFCSA-N 443.529 0.859 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749730525 HLOIGAYBUDIMFD-DNVCBOLYSA-N 434.522 0.720 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1760185072 OVVGIIYFEBTMDZ-HNNXBMFYSA-N 426.506 0.636 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1770632853 XWWSUZDMXVTYHX-OFXSGMSSSA-N 431.472 0.835 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC(=O)N2CCOCC2)c1 1770745599 ANPQVKGKLMPRPY-UHFFFAOYSA-N 437.504 0.767 30 10 ICEE Cn1cc(C#N)c2cc(C(=O)N3CCCN(S(=O)(=O)NCC(F)(F)F)CC3)cnc21 1852691910 MHNFETCWWJLQMB-UHFFFAOYSA-N 444.439 0.990 30 10 ICEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN(CCO)CCO 1870434298 HQJSQCLPQLQEHI-UHFFFAOYSA-N 445.472 0.567 30 10 ICEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870521911 SJLNKDHRDOZDCP-UHFFFAOYSA-N 436.509 0.450 30 10 ICEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O 2017545972 BMWCCTUSKYGKGQ-MNOVXSKESA-N 447.373 0.847 30 10 ICEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2271679008 LXWULTOMLGDITF-UHFFFAOYSA-N 448.329 0.830 30 10 ICEE COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COC(C)C)cc1 254696849 FILKNUNAEOSVDB-HNNXBMFYSA-N 444.492 0.674 30 10 ICEE N#CC1(c2ccc(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 537470045 LHFIAKLBYUZGFO-SFHVURJKSA-N 430.530 0.303 30 10 ICEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549639233 ZPNJHEUOJPZOLQ-INIZCTEOSA-N 426.543 0.057 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 555257860 ZGFPASXZQZKNKX-DLBZAZTESA-N 441.554 0.573 30 10 ICEE COc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c(OC)c1 735851978 FFCKYTUOFMEKGX-MRCUWXFGSA-N 442.472 0.905 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 751922967 GWYNBZXFXICQFH-CJNGLKHVSA-N 430.534 0.692 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCc1nnnn1-c1ccccc1 767679371 LWOZLOABFOFUAY-CQSZACIVSA-N 426.458 0.987 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 767681022 PKJJTGGUTOKNPQ-CJNGLKHVSA-N 431.474 0.616 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1-c1ccccc1C#N 772304389 VBCPUILACGFBJY-UHFFFAOYSA-N 428.477 0.873 30 10 ICEE C[C@H](CC(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 801274352 JMXXXPTWTQNLDN-CHWSQXEVSA-N 429.520 0.328 30 10 ICEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1195261511 SDBLIOSWVHBABT-UHFFFAOYSA-N 441.575 0.426 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1286399934 RKSDJVSKOJPSLT-INIZCTEOSA-N 449.558 0.435 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)CC1 1286478413 AFUGEBYGQHVHAT-QGZVFWFLSA-N 448.593 0.242 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1286509347 OZNZPTSBWOTTCU-SJORKVTESA-N 441.623 0.704 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1286509500 RNQHSARKAYYXGP-JYJNAYRXSA-N 425.580 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286787269 DWZWHZFRJDTHAM-DLBZAZTESA-N 431.541 0.666 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC=C)C1 1286808423 BSAKCLJLCYJXCG-HOTGVXAUSA-N 444.579 0.562 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286808835 YOAQWLDTALNPHQ-SFHVURJKSA-N 447.561 0.985 30 10 ICEE C#CC[C@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C(=O)OC 1299178114 CVTDHQGJOXLXEH-NSHDSACASA-N 425.186 0.562 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300496742 UNRMZEHSDIXBNV-CQSZACIVSA-N 431.584 0.043 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1[C@H]2CCC[C@H]12 1301568178 DBXLAICDBMBJME-IHRRRGAJSA-N 431.584 0.724 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302496106 LSAPWAINNHTKIC-LJQANCHMSA-N 429.506 0.082 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1316529414 DTWXFFYKUWBRKI-NVXWUHKLSA-N 428.518 0.953 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1358891167 ZXAVCTJDRJBFEX-MRXNPFEDSA-N 446.581 0.801 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1358978928 YBYDDNRISHVWGC-SFHVURJKSA-N 437.525 0.587 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1359010680 WIZUTRAPDKEBCI-SFHVURJKSA-N 438.598 0.947 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359132297 STGIFTQXDVTSAR-LSDHHAIUSA-N 426.543 0.340 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1359332881 JFBODZBAJSDQJK-SJORKVTESA-N 427.571 0.540 30 10 ICEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1504010208 JMHKWTZRQREOKN-KBPBESRZSA-N 440.451 0.789 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507715568 DHQNKEIKUNWISD-IBGZPJMESA-N 427.553 0.528 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1507770922 SKKWSEBJMFHYBY-OXQOHEQNSA-N 434.566 0.817 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(CC)CC1 1539295784 GAVVLHGIFPHMIV-RTBURBONSA-N 449.625 0.377 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCS(C)(=O)=O)CC1 1539480948 HDSJAZVDXRUTIM-QGZVFWFLSA-N 437.566 0.920 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCn1cccn1 1540865260 ZMDZACWPMVDFFA-UHFFFAOYSA-N 443.533 0.984 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1554122072 WTKYOVZQNIYYLR-HLAUDOPJSA-N 445.549 0.869 30 10 ICEE N#Cc1cn(CC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)c(=O)nc1O 1557490010 HJJICNHEHDGEGT-GOSISDBHSA-N 433.262 0.619 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1587860825 CALFVQSABPVYBX-KSZLIROESA-N 438.598 0.943 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045205 HCVCAIGKIRJBHN-KRWDZBQOSA-N 447.561 0.842 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053400 DXWIPPYXKGXJSH-SJORKVTESA-N 434.566 0.342 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588089396 KSUFPGCDCBAXQY-FXAWDEMLSA-N 435.550 0.285 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 1588848802 NJDNRFZOGNPNQT-UHFFFAOYSA-N 434.541 0.703 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1593695642 GTZXOBQPTGAJBM-OAHLLOKOSA-N 428.559 0.540 30 10 ICEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593758454 ZQTOGKWARNIDMY-INIZCTEOSA-N 430.534 0.670 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1595759923 HOBUUYGKBWOUDA-UHFFFAOYSA-N 448.553 0.134 30 10 ICEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1619737875 VNTLAEVJPJCBEH-MAUKXSAKSA-N 448.549 0.996 30 10 ICEE Cc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)N1CCOCC1 1627625456 XSAMMAQPWBDQED-UHFFFAOYSA-N 431.474 0.867 30 10 ICEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1641899043 ACSZZMNCTQIUQM-IBGZPJMESA-N 429.454 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 1671918762 XREGYIBVSXRPKQ-LLVKDONJSA-N 425.458 0.850 30 10 ICEE C#CC1(F)CN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1680801949 YJTDMQBUENMBMJ-UHFFFAOYSA-N 433.483 0.158 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1698254449 KRTSBWRKJKLQMC-VGWMRTNUSA-N 425.511 0.166 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1698317952 RRAXYXIYHSXILW-UHFFFAOYSA-N 443.533 0.567 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1705494471 AEMDJYXZJBAQQI-MAUKXSAKSA-N 443.533 0.765 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1705563231 SYISLGCBQCTYAS-KRWDZBQOSA-N 436.501 0.620 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC=C)CC1 1705647264 BUQOMKBICZBBGG-GOSISDBHSA-N 449.577 0.739 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1)C1CC1 1705854759 NNWKWAVROVBTNI-HZPDHXFCSA-N 437.566 0.830 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1 1712687321 YIKGVPONCDEYGH-MRXNPFEDSA-N 435.506 0.476 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722560316 VZRPGRQUOKPIST-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 1722640839 SEKDIAWJQYIQON-DLBZAZTESA-N 440.570 0.492 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1722692769 WHVOHYNWDZPSSN-UHFFFAOYSA-N 445.524 0.720 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1722696945 VDZILTIQFNIAGC-UHFFFAOYSA-N 434.522 0.338 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1740615730 JXSWICQNDGDPFK-ZDUSSCGKSA-N 437.551 0.251 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1740680653 KCYKJRQHTBXMSU-UHFFFAOYSA-N 434.302 0.704 30 10 ICEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1740742048 AGMQYXRTNIMYRK-UHFFFAOYSA-N 435.330 0.902 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1746686044 QGQMVSBPEAZIAI-IBGZPJMESA-N 440.570 1.000 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1748929799 PSQMKQPTMDYATR-IKGGRYGDSA-N 425.555 0.886 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1748949567 DREGRCTTWPGEEO-YLJYHZDGSA-N 440.566 0.984 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)CC1 1748972632 MGGLUMQPPQBCNZ-CQSZACIVSA-N 438.504 0.970 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749663782 QGXQIABFUYFOBK-UHFFFAOYSA-N 435.554 0.826 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1749669236 IPNCXJBIXHKJLX-HUUCEWRRSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760525003 QGIOPQCZDSSCQJ-UHFFFAOYSA-N 431.585 0.913 30 10 ICEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769331521 QDFDQPNLCIHNHP-HZPDHXFCSA-N 439.524 0.685 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccccn2)C1 1770348241 IDGZJFBBFKKQAF-LPHOPBHVSA-N 449.512 0.691 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 1858337205 XQVZAHTWDIAPGZ-UONOGXRCSA-N 444.435 0.991 30 10 ICEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247875893 FCORSJALKXIUSP-NSHDSACASA-N 445.351 0.306 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631576 AWPJUNGTXZFFQZ-GXTWGEPZSA-N 436.318 0.667 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267174456 FFDXXUFJXAIQAR-NRFANRHFSA-N 448.329 0.878 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286032304 CAEGUFUJXQSCTG-ZWKOTPCHSA-N 437.518 0.471 30 10 ICEE Cc1cc2c(cc1Br)NC(=O)[C@@]2(c1c(O)n(C)c(=O)n(C)c1=O)C(C#N)C#N 1194046 OXJKQFJQRLDODT-SFHVURJKSA-N 444.245 0.762 30 10 ICEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 111046638 NOJZOXJDMCEJQN-UTKZUKDTSA-N 446.529 0.083 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480928176 BNNWAHQOMGBYSB-OAHLLOKOSA-N 431.514 0.857 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOC(C)(C)C1 508913504 OTVYJDDTDSRMMY-INIZCTEOSA-N 442.586 0.344 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O 517847833 BRILWHSTWPWLKH-UHFFFAOYSA-N 447.249 0.827 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 522319067 FZUHOBGOOICSDY-FQEVSTJZSA-N 433.528 0.828 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)C[C@@H](C)O1 603576515 YQOUFZLFRDFIQZ-IXDOHACOSA-N 436.534 0.824 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 742407542 RDHAJZIRBBSYAV-INIZCTEOSA-N 443.533 0.913 30 10 ICEE C#CCN(c1nnc(COCC)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286398178 WKTXCPFAFFHRPP-HNNXBMFYSA-N 425.555 0.604 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286503854 GBEIAKVJLVBBGR-INIZCTEOSA-N 431.566 0.933 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1288801718 AGLAKGXAXRQKDZ-TZMCWYRMSA-N 430.556 0.063 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1300813181 DIJVRYMTEGCFNW-SHQVNNEXSA-N 437.504 0.919 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300991545 UMMQTFMAMAIMAE-ROUUACIJSA-N 441.598 0.930 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)CC1 1301124430 IGKWHXLZHIUFQZ-OAHLLOKOSA-N 426.543 0.102 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1=O 1301887111 GFJBPDQXWHDFSU-UHFFFAOYSA-N 439.520 0.884 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1302496475 WLVGNTJOTGOREA-UHFFFAOYSA-N 443.533 0.567 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1302496734 ZLJLZCQGICLMKE-HZPDHXFCSA-N 446.489 0.870 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1358957756 ZTAARGNYQUBDOQ-QFBILLFUSA-N 444.561 0.882 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358962821 XSZLXPYHWYMLKM-MCIONIFRSA-N 443.476 0.280 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1358979179 FNFQCKFHWAFPEQ-MRXNPFEDSA-N 448.574 0.751 30 10 ICEE C=CC1(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1442994284 POGQMLHZHDFQMQ-CVEARBPZSA-N 443.566 0.414 30 10 ICEE N#CCCN1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1470437023 ATCXAHHYBHWUKA-UHFFFAOYSA-N 435.506 0.072 30 10 ICEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)CC2 1503685622 FJQKLEVEBVTWPY-UHFFFAOYSA-N 435.488 0.872 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507626415 AFLRCXJFORVITG-MRXNPFEDSA-N 430.534 0.883 30 10 ICEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507640984 XGLXKEQAHMRJLT-QGZVFWFLSA-N 445.545 0.880 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O 1507953167 DEMTUYXLOLGPNH-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508080864 FDACWXKZCDNABW-INIZCTEOSA-N 441.467 0.859 30 10 ICEE CC(C)Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1541468731 PCPFLCJVTOUARO-UHFFFAOYSA-N 441.536 0.970 30 10 ICEE CN1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1554363129 LZYARMBRGQWYSB-FMQUCBEESA-N 436.476 0.069 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCCCCO)c1 1555988214 UPEDGXMLWXOUKM-GOSISDBHSA-N 437.504 0.516 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1556749681 OCZBZXGDQFIBKQ-OAHLLOKOSA-N 433.442 0.614 30 10 ICEE C#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1558423700 WSCVNRNDVCXQCX-QGZVFWFLSA-N 431.514 0.838 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 1587300017 GGZCVUCWFRCFNT-HXUWFJFHSA-N 428.445 0.768 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1587705299 ANOOUJYERSHRIT-GOEBONIOSA-N 437.570 0.732 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595507008 SYXXPRJDECELRF-QFIPXVFZSA-N 440.504 0.981 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1595543953 CJIXKEBNRSGSCC-RCCFBDPRSA-N 448.568 0.842 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595569544 IXSRSQWWDLOFKA-QGZVFWFLSA-N 439.520 0.758 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595595718 YMTKAQQYDRFTPH-CQSZACIVSA-N 437.497 0.922 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1595773062 OUCOMKSFZCHHBM-UHFFFAOYSA-N 437.522 0.742 30 10 ICEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2=O 1617481421 USFBQNXSPALVAO-NIHZBZNOSA-N 436.534 0.520 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1 1632965845 DVKRVKXXNJSXRU-CQSZACIVSA-N 434.946 0.634 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@]34COCCN3C(=O)COC4)C2)C1 1635845434 QFOBHEMVINXKGH-BILMIZPOSA-N 448.520 0.517 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 1636480881 YZLZQXJELCBAEF-UHFFFAOYSA-N 437.518 0.633 30 10 ICEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1641040945 NTSJYKQYQPBCFE-UHFFFAOYSA-N 434.514 0.845 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 1643372218 BGLCZJBHPOKNJJ-ICSRJNTNSA-N 448.545 0.217 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 1680227859 JUMAKDLYBZMSNG-KXTWHKPSSA-N 447.605 0.938 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689998611 QUFJETGDTXYTFB-ZWKOTPCHSA-N 443.529 0.904 30 10 ICEE Cn1cnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1696871414 FCZWBLMJWPODLB-OAHLLOKOSA-N 441.883 0.767 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705905945 MBDUXBBCCCWLPD-MRXNPFEDSA-N 433.538 0.277 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722367662 WVNFDTLNVCZWLW-FXAWDEMLSA-N 447.586 0.759 30 10 ICEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)CC1 1722436903 HFERMTZJQXCKOO-UHFFFAOYSA-N 437.552 0.296 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1722692760 VRSHVOULCNVGMQ-UHFFFAOYSA-N 427.513 0.144 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)C1 1722710327 HCCDZRCMGRSVPQ-LBTNJELSSA-N 426.543 0.148 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)n1 1742710079 MDKUCYBVQKWQMN-LJQANCHMSA-N 428.541 0.715 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1748571760 GTLNETACHQWBGV-SFHVURJKSA-N 438.485 0.953 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748817896 SENVVRZDWUQIOO-HUUCEWRRSA-N 449.499 0.730 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749671182 ZMXZOHCWWUCPPC-QGZVFWFLSA-N 431.541 0.812 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760510409 WXSBHJDPGCDIJC-CVEARBPZSA-N 437.526 0.108 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1761238030 HNWRWXRMRPDIJT-SJORKVTESA-N 446.556 0.088 30 10 ICEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CSC1=O 1869933986 UJIBWSXJGAIZKY-IAQYHMDHSA-N 438.531 0.951 30 10 ICEE CCOC(=O)/C=C(/c1ccccc1)N(CCOS(C)(=O)=O)CCOS(C)(=O)=O 105089157 NQBYHMVJXVJSBG-PEZBUJJGSA-N 435.520 0.845 30 10 ICEE CC(C)N(C[C@@H]1CCN(C(=O)[C@@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687470 RDTSHUQSOUZTAU-WBVHZDCISA-N 434.346 0.192 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 549290003 FLBLNKDVDQHNTP-XHSDSOJGSA-N 429.543 0.427 30 10 ICEE C[C@H]1CN(CC#CCN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC[C@@H]1N1CCN(C)CC1 551394755 OSJFKMPLGCRKCU-POYMRFPPSA-N 444.712 0.905 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 577432361 KSROOMRKTWBESE-UHFFFAOYSA-N 431.478 0.979 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 584438856 RQEAOAYYBUFSIX-OAHLLOKOSA-N 426.543 0.246 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)ccc1F 744679044 NBBHOLCXCDENGI-UHFFFAOYSA-N 435.481 0.346 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780678134 LCZCVQVYTWXLPR-QFIPXVFZSA-N 430.505 0.518 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cn1 807936706 PXHAYQUHHBEUJE-OAHLLOKOSA-N 433.542 0.231 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3noc(C)n3)CC2)s1 1144004352 YJLXDOXEVPDFGO-UHFFFAOYSA-N 425.536 0.791 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1251540281 VDAVKVRNDJILDL-UHFFFAOYSA-N 445.549 0.712 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286385958 RSCYZAXKQHTSDA-CABCVRRESA-N 431.584 0.358 30 10 ICEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1286786542 GNBVCDIFISWPGY-UHFFFAOYSA-N 443.533 0.810 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1286958747 BKXZBTYVAFAFBX-CABCVRRESA-N 425.559 0.887 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1300476961 ZCBNUXBGUHAPRB-AWEZNQCLSA-N 426.543 0.969 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300486800 BHUXQWMKBKSMBS-GDBMZVCRSA-N 430.534 0.815 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1300541458 VDXINVJMNSBPOL-UHFFFAOYSA-N 431.500 0.838 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)CC1 1310379792 WBJQZYCOOYYJRN-UHFFFAOYSA-N 431.522 0.560 30 10 ICEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1350388733 RNZBNXDTKNWCHH-UHFFFAOYSA-N 431.470 0.927 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1358971104 IKKPVWZEZGSBBH-UHFFFAOYSA-N 431.294 0.967 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1508088484 BDWBMYJLICKYOC-IAGOWNOFSA-N 436.582 0.547 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1508090066 HGQPQRGAUAIQFC-HNNXBMFYSA-N 440.570 0.382 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508093234 UQXGRBJLRJEQIY-WBVHZDCISA-N 447.565 0.285 30 10 ICEE CCO[C@@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1516233384 ZKZMHDNBQDDKDR-NRFANRHFSA-N 444.492 0.738 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1540037288 HGUIVNMASAQTSK-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cncn2)CC1 1540873837 LOGPNXMHUIGSDA-UHFFFAOYSA-N 427.513 0.211 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541661862 QRQWLIYVZHOASE-XXJLXKPQSA-N 443.508 0.560 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCCO 1544582572 MWKGECRAKHZRDO-JKSUJKDBSA-N 439.524 0.769 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1587909376 JRYAQUVKGCVKBK-INIZCTEOSA-N 432.550 0.843 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588058849 DOQQEAIIVVCSLW-KNQAVFIVSA-N 444.557 0.955 30 10 ICEE C#CCN(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)OC(C)(C)C 1630390989 MRWNFUJCCJULFV-UHFFFAOYSA-N 428.489 0.745 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2c(C)nn(COCC)c2C)CC1 1632966000 HRPYXPZQVHUQOI-OAHLLOKOSA-N 425.555 0.284 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)CC1 1644285687 XABYOBSYTZUXTI-BRWVUGGUSA-N 438.347 0.947 30 10 ICEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1S(=O)(=O)NC1CC1 1648155963 TZOWVFLEUWSDRI-SCLBCKFNSA-N 439.515 0.146 30 10 ICEE N#C[C@]12CN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1655770931 UAFLGXJHKPEWJK-SCLBCKFNSA-N 435.506 0.977 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690288206 MNAZBWSWIFISSB-CABCVRRESA-N 436.538 0.523 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1696084562 BZLDVSHNUBVBCW-FOIQADDNSA-N 430.465 0.682 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)CC1 1705647272 CAAYERJBJZNMNA-QZTJIDSGSA-N 447.561 0.839 30 10 ICEE COCC1=CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712219881 ANLZLDUEALNUEL-ZJYNUGOYSA-N 441.492 0.539 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(C)CN(C)C2=O)n1 1722429173 IEMQFZFWDKNSAL-HTAPYJJXSA-N 441.536 0.743 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCO[C@H]2CCOC2)CC1 1722432739 CJDWQLIARKINGQ-UGKGYDQZSA-N 433.553 0.881 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740700988 PYUBQOJECWGLMF-FYQPLNBISA-N 433.553 0.809 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCCN(C)C)CC1 1740704980 ZURZMOZYOMESSQ-UHFFFAOYSA-N 426.525 0.279 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748817435 KRWAFVAPQPBDRV-RSJDLPBQSA-N 428.580 0.567 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749729693 ONXRVOQRACFCKF-UHFFFAOYSA-N 440.551 0.023 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1760351495 HWLYNDPPJRHYQF-CABCVRRESA-N 428.559 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760555905 QHIAFXLRXMFTLM-JKSUJKDBSA-N 425.555 0.878 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763202536 IBUPKXWWWIDBSF-JXLCAQNNSA-N 436.476 0.581 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2=O)CC1=O 1854710763 VGURYCCUEVWACZ-GJZGRUSLSA-N 435.502 0.478 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)C[C@H]3CCc4ccccc43)C(=O)C2)C1 1856830713 SGXIWSNCENAMOD-QZTJIDSGSA-N 430.530 0.705 30 10 ICEE CCOc1ccc(CC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856850278 MLNTVWGZQXTGIE-KRWDZBQOSA-N 434.518 0.226 30 10 ICEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870476362 NVHKJSHPLIEYKC-UHFFFAOYSA-N 443.504 0.715 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCO)nc1C 1872706836 QMGXGSRFWTXWDH-UHFFFAOYSA-N 425.423 0.307 30 10 ICEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cn1 503433308 XUIYTDHRURLOGD-LJQANCHMSA-N 439.538 0.951 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](C)O)cc1 546904448 ZZSQREIPZQUVKQ-UZLBHIALSA-N 443.529 0.638 30 10 ICEE Cn1ccnc1CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729975022 MUDGEQBSKOJTRU-UHFFFAOYSA-N 430.534 0.583 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cn1 730143982 GKKFLILDVVGVST-OAHLLOKOSA-N 435.554 0.181 30 10 ICEE Nc1nc(CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)nc2ccccc12 735879195 AQZCBWIVWUNXHL-XDOYNYLZSA-N 435.488 0.773 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774263293 YIKIWEUAQDVDED-KRWDZBQOSA-N 441.575 0.953 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804960414 QPTLLVRGBZXGGQ-LLVKDONJSA-N 445.462 0.791 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCO 1166713282 CXFKLPGYYJRWTO-UHFFFAOYSA-N 431.880 0.185 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1286325567 ZICNUQGKEAENLO-HOTGVXAUSA-N 440.570 0.233 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1286788247 SOKSFJPLAHPZOY-HVEKOLDVSA-N 438.554 0.435 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1286822363 DDQQKSRSJTWIAT-ZDUSSCGKSA-N 428.584 0.619 30 10 ICEE CC(C)(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287037816 IAPQIYFIGRKSPC-MSUUIHNZSA-N 436.538 0.628 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1299321385 DAEOXZASXPFPIY-PBHICJAKSA-N 434.522 0.485 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1300630945 KBHYGJFMDCOYCU-IBGZPJMESA-N 436.626 0.913 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1301613478 YYCICGYMTMLMRG-CABCVRRESA-N 431.584 0.755 30 10 ICEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1302982032 DMFQWGJXWQCQPY-WBVHZDCISA-N 428.518 0.953 30 10 ICEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)O1 1303956013 YJCASBURYRXATJ-OKZBNKHCSA-N 437.518 0.832 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1 1305006510 KVAHIBQCYLDLBT-MRXNPFEDSA-N 432.506 0.164 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 1311422760 JLBHWYWDPYRLHP-AWEZNQCLSA-N 440.522 0.568 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1359031108 QIUUPHPQECJJDO-NFBKMPQASA-N 446.596 0.654 30 10 ICEE O=C1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1505357651 DMQGVPBTTKHTIN-DQRAZIAOSA-N 449.515 0.916 30 10 ICEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCC)CC1 1507757320 XSSLSANTZGKGCW-UHFFFAOYSA-N 427.578 0.888 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COc2ccccc2O1 1510216855 DIHNTRHSUVGULX-SOUVJXGZSA-N 448.505 0.457 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1516850413 GRZGSQQOLOMZPA-WMLDXEAASA-N 444.583 0.250 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1555818437 ZKCIMQMPHNSDAM-HOTGVXAUSA-N 429.506 0.081 30 10 ICEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)CC1 1555993628 BSIFIBQRUYTPRB-UHFFFAOYSA-N 429.525 0.813 30 10 ICEE C#CC[C@@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OC 1556971243 SZPOQFRTLCNVLK-CRAIPNDOSA-N 438.502 0.832 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1 1564650959 SIPPELYBOXNLKV-IBGZPJMESA-N 443.529 0.384 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1587989894 PZLOITVQJFKMTQ-HNNXBMFYSA-N 438.485 0.294 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)CC1 1588750381 CSSOOLDQVGDNPQ-KNQAVFIVSA-N 433.553 0.879 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C2CC2)CC1 1588751401 KHSCLBOHXWYMOV-QFIPXVFZSA-N 430.553 0.600 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1595530209 WRQFJTIPVAIMKG-UHFFFAOYSA-N 435.554 0.874 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)OC)C1 1595728381 BJISVNWRGRVBDP-ZACQAIPSSA-N 443.570 0.817 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1596750714 CTOXHVQDROPZPY-MJGOQNOKSA-N 437.504 0.970 30 10 ICEE CNS(=O)(=O)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1596982601 MSSYLMISQWRYJL-YYHKSVKZSA-N 426.539 0.923 30 10 ICEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 1618705030 DQRVDPWQAFYPGQ-NVXWUHKLSA-N 425.942 0.964 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1625671397 FNTFPXMKAXMXEA-UHFFFAOYSA-N 435.554 0.383 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(CN4CCCCC4)CC3)CC2)o1 1655066514 NTTLKRGTPAAHSX-UHFFFAOYSA-N 430.553 0.816 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1669433000 XMLIUXQUMZHTRI-UHFFFAOYSA-N 439.538 0.560 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689987808 CPXPFRALLXWELQ-IKGGRYGDSA-N 434.566 0.340 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1690699358 CXKQWZDCJZIZPD-CVEARBPZSA-N 426.539 0.503 30 10 ICEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697832674 OVKPNJJSXUEIOW-MRXNPFEDSA-N 428.497 0.776 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705532142 HDISDVCUYYHLCH-AWEZNQCLSA-N 429.568 0.112 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1705612423 GTSIUFSBJAOMRO-GOSISDBHSA-N 438.598 0.945 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1705641163 UVRIADSKTJGGEQ-UHFFFAOYSA-N 449.552 0.824 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1705651565 BHYUDWDHIGTJMI-CQSZACIVSA-N 442.611 0.702 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC(C)C)C1 1705916156 ZTCAWBBKTVXLFO-INIZCTEOSA-N 440.570 0.623 30 10 ICEE CCOCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1710730862 ZJMXQGQDQPSMDT-HLAUDOPJSA-N 431.497 0.398 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)CC1 1731185593 HRQTYCHUWLFNIS-MRXNPFEDSA-N 441.579 0.745 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1740991552 YXJAKMPBMFMTKC-QGZVFWFLSA-N 447.565 0.943 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1748752444 XKIZQTFUSQAFFT-IRXDYDNUSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748817464 KYXRQLXPCIRUIG-CABCVRRESA-N 434.522 0.597 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760470786 CLPMYOZWJHCCCS-ZIAGYGMSSA-N 446.599 0.325 30 10 ICEE COCCN(CC(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CCC1=O)S(C)(=O)=O 1856939875 ZOUIIMLHVYCOPV-QGZVFWFLSA-N 428.555 0.285 30 10 ICEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)C(=O)N(C)C4=O)C2)CC1 1872933624 PSBZUWBMNMXBOC-HNNXBMFYSA-N 438.484 0.806 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)CC1=O 1872995094 SPHHTLBIIRDVIE-IRXDYDNUSA-N 442.491 0.884 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)C(=O)NCC#N)CC1 2215053710 WEAUUUSTOCGGCI-UHFFFAOYSA-N 439.513 0.943 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)n1C 2315523160 LYKZMYHKNPHOTH-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 431528735 AVGUNUQQLMKIDR-UHFFFAOYSA-N 448.545 0.312 30 10 ICEE COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 501761514 HRCGCGCJOJWXRM-UHFFFAOYSA-N 441.509 0.225 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 511139683 IBLKROGCSHDGNW-IAGOWNOFSA-N 439.607 0.813 30 10 ICEE C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 553732381 CYENDGRKGNDTHS-UHFFFAOYSA-N 434.562 0.999 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 588152443 TZJDQGNFJJRKLK-MRXNPFEDSA-N 426.542 0.755 30 10 ICEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774176173 ASEBTYJAOMTKSI-GOEBONIOSA-N 427.548 0.830 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3ccc(C#N)s3)ncnc1-2 797824807 WFXMKEGPVAAWOY-UHFFFAOYSA-N 442.324 0.823 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ncccc3C(=O)N(C)C)cc2C1=O 916190003 ORZDDGLDKIQLLK-UHFFFAOYSA-N 442.453 0.684 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 917688419 RUGDBDSIXNIDEM-XQNSMLJCSA-N 443.489 0.582 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)CC1 1152967421 HGMAYIHVDOKLRF-INIZCTEOSA-N 428.461 0.144 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CCN(C)CC1 1178974282 HXRCWXYGEHIFBN-GOSISDBHSA-N 435.594 0.846 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286432815 YXGZVRILDOXTHL-QGZVFWFLSA-N 432.550 0.145 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)CC1 1286470592 AELBHHPEPLNPNP-IAGOWNOFSA-N 436.582 0.460 30 10 ICEE CCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1294196915 SGMJNOCPYZZVIO-OHTQGHCMSA-N 436.538 0.943 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1297992675 GNECPTXZIHSJLG-UHFFFAOYSA-N 432.506 0.442 30 10 ICEE Cn1cnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)n1 1298863980 DXEQHSULYDGJEJ-GOSISDBHSA-N 430.469 0.967 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 1302923734 DGVLEWNEDLFRAK-UHFFFAOYSA-N 445.295 0.512 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(C)COCCO2)CC1 1359044138 WUPUBWFFFKNNPI-OAQYLSRUSA-N 425.493 0.506 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1359142065 ACMMXXHNZLMKDD-ZDUSSCGKSA-N 426.934 0.757 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 1449812760 DPOJDCQNSVNIJU-OAHLLOKOSA-N 425.507 0.556 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)n1 1463630295 CHGQLCZLLNIDKR-UHFFFAOYSA-N 425.532 0.898 30 10 ICEE C#CC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(=O)OC 1463852954 BKNFPKJBPXCMBO-SNVBAGLBSA-N 430.280 0.483 30 10 ICEE C=CCn1cc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)nn1 1463927257 RLVRWVREWCPNPI-UHFFFAOYSA-N 437.450 0.916 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)CC1 1477352988 FMJZOWZIJFDCCF-UHFFFAOYSA-N 443.570 0.571 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CCO1 1503770218 DRTJEYXRDPMMBA-RBUKOAKNSA-N 440.504 0.964 30 10 ICEE CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503927976 FGMSQNUFOXMNFM-GJZGRUSLSA-N 448.553 0.516 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnn1 1507606539 PEXCLGSBGMUIQI-UHFFFAOYSA-N 428.522 0.947 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1516225045 KUBGUEAUHGELMF-OXQOHEQNSA-N 430.465 0.394 30 10 ICEE COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1518730133 CIFCABQNXPUTFO-MRXNPFEDSA-N 441.492 0.597 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccnn1C 1538547158 BWLMFPPMXSFGAY-YADHBBJMSA-N 436.516 0.925 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1539210940 IHUBSVVWCFGRRG-INIZCTEOSA-N 428.518 0.493 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1539420094 BBBMEUUJSAZKKP-FQEVSTJZSA-N 432.550 0.422 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1539750502 QHHFZWGFEGNMKX-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1540876867 DPSJOMVWMRDUCF-LPHOPBHVSA-N 442.524 0.421 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540877565 ZCMLJMPNDSDVRN-IEZWGBDMSA-N 445.524 0.616 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)C1 1540894584 AVYNHGCKPCBRBW-INIZCTEOSA-N 432.525 0.464 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1540907471 XYHCCAWWIOMNDA-QGZVFWFLSA-N 449.581 0.798 30 10 ICEE N#C[C@@]12CN(CC(=O)Nc3ccccc3S(=O)(=O)C(F)F)C[C@H]1CS(=O)(=O)C2 1560168172 BXPBALDPRGUGID-ZBEGNZNMSA-N 433.458 0.492 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1588055219 UAQPSHWQGKTTKM-MRXNPFEDSA-N 443.595 0.502 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccc(OCC)cc3)no2)CC1 1643372723 YQKRUHZWDHJFRA-UHFFFAOYSA-N 447.517 0.680 30 10 ICEE C=CCCC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OC 1645503006 JWQPURXVHFNVCN-JTQLQIEISA-N 426.271 0.907 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1664134536 BEYQDSBAWBQASD-KRWDZBQOSA-N 441.575 0.392 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982399 MKSPJPIBONCBPV-KRWDZBQOSA-N 426.502 0.532 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690301876 ZZIOMXOYIOJVIG-ZNMIVQPWSA-N 426.543 0.196 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 1690375176 CHHSXAVRGWSQRQ-HNNXBMFYSA-N 426.543 0.246 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCS(C)(=O)=O 1693744673 AJIQKNQBXSAADE-AWEZNQCLSA-N 441.521 0.695 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705936716 XASCCHJIUDGFMM-LSDHHAIUSA-N 447.583 0.058 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)c1 1711414247 FUNHLWGHMPYYGM-AWEZNQCLSA-N 433.538 0.969 30 10 ICEE C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1712835437 ZTDLLQNRDKEQEK-LFKKDODXSA-N 437.504 0.997 30 10 ICEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722340201 QNWSPCBKLCPOFF-INIZCTEOSA-N 438.488 0.426 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722692496 OANMYKOZIVEJAY-KRWDZBQOSA-N 446.552 0.838 30 10 ICEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723090031 KGQNELCSSRBLKC-UHFFFAOYSA-N 435.492 0.986 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)CC(F)(F)F)n1CCN/C(O)=C1/N=CC=CC1=O 1723559258 GSOKNWPZSDWMTB-OWBHPGMISA-N 429.403 0.941 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740639664 ULFZVZHLGRJHEO-FQEVSTJZSA-N 446.559 0.887 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740782601 WQUBKGKQKWLMHR-YJYMSZOUSA-N 436.538 0.571 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748283059 CSLSEVPXXCMMPM-QVKFZJNVSA-N 425.493 0.818 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1748789780 CJDNXCITWMANFS-SFHVURJKSA-N 432.550 0.795 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1748859568 UWYOJTLSZQTGEL-QGZVFWFLSA-N 433.559 0.988 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1748962414 HJHZVMLFYWJYDE-QFBILLFUSA-N 441.623 0.704 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760553740 HHWVBMIAUGFJNH-INIZCTEOSA-N 435.554 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1760553741 HHWVBMIAUGFJNH-MRXNPFEDSA-N 435.554 0.493 30 10 ICEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)COCCO1 1761567886 OSPASTXKWNAHRL-HXUWFJFHSA-N 446.533 0.704 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1767214806 BQXIEXWMMGSYPI-UHFFFAOYSA-N 448.535 0.744 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H]1O 1769448419 AJULRGFMCJDGDZ-QZTJIDSGSA-N 441.488 0.718 30 10 ICEE Cn1c(N2CCN(C(=O)c3nccc(-c4ccccc4)c3C#N)CC2)cc(=O)n(C)c1=O 1851326980 PHFJXSHEFKMVOK-UHFFFAOYSA-N 430.468 0.980 30 10 ICEE C=CCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)[C@H]1C 1854273246 LHCKWRYESACCQE-CHWSQXEVSA-N 428.415 0.863 30 10 ICEE COCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccs2)c1=O 2059845925 PEVQONAUCLGBNM-CQSZACIVSA-N 433.555 0.806 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NCCCS(N)(=O)=O)cc2Cl)OC1(C)C 2282306531 OJMMHQLCVGPDJR-UHFFFAOYSA-N 444.793 0.658 30 10 ICEE CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O 13581244 ULSBWQWKNJASCN-QXKUPLGCSA-N 446.614 0.531 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CC1 108935953 ANLQYNMKVVLOFZ-UHFFFAOYSA-N 438.550 0.662 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 460933678 QHSCYKLVLHWMSZ-JYJNAYRXSA-N 438.554 0.435 30 10 ICEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 469938516 KLYANJSMEHQMJB-KDOFPFPSSA-N 430.486 0.911 30 10 ICEE CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1=O 515563526 SQSVPSRZXOLETR-UHFFFAOYSA-N 425.493 0.472 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 732465069 DJPYLRLAKXLZDD-VHEBQXMUSA-N 441.444 0.409 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccccc1C 743725100 CYZULOZSXWSJSW-UHFFFAOYSA-N 449.536 0.856 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1=O 749197932 YNCXIBRLCHUXQI-ZSOIEALJSA-N 446.485 0.108 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 772699565 BEDKHZHQMAVPCQ-MRXNPFEDSA-N 426.516 0.207 30 10 ICEE COCc1nc([C@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 779701622 ZHKASLRVHVQHNT-CQSZACIVSA-N 449.489 0.635 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 917925471 HBAFJDVAKUMEQP-OAHLLOKOSA-N 446.572 0.282 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)CC1 1286472243 RJCBLSNIFIMJGH-HNNXBMFYSA-N 426.612 0.929 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1299027307 WGTHZKWYHBCIEG-BFUOFWGJSA-N 432.506 0.656 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1300556126 CCVKKTBZGLSVIT-VQIMIIECSA-N 438.623 0.789 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1300708574 VEVJGGONJAZHDP-UHFFFAOYSA-N 443.533 0.033 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1301593068 HZHKRUYUOJRPCK-UHFFFAOYSA-N 449.581 0.832 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@H](C)C1 1301726790 YWQSWCWUWZULJD-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE C#CCN(C(=O)NCc1nnc2c(=O)[nH]ccn12)C1CCN(C(=O)OC(C)(C)C)CC1 1313307923 WUYUSRKAPUESEB-UHFFFAOYSA-N 429.481 0.962 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359059788 AAVWQHQQBYSCIS-OAHLLOKOSA-N 445.549 0.240 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1359208791 UEANOOHWACMQMH-AWEZNQCLSA-N 434.588 0.326 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359303205 HLODRWZBWNGIAQ-QFBILLFUSA-N 429.569 0.522 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359331832 IYAHFLJWEYWKFJ-JKSUJKDBSA-N 438.554 0.135 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1 1454491105 DAHOAMZJJZLQMJ-LJQANCHMSA-N 428.514 0.624 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1503276444 ARSOQDOBJRKBKY-ZIAGYGMSSA-N 432.572 0.105 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1505001021 SMCBSMOXWHOFGF-QZTJIDSGSA-N 436.557 0.966 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507868422 JQCMQPWQRDGEFN-LBPRGKRZSA-N 442.929 0.453 30 10 ICEE Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511896490 ANTKNYNXOMWCHZ-RUNIHZNKSA-N 442.524 0.695 30 10 ICEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539490279 ALVJVNWVKBLTQE-UHFFFAOYSA-N 434.566 0.275 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539517633 QFOYSLNKTBMKAJ-MSOLQXFVSA-N 432.594 0.891 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541277947 USSXPLHNFRZBQA-IAGOWNOFSA-N 428.541 0.568 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1565002549 LICJHXYXFZYOSJ-QGZVFWFLSA-N 427.571 0.112 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1565406209 WGBUFAVUZABFBL-LWGWVAHUSA-N 428.511 0.200 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)CC1 1588924060 UYHBSBYJXRTPED-KRWDZBQOSA-N 441.536 0.254 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1594732448 DDCCBXPGADHQBE-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1611686307 DLKMQRUFLGQFQN-DFEHZGFQSA-N 442.517 0.668 30 10 ICEE CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1613422518 CZQFKJOAPIMAJH-LSDHHAIUSA-N 426.481 0.959 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 1643372276 DLGKMJGSBPVMAM-UHFFFAOYSA-N 444.351 0.620 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1665598047 HRQSSUHDTPITDE-UHFFFAOYSA-N 442.563 0.236 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1690485670 ZOUFGAGAKJNJJI-HNNXBMFYSA-N 425.555 0.878 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1705582880 LMOYFBIZTXVXNZ-CQSZACIVSA-N 431.465 0.313 30 10 ICEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1711016174 BVOYYIUMSNIIPD-LJQANCHMSA-N 440.552 0.953 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1722391790 USCJKBULCBYFSQ-QFIPXVFZSA-N 439.520 0.993 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCOC2)CC1 1722449358 PZWXNOJIQUDNTD-OAQYLSRUSA-N 444.561 0.751 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722698858 NRTBXJUQYIMGGN-IXDOHACOSA-N 434.541 0.452 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1740550150 HUCOFISJCKTFNF-GDBMZVCRSA-N 426.506 0.662 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1740611105 UKTFIZAFBIZXNN-KRWDZBQOSA-N 446.533 0.709 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1740794767 HVBOQMPIXWSRKQ-OAHLLOKOSA-N 429.543 0.429 30 10 ICEE C#CCN(c1nnc(C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748804442 HTGDKGZXRJUYOJ-QGZVFWFLSA-N 436.559 0.859 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)CC1 1748990153 UNLZGZXFVRWDHA-MRXNPFEDSA-N 433.538 0.260 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1 1749670416 SUYIHFHZOXZIJP-QGZVFWFLSA-N 444.561 0.939 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1749740664 XKYSYHXXRNLWNS-BEFAXECRSA-N 442.538 0.530 30 10 ICEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)n1 2255826874 DXNVCKWNJBZFMP-KGLIPLIRSA-N 436.318 0.429 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2267875182 DWUQLCUFMUWXHZ-UHFFFAOYSA-N 448.285 0.580 30 10 ICEE C#CCCN1CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286044917 MTVUEZAXUNUFQO-ZWKOTPCHSA-N 437.518 0.471 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488828476 XAIHCJAASFECKN-UHFFFAOYSA-N 428.467 0.997 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732648083 NWKRVTWWDKWIFO-IBGZPJMESA-N 431.562 0.500 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)cc1 737255053 VCFYARZLBLJFCA-BWAHOGKJSA-N 444.517 0.483 30 10 ICEE CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(CCc2nnnn2C)C1=O 771542786 KVHAVBXRYNUXBK-JDAKFOBDSA-N 444.565 0.715 30 10 ICEE C#CCn1ccc(CN(CCOC)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 788560512 UVCLQPFCFIMCSA-UHFFFAOYSA-N 432.550 0.500 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(CS(C)(=O)=O)COC2)c1 1136281509 HIEWVIULHVJCND-CYVLTUHYSA-N 429.520 0.499 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2ncnc3ccccc23)CC1 1152967993 WTQKPRUXIPHUKW-GOSISDBHSA-N 428.518 0.210 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC2CC2)CC1 1286491398 QFJZMJNNQSUHHA-UHFFFAOYSA-N 435.532 0.756 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1286715415 YXKOXTDAOWNTOZ-QXKUPLGCSA-N 448.549 0.318 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O 1286758088 COGFMNDOWKACHH-DNVCBOLYSA-N 438.554 0.268 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300479652 RAKOICUNSXTYMP-YWZLYKJASA-N 446.533 0.713 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1300503909 HEYCGLAXCSATAC-HNNXBMFYSA-N 435.506 0.351 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1300885778 SKRNBWCIROMMNO-OGWOLHLISA-N 432.525 0.681 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1301501454 XGVQLETXDAPONN-OWCLPIDISA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1301506505 MCCJZJUTGLCSBJ-UHFFFAOYSA-N 436.513 0.392 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358957668 YCAPBGCVOCOKNJ-DOTOQJQBSA-N 437.522 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359332445 YBVCYJBUADPEEN-IKGGRYGDSA-N 437.566 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359335034 YFUOJPVVMGZYRM-HZPDHXFCSA-N 425.555 0.863 30 10 ICEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)cn1 1448872817 DWJSXSWUPPWPSB-UHFFFAOYSA-N 445.545 0.781 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 1451467390 QTEQYXUIQLWQAF-UHFFFAOYSA-N 434.562 0.125 30 10 ICEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1457026739 FSVITTMDPZZFNH-OAHLLOKOSA-N 434.453 0.136 30 10 ICEE N#Cc1cn(CCNC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c(=O)nc1O 1470809559 DJGGDPNLUGIYOY-MRXNPFEDSA-N 432.868 0.679 30 10 ICEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370418 HNZPUXLZYKUEQO-RISCZKNCSA-N 433.465 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 1478551148 RXCUCBJYWJKWAG-HZPDHXFCSA-N 443.570 0.569 30 10 ICEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1494657273 BGYVUZIIVGMHDL-QRWLVFNGSA-N 449.533 0.749 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1507538810 OXRSAJITBCJQRX-HOCLYGCPSA-N 434.522 0.521 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507952942 CBWKAZBKDBGNMO-JKSUJKDBSA-N 445.611 0.912 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1508079583 ZQJCFWOHOQJSKB-UHFFFAOYSA-N 428.493 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1508090113 HPQFDSZUNQPPDQ-GJZGRUSLSA-N 428.559 0.538 30 10 ICEE N#CCNC(=O)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1525371964 ACWNXPYSUJEVLU-DZGCQCFKSA-N 442.335 0.798 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1539013579 JBUZPNIHHQSLPQ-CXAGYDPISA-N 435.554 0.468 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 1539432259 ZNXZFWPEEVGDAE-HNNXBMFYSA-N 446.533 0.421 30 10 ICEE Cc1cc(C)cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)N4CCC(C(N)=O)CC4)[C@H]3S2)c1 1614399353 HGBBOGKQPWGSGN-UURKPOQGSA-N 446.573 0.830 30 10 ICEE C[C@@H](CC(=O)N1CCC(O)(c2ncnn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1643916870 GCKKPGQCUMWQOT-ZDUSSCGKSA-N 432.506 0.142 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1OC 1690032739 IBNPJCDTEBTULI-OAHLLOKOSA-N 446.533 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690727140 VGNXKANSNYCMMB-GOSISDBHSA-N 439.582 0.953 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692560800 ZLCYZWKWDAOGSN-LZICOFPGSA-N 445.524 0.659 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCCC1 1692799397 HAFVHLKUVNHUGG-GDBMZVCRSA-N 426.543 0.966 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2nnn(C)n2)c1 1705506517 ACVLSDFUUPLBFO-UHFFFAOYSA-N 442.487 0.892 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705829586 WMTGMRPSCLLJRE-MSOLQXFVSA-N 445.568 0.565 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1707951889 GEJGKKPBELHLAW-XOBRGWDASA-N 444.517 0.033 30 10 ICEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723708057 QIZCFUGECDPKIQ-NVXWUHKLSA-N 439.586 0.880 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1740671999 UGYKAQKIELJMRP-SFHVURJKSA-N 433.534 0.611 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1740876244 PKMZIVLRQBINQU-MRXNPFEDSA-N 440.570 0.636 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1740955339 QRPHZQHJRFDMNG-CQSZACIVSA-N 428.493 0.837 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740964532 QEMRCSLKCMQFLB-MRXNPFEDSA-N 440.504 0.979 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1741104765 NPGPWFFBQUMIQJ-WOJBJXKFSA-N 440.504 0.964 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1749119096 NJTDIKWSGZHGTE-JJXSEGSLSA-N 440.570 0.571 30 10 ICEE COCc1nocc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1749454660 CXFGNMZXXOSMRE-ZBEGNZNMSA-N 427.462 0.513 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760191405 GTLSCGJOFFMHOQ-QGZVFWFLSA-N 435.550 0.620 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1760206236 UKXZQABLTKDASF-QZTJIDSGSA-N 434.566 0.024 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1760225734 XGFXAKULIZJOGR-IRXDYDNUSA-N 426.587 0.705 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760263130 OTFNEZFFEVZVMC-JOCHJYFZSA-N 443.573 0.368 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760270155 SJOPZXYXHZJJHO-ROUUACIJSA-N 449.577 0.715 30 10 ICEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1770082005 NZPTVUGKLAHBAS-INIZCTEOSA-N 429.481 0.614 30 10 ICEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CC(O)C1 1870643753 ZQRIVSQIIIRLKW-UHFFFAOYSA-N 427.501 0.957 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267873549 QFLGCOFGMLWSKA-KBPBESRZSA-N 448.329 0.733 30 10 ICEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073178 HGMWQRIRGBCICK-UKRRQHHQSA-N 444.297 0.903 30 10 ICEE CC#CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286041702 RXLQYDRRBNTQAW-SFHVURJKSA-N 437.518 0.425 30 10 ICEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(CCO)CC2)SC1=S 2314435668 ASBIDNUILMLFNU-UHFFFAOYSA-N 447.586 0.901 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 27559583 VNMYBDWZKNEWRU-UHFFFAOYSA-N 430.509 0.163 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CCO)[C@@H](C)C3)nnc12 428523681 GRQYUFURMLSVQU-HNNXBMFYSA-N 442.545 0.847 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1C[C@H]1CCCO1 517987990 CNSMGMNPPJPEAC-CQSZACIVSA-N 430.555 0.913 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 522385075 JOESOUMVQLHNIZ-UHFFFAOYSA-N 426.542 0.755 30 10 ICEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2cccc(C#N)n2)CC1 544882502 YJUFCUFYMJGRHE-OAHLLOKOSA-N 440.529 0.700 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@H]1CCCO1 575207552 NEBQBXUCKAAESO-QGZVFWFLSA-N 435.509 0.524 30 10 ICEE C[C@@H](O)CN1CCN(c2cc(N3CCN(C[C@@H](C)O)CC3)c([N+](=O)[O-])cc2C#N)CC1 587857232 CZJBVLXSZCXLPZ-IAGOWNOFSA-N 432.525 0.472 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 610628543 NPFUNPCXABMHRX-UHFFFAOYSA-N 428.514 0.985 30 10 ICEE N#CCc1ccc(OC[C@H](O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615456929 MIMSGLAMANOBSK-GOSISDBHSA-N 430.530 0.962 30 10 ICEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O 726585387 SESXSCYPBBFWRL-IBGZPJMESA-N 425.489 0.851 30 10 ICEE N#Cc1cccc(S(=O)(=O)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 732494947 VCCWZTFJMYHTAO-LJQANCHMSA-N 438.465 0.839 30 10 ICEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 733617944 NWXBPZSSUKHUHV-UHFFFAOYSA-N 449.577 0.994 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781661833 MCDOVHGAGOLKAA-UHFFFAOYSA-N 442.541 0.748 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H]3CCC(=O)NC3=O)nnc12 798563908 DSENVRDMHFPOMY-CYBMUJFWSA-N 427.442 0.671 30 10 ICEE Cc1cc(N2CCN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)nc(C(C)C)n1 798746446 UKKKKEGOEYQCPV-OAHLLOKOSA-N 426.481 0.825 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCc4nnnn4CC3)CC2)cc1 1142454743 AGEBSTJEDUICKB-INIZCTEOSA-N 429.506 0.467 30 10 ICEE COc1cccc2c1CC[C@@]2(CO)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1197324896 FXYWCPPQXKUMIP-QFIPXVFZSA-N 425.489 0.936 30 10 ICEE CC(C)(CCS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1211727071 CHIGAXWXHJSPFW-INIZCTEOSA-N 427.548 0.792 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1288524570 FIXGEZCKUWQFTD-YJBOKZPZSA-N 448.549 0.890 30 10 ICEE CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1305095424 QPEGKUHHAVGWSV-QFPXGYFVSA-N 448.549 0.943 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1359304592 CDTCWYUQUFOAIB-INIZCTEOSA-N 430.484 0.819 30 10 ICEE C=CCSCCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359336954 GQFXCPGWJYYJAG-UHFFFAOYSA-N 434.570 0.787 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1360714579 QOEAHBBUJAWUOC-CRAIPNDOSA-N 447.565 0.926 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1 1452715945 YWNAIFGMBLBGRK-UHFFFAOYSA-N 437.518 0.777 30 10 ICEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1470554452 FALQEXTVRGMKKR-RTBURBONSA-N 440.504 0.657 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCNS(C)(=O)=O)CC2)c1C#N 1511661225 DEKJIAWOKWFULL-UHFFFAOYSA-N 449.585 0.266 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1516846075 BAILPDBUCHLQSW-KRWDZBQOSA-N 443.533 0.567 30 10 ICEE Cn1cc([C@@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1538539887 OHKJVWFHQONXSG-COCVIAQXSA-N 433.534 0.505 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539200573 KXLFSRCMNYXGJN-QGZVFWFLSA-N 445.549 0.231 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1539461495 GPYKCFMQZXGHAV-UHFFFAOYSA-N 442.545 0.919 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552891664 QSNKSVBICDDTMF-KRWDZBQOSA-N 449.606 0.998 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)Cc2cccc(F)c2)cn1 1554333081 CRVUFQBJZZICNG-SFHVURJKSA-N 438.467 0.905 30 10 ICEE Cn1ccn2c(CCNC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)nnc2c1=O 1565362342 OSNIRSBBCWWSHA-UHFFFAOYSA-N 448.487 0.902 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCn2cncn2)c1 1587692628 HBTXBIMKYHBHMI-QGZVFWFLSA-N 433.476 0.577 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589059515 GQUSLYUOLPGEAQ-HZPDHXFCSA-N 432.550 0.423 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3CCOC[C@@]3(CO)C2)C1 1639283367 SYZIBBJGEUVTMM-IBGZPJMESA-N 435.322 0.662 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1640562577 GAHMWIBJBCYATH-CYBMUJFWSA-N 431.522 0.815 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ccnn2C)C1 1643411201 GWNNTDDVXKPUMP-HNNXBMFYSA-N 431.518 0.747 30 10 ICEE C#CCN(CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1652832232 DZVHWROTNQVNCU-LBPRGKRZSA-N 441.531 0.393 30 10 ICEE CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1654734904 LSZGWSQYRSWIHE-UHFFFAOYSA-N 445.501 0.914 30 10 ICEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1)[C@H]1CCS(=O)(=O)C1 1663790019 MNWWOXJUZXFNJB-HNNXBMFYSA-N 431.536 0.818 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1 1669784124 WCFNHFMXIGRPST-UHFFFAOYSA-N 437.453 0.096 30 10 ICEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1677400904 MYFDLZXJFLNBNT-IBGZPJMESA-N 433.578 0.520 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1 1689930151 LLGWTQCZDKMNQR-SJORKVTESA-N 441.554 0.266 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNS(C)(=O)=O 1690237392 YIGMKJFPNSPBPF-LSDHHAIUSA-N 428.559 0.383 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)CC1 1705647554 IHLQOXOPPVVBAB-AWEZNQCLSA-N 446.462 0.835 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1712176614 ZMFQGDQNVHVWTP-VKJFTORMSA-N 444.533 0.726 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2n[nH]c(C)n2)CC1 1722440817 KYSWVUYKOJMXPE-UHFFFAOYSA-N 439.524 0.149 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1730867664 FNLCASMYZIDAOU-KUDFPVQQSA-N 431.541 0.657 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1731180717 CLRBEVHCRJIFFO-XJKCOSOUSA-N 431.515 0.057 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1740655966 GXTUXPIGDKXPIA-QGZVFWFLSA-N 438.575 0.468 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747434648 LLGGDHSIFFHPHK-KRWDZBQOSA-N 446.581 0.790 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1748840484 BZWRUUADUGQEHV-UHFFFAOYSA-N 427.534 0.837 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749226386 PIWTUNNAFVASGZ-INIZCTEOSA-N 442.524 0.947 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCS(C)(=O)=O 1751212124 HHBYKMRCOOYTIP-CYBMUJFWSA-N 432.572 0.453 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1760209487 DOCLKUSNNBIFRC-HOTGVXAUSA-N 441.579 0.319 30 10 ICEE CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1761329270 HPSQUJKZZIKYCW-GJZGRUSLSA-N 444.583 0.481 30 10 ICEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1851728652 OODAFEPDTDSEAT-SFHVURJKSA-N 425.938 0.945 30 10 ICEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1853754148 LXVOGOMEVHVXAP-IBGZPJMESA-N 430.530 0.728 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268705938 HYIPCTFMZHEZNM-IMJJTQAJSA-N 449.313 0.660 30 10 ICEE CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 445698669 CEGBBUDFCSEGTH-UHFFFAOYSA-N 443.551 0.055 30 10 ICEE Cc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1S(=O)(=O)N1CCOCC1 479124443 AWGHSIZSRQJBBB-QGZVFWFLSA-N 429.520 0.319 30 10 ICEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 488019091 WIIMWYFMFSUVOU-GOSISDBHSA-N 429.564 0.704 30 10 ICEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 523462085 LQCQJWYPCVBKCH-UHFFFAOYSA-N 427.465 0.968 30 10 ICEE C=CCNc1ncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)s1 549701734 VKOPHJXYNHGAAF-OAHLLOKOSA-N 443.577 1.318 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 565661110 PQHWQQOATPLHEN-LJQANCHMSA-N 434.566 0.656 30 10 ICEE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCN/C(O)=C1\N=CC=CC1=O 731886643 ANZDJUFLISVOHG-FOCLMDBBSA-N 446.407 0.626 30 10 ICEE N#C[C@@H]1CN(C(=O)CCSCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 732652279 UDCBBKOTTCOOML-BGYRXZFFSA-N 444.605 0.897 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 804959630 HQOXSZJMTGYTLS-CQSZACIVSA-N 434.561 0.186 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 837799714 HZDWENOJJNEHIX-HNNXBMFYSA-N 429.546 0.468 30 10 ICEE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 1083816786 QXSOYPUOFNJBDA-SDSMMKDESA-N 438.476 0.162 30 10 ICEE CC(=O)N1CCc2c(sc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)c2C#N)C1 1131403131 FANSPGMFMGBGGW-UHFFFAOYSA-N 431.499 0.960 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1 1157928798 SXEQRQFFUNHYST-QGZVFWFLSA-N 429.502 0.366 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CCO1 1181281566 FPVCGSMPJUTUAV-CQSZACIVSA-N 429.520 0.328 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CC1 1221780788 WPQUSUYLWZMZDW-HXUWFJFHSA-N 433.578 0.346 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389672 OJHSKSLLGAIBMZ-ULQDDVLXSA-N 434.566 0.196 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1286466671 IHRSHKPTZNIBST-HNNXBMFYSA-N 435.506 0.289 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)CC1 1286470591 AELBHHPEPLNPNP-DLBZAZTESA-N 436.582 0.460 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286586084 VNRDXTGOZIEMIG-ZDUSSCGKSA-N 434.588 0.373 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1300676876 VWOXCDZYOJJETR-GOSISDBHSA-N 435.554 0.493 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1301595166 OWRWBPGNJHMHFO-AWEZNQCLSA-N 445.615 0.659 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1358960682 JLQMDXPCIQVWMT-IRXDYDNUSA-N 429.550 0.846 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359216092 OZJHAALKNGSKMR-HUUCEWRRSA-N 436.538 0.619 30 10 ICEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1439841102 LKDARFRXZFCGHJ-SFHVURJKSA-N 429.454 0.860 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(CC#C)CCCN2C(=O)OC(C)(C)C)CC1 1455115126 MLQAAMNJJIABEI-FQEVSTJZSA-N 438.550 0.391 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 1459885754 CRYZKUVOBJFVAX-UHFFFAOYSA-N 429.340 0.863 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCO[C@@](C)(C#N)C3)CS(=O)(=O)[C@@H]2C1 1472148970 KXPMBQMZPXBXHT-GPINWOSQSA-N 427.523 0.798 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1503276442 ARSOQDOBJRKBKY-KGLIPLIRSA-N 432.572 0.105 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507590511 CFSVJATYTSMHGU-WOJBJXKFSA-N 443.596 0.874 30 10 ICEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)N(C)C)CC1 1507877916 IEMXPKDBBCWYRU-UHFFFAOYSA-N 443.537 0.969 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1508184864 DPOOPBRXQQQNTO-KRWDZBQOSA-N 445.549 0.671 30 10 ICEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1511497915 FUNWESMKCCIPTA-AAEUAGOBSA-N 425.540 0.739 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCOCCCO)CC2)c1C#N 1511664553 XALBTFHKOSZVAI-UHFFFAOYSA-N 428.541 0.870 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)CCO1 1521122157 SWXRCPGLPGTSNF-KRWDZBQOSA-N 440.508 0.767 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1539180083 WJKYPCAPHPDQBJ-HNAYVOBHSA-N 425.555 0.622 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1539224296 DYLPYWNVDSWDQT-DLBZAZTESA-N 440.591 0.825 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCCO 1539557201 MTFGGAUEUIHQGX-QFBILLFUSA-N 441.554 0.002 30 10 ICEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCC(N)=O)CC1 1540857007 PIDCJMIKMOTZCA-UHFFFAOYSA-N 433.538 0.895 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1540867683 DQCDWAKTANMMFT-UHFFFAOYSA-N 429.500 0.597 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)c1 1558738970 XEHZZITUGVHJCZ-UHFFFAOYSA-N 435.527 0.924 30 10 ICEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1558751242 QLGGVFTWSRPVQU-FUHWJXTLSA-N 442.559 0.457 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1583812152 SDJQIBQVYZFZPJ-IBGZPJMESA-N 442.497 0.484 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)CC1 1588837589 ZDWDJMDRZPHYGY-UHFFFAOYSA-N 427.463 0.979 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1588871615 KCPRREXNMNNCBJ-HSZRJFAPSA-N 440.548 0.688 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1595784913 NFUDUDNHVNCAAE-UHFFFAOYSA-N 434.522 0.236 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CCO1 1596674002 HPDFLAQYWWFOLT-GOSISDBHSA-N 428.493 0.841 30 10 ICEE CN(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)S(=O)(=O)c1ccc(Cl)cc1 1640636384 DNAKEJQICSWSHA-UHFFFAOYSA-N 437.865 0.178 30 10 ICEE C#CCN1CCN(C(=O)CN2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1655170128 KLAUGZOKCOSFKM-QHCPKHFHSA-N 442.564 0.881 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CCS2 1676614189 LTBYPGCDMYAILU-FPGGMFCHSA-N 433.490 0.604 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689987676 AJPFUAHQKBCMIF-OAHLLOKOSA-N 426.564 0.607 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690507474 NACLQPMHWIPTMA-DOTOQJQBSA-N 445.524 0.589 30 10 ICEE O=C1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1698527046 OMDDPWGREKUSQR-VXPUYCOJSA-N 436.476 0.117 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705567549 YSCJNJHVWKLNEX-QAETUUGQSA-N 435.550 0.671 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1705907909 BPLCQMSWWDLNPE-AWEZNQCLSA-N 429.456 0.512 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722706614 VFLJZZWECQTGQS-QGZVFWFLSA-N 433.557 0.250 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)n2)CC1 1740693451 YNECGTKQWQSEEX-JOCHJYFZSA-N 442.568 0.835 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1748791517 USEXVIUSLQUEGC-HZPDHXFCSA-N 433.538 0.140 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1748892597 SIPMDVJBKNJQBG-INIZCTEOSA-N 444.561 0.996 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncn(C)n2)CC1 1749001528 VNZJULQUTDGUES-UHFFFAOYSA-N 448.491 0.068 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749020134 MMOFLPOQNCIHJB-AWEZNQCLSA-N 427.490 0.933 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760183430 QFDMZLWMYWPMON-MRXNPFEDSA-N 428.580 0.853 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(=O)(=O)CC)CCOC1 1767439625 NOEPMPBFKIASHH-QZTJIDSGSA-N 444.533 0.702 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(F)(F)CC3)C(=O)C2)cc1 1854038649 UAHIPHBMFMINQN-UHFFFAOYSA-N 426.445 0.649 30 10 ICEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#CCN)c1 2164487160 JXMBDEWNYARUBH-FQEVSTJZSA-N 430.461 0.580 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267872504 TYPDQQKROZBIPF-UHFFFAOYSA-N 448.329 0.878 30 10 ICEE CCCn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)NCCN1CCOCC1 102963190 KBVJJFSGMLDABM-LNWFBJFBSA-N 432.571 0.333 30 10 ICEE C=CCn1cc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)cn1 253575570 UTWLXZMTOWGNFM-UBKPWBPPSA-N 427.454 0.058 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 442112153 UTCWKNNZKRSCPZ-OAHLLOKOSA-N 427.548 0.758 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1=O 485477646 RRMJHYIZZJPHGF-UHFFFAOYSA-N 427.461 0.428 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 492353340 INISTFNCMBHRTO-MRXNPFEDSA-N 430.505 0.503 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 511139689 IBLKROGCSHDGNW-SJORKVTESA-N 439.607 0.813 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 729330914 HSVLBUGKIMBKNL-AWEZNQCLSA-N 444.531 0.021 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1CC(=O)N(Cc2ccccc2C#N)C1=O 747830242 VOPNLEGRVRBHOY-RWQQGDIJSA-N 440.456 0.705 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 812493732 SVIMMHUCILRMAT-MRXNPFEDSA-N 449.595 0.685 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1F 1156670687 WHSPFUCUAVJBAH-SJCJKPOMSA-N 428.463 0.199 30 10 ICEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1166996075 LBTPCHOQBHOPBM-IAQYHMDHSA-N 426.422 0.690 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 1175514678 DIGIWLOOXVJQIR-UHFFFAOYSA-N 436.925 0.763 30 10 ICEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286609743 QUOVLOPPPKFVCK-KRWDZBQOSA-N 442.495 0.748 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286818093 BOCVBQGWEWLOGX-UONOGXRCSA-N 442.567 0.594 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1299211564 DASLISOZWOYHBG-HTXNQAPBSA-N 426.481 0.382 30 10 ICEE CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1=O 1313916868 BMPAFSPJGGIFDU-CYBMUJFWSA-N 435.510 0.460 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1315072648 RMSYVNVDPPVLJF-UHFFFAOYSA-N 446.533 0.895 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1358966991 BADLRARLVDXOIM-JKSUJKDBSA-N 437.522 0.599 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1359103933 VRJMDLSDKUGNSV-DYESRHJHSA-N 446.552 0.677 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1449429826 UXBPOUULEBWVMA-ARFHVFGLSA-N 439.534 0.401 30 10 ICEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1454847312 AOEXORMKASTONY-UKPHBRMFSA-N 437.518 0.834 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1462869859 DSUMBBBWPCODEY-LBPRGKRZSA-N 429.472 0.071 30 10 ICEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507557917 OPJNLPNAGBZTOG-KRWDZBQOSA-N 437.460 0.804 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1507629436 UBTFWKDFMIXZCV-AWEZNQCLSA-N 446.924 0.797 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540868390 CRLGTVYAGVXWMQ-QGZVFWFLSA-N 440.552 0.679 30 10 ICEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1541137779 DFMZCFWDRLBODU-FZKQIMNGSA-N 426.518 0.784 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 1563846144 VVWGWPXSNCURAB-UHFFFAOYSA-N 445.501 0.827 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587798042 ACHKPAFLJWFKBL-KRWDZBQOSA-N 427.553 0.717 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588029209 FDFWROQXTKQDPQ-CABCVRRESA-N 431.584 0.561 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1595393115 INCAJRFFFAUFAB-HKUYNNGSSA-N 426.521 0.977 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1595760881 UNIXYXRUBPMOPA-ZDUSSCGKSA-N 430.556 0.229 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1595796653 AWLSYWUNUTYOPI-HNNXBMFYSA-N 441.554 0.114 30 10 ICEE CCOC(=O)CS[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(F)(F)F 1637918734 VQTYCLRDPRVMCH-LLVKDONJSA-N 449.411 0.614 30 10 ICEE C#CCN(c1nnc(CC)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992059 GPTLGGHEQRYRMF-SFHVURJKSA-N 429.546 0.826 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1689997028 ULGRRBJHFBASFO-QGZVFWFLSA-N 433.534 0.497 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCN(C)C1 1690264716 BBDNELHCZDRVMO-VQIMIIECSA-N 442.586 0.080 30 10 ICEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705942979 KMUNVCHPXQYCDE-UHFFFAOYSA-N 430.582 0.998 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705946927 VCULTFCPSJXRKO-ZIAGYGMSSA-N 434.609 0.723 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722324752 XPTQJINHGAFBPF-KRWDZBQOSA-N 448.597 0.748 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722368549 RXSKVDQSTANBDT-CABCVRRESA-N 447.521 0.180 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 1729591434 BHYNXIJMTLBLSF-OXQOHEQNSA-N 428.518 0.918 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1740609940 WCWJPWJULKOERH-UHFFFAOYSA-N 449.515 0.993 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1740655644 FDZHMYIQMPQDQA-GOSISDBHSA-N 445.549 0.164 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 1740810731 FNMGWZCKHWTTJB-CQSZACIVSA-N 448.977 0.572 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740875521 FDDMWIULAVTTNC-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1740995407 KWGUDIPPHAYOOV-VYDXJSESSA-N 441.554 0.270 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1748639332 FUPJVXZUNPDUSN-HZPDHXFCSA-N 447.565 0.626 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1749427894 WEIAYVBYJBAHEC-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1760180881 MMUZBEQGVLZUPT-HOTGVXAUSA-N 426.539 0.665 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760188498 AXPSGCSCHPDTNK-FXAWDEMLSA-N 449.602 0.624 30 10 ICEE CCOC1CC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1766109902 FPVNXBZLGVPTON-PRLABOORSA-N 426.543 0.822 30 10 ICEE Cc1ccc(C(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1866639359 UQZOFXQMLNGNBB-QGZVFWFLSA-N 430.486 0.846 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(-c4ccncc4)nn3)CC2)CC1 1889492418 FVSPFYZNAYOANE-UHFFFAOYSA-N 437.548 0.924 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 476160533 PVCQFMDCFSICMT-KRWDZBQOSA-N 443.525 0.363 30 10 ICEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CCCS(=O)(=O)NC 506909452 JZMGTMWYJQMJST-OAHLLOKOSA-N 442.519 0.690 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 511719282 LUCSIBKLUJTLEE-UHFFFAOYSA-N 447.586 0.118 30 10 ICEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 532757107 XVTHQBZDVCETFR-UHFFFAOYSA-N 428.518 0.964 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@]3(CCCOC3)C2)CC1 585756284 QYPDVNUHTPECKG-OAQYLSRUSA-N 432.546 0.894 30 10 ICEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 741247825 PMDFYPHXKSYGGQ-KRWDZBQOSA-N 443.460 0.719 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cn1 743728891 QVKIYQSXMLJATA-QGZVFWFLSA-N 442.541 0.804 30 10 ICEE C[C@H](CC(=O)OCCn1nc2ccccn2c1=O)/N=C1/NS(=O)(=O)c2ccccc21 744120490 JHNPCMIKPNLLBR-CYBMUJFWSA-N 429.458 0.557 30 10 ICEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 758182953 UYFSGCFTFHZVQK-DLBZAZTESA-N 430.571 0.405 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@@H]1CCS(=O)(=O)C1 774238366 YRDKGMMAWVTOBI-TZMCWYRMSA-N 439.515 0.472 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)c1 802581669 ALEYPPJCZBSETE-HHSBIGSDSA-N 444.460 0.930 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 820175173 UHTUSCRNFUMJMI-HNNXBMFYSA-N 433.442 0.979 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(c4ccccn4)=NO3)CC2)cc1 1136149235 BYDGSOFYRUXQKC-LJQANCHMSA-N 425.470 0.979 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1174677870 KPWFLFXZBQQBNU-SJORKVTESA-N 437.518 0.698 30 10 ICEE N#Cc1cc(C(F)(F)F)cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 1185603388 SZQNNHUATIFFCL-ZDUSSCGKSA-N 438.453 0.611 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 1194097972 UQORBESPNKWLTH-UHFFFAOYSA-N 437.927 0.131 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1286379740 BRDABGTWJVBQLK-BEFAXECRSA-N 425.555 0.594 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286395921 STEGGBAFUAGKFT-HZPDHXFCSA-N 440.591 0.997 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286469948 PJWNHDFILAXDCE-QGZVFWFLSA-N 429.569 0.866 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(OC)CCOC2)CC1 1286485214 FTMACLNCJUFKQY-OAQYLSRUSA-N 432.525 0.188 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CC2)CC1 1286646325 PHQVIOYNWSIGPS-VQIMIIECSA-N 425.555 0.928 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1287654942 YKDIKBSCISPBRD-NSHDSACASA-N 445.291 0.888 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1300466635 YVTCTTAYJFRJOG-QGZVFWFLSA-N 443.533 0.685 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1301297625 RJGYPSYJGBYRAR-MAUKXSAKSA-N 444.627 0.671 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2COCCO2)cc1 1302989028 GDJJUVOKQDISAG-SFHVURJKSA-N 426.477 0.703 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)CCO1 1309504638 CFMRICJYRYUFDJ-FZMZJTMJSA-N 436.303 0.798 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1314138776 DWFVEUJOVCVPJA-QFBILLFUSA-N 441.554 0.874 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1359010155 HWUFQXDFANCRII-QGZVFWFLSA-N 435.554 0.437 30 10 ICEE COc1ccc(CC(=O)NCc2nc(C#N)cs2)cc1S(=O)(=O)N1CCOCC1 1463084883 LPIAMCUKHPTTLL-UHFFFAOYSA-N 436.515 0.903 30 10 ICEE C#CCN1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1465280084 JGEZLOFDZRRSTN-KZNAEPCWSA-N 439.578 0.824 30 10 ICEE CN(C[C@H]1CCOC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1503559943 PZSMFNDEDFSXSP-FZFLATATSA-N 443.508 0.400 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1507644867 PTUBQZRAVNSTFD-SFHVURJKSA-N 431.504 0.714 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)C1 1521062246 BGDJAYWLVNDQBF-TXPKVOOTSA-N 440.545 0.469 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1521128498 DDNXYCNZQUWSLS-INIZCTEOSA-N 449.562 0.447 30 10 ICEE C#CCCCn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539139158 FDWKTFOTJNARPH-QGZVFWFLSA-N 425.555 0.859 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1539211897 QAERVQRZHOZWLX-FOIQADDNSA-N 428.518 0.445 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(COC)n2)CC1 1539460133 XKQSLUIQASZFIM-UHFFFAOYSA-N 429.550 0.807 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540874486 IESWAOWNTKZQHQ-LSDHHAIUSA-N 448.549 0.812 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)COCCO2)C1 1540882627 LUXSRJRCCGLITC-HDMKZQKVSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(C)=O)CC1 1540902251 FAAYXSDVKQVUAJ-QGZVFWFLSA-N 425.555 0.832 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587862600 XEJYPRDLDUPQRV-LSDHHAIUSA-N 434.522 0.066 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 1588199714 WNDBOZBZRFEZSD-UHFFFAOYSA-N 436.534 0.937 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595577467 SWOMTQNGZDWHGI-FUHWJXTLSA-N 435.488 0.746 30 10 ICEE C=CCNC(=O)N[C@@H]1CCN(C(=O)C=C(C)C)[C@@H]1C(=O)N[C@H](Cc1cccs1)C(N)=O 1614388366 DAZSYPJONCNDMP-NUJGCVRESA-N 447.561 0.682 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)CC1 1644285688 XABYOBSYTZUXTI-GVDBMIGSSA-N 438.347 0.947 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1650846163 LZQYNUHCCYCKQY-OAHLLOKOSA-N 449.920 0.176 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690109247 LPNIDMUSAWCFLW-UHFFFAOYSA-N 434.566 0.237 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1690124729 SGAZVTXZORRCHE-AWEZNQCLSA-N 435.472 0.862 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)CC1 1690136729 IULUBRKBBDFIIQ-CQSZACIVSA-N 440.570 0.279 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690309800 KUSBURMIUNPVBQ-QVKFZJNVSA-N 445.524 0.636 30 10 ICEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690465923 RFZMHVPUCQGWMQ-UHFFFAOYSA-N 436.524 0.956 30 10 ICEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690503491 CNYBDATZMUBBMG-INIZCTEOSA-N 440.504 0.693 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690673781 DMNYJBLQMXZCME-UHFFFAOYSA-N 437.483 0.822 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705534389 HEQFPZDYGCWBKN-IKGGRYGDSA-N 441.554 0.265 30 10 ICEE C#CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705665480 VIAHZSVGDFMCJB-GOSISDBHSA-N 443.595 0.378 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705830926 YERGIJSQLPHDEJ-HNAYVOBHSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1705902375 CZDKWSMGZUCBKL-QGZVFWFLSA-N 447.565 0.596 30 10 ICEE CCN(CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1710066746 KPWGLYKYXLSWSO-DLBZAZTESA-N 440.570 0.267 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1722275695 FXWNWVPJQISMHT-HRCADAONSA-N 434.570 0.749 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722360555 AOMLSZSUROAFSR-SFHVURJKSA-N 440.529 0.970 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCO[C@H]2CCOC2)CC1 1722432738 CJDWQLIARKINGQ-SIKLNZKXSA-N 433.553 0.881 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](F)COC)CC1 1722443559 LIHNDBUCXPGWLK-DYESRHJHSA-N 437.516 0.881 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(=O)NC 1722588301 PMYIJQKCULRIAK-OAHLLOKOSA-N 442.586 0.786 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722694500 XDRKYANOERKZQB-INIZCTEOSA-N 441.536 0.938 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1723954149 HWBICJNXBRHDTC-RHSMWYFYSA-N 433.538 0.731 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1726638280 MAAIYVHWUKUXGB-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE CCOCc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1729069246 FCJHXTUQELKRPL-VHEBQXMUSA-N 429.481 0.152 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740850475 HKCGCVZXACVTND-HUUCEWRRSA-N 425.555 0.734 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740964079 GKXBUQVRSFQUAL-SJLPKXTDSA-N 443.504 0.828 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749680963 UYQSVGBEUYDFQO-UHFFFAOYSA-N 433.557 0.251 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1749740579 WKXFLBAJGFEKTF-AWEZNQCLSA-N 433.600 0.647 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccnc2C)CC1 1760268044 AXGBQKFYNVCNJD-SFHVURJKSA-N 436.520 0.536 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760284505 NGIYPGCUJNBIRN-OAHLLOKOSA-N 425.580 0.780 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1)C1CC1 1760477383 YPLVHWKERHWQAD-LPHOPBHVSA-N 425.555 0.927 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1760528959 RTYIODLCCFWBST-AVRDEDQJSA-N 448.568 0.533 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1=O 1769056305 QZEVTBIUSDLLGC-OXQOHEQNSA-N 428.518 0.918 30 10 ICEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2255692362 BEKGXVMWMOSCLR-WDEREUQCSA-N 426.204 0.763 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)OC(C)(C)C)(C(N)=O)C1 2267571423 INXABLGFFBCVLJ-UHFFFAOYSA-N 448.329 0.529 30 10 ICEE Cc1nc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268639769 RPLNHRQMEADEBB-UHFFFAOYSA-N 449.317 0.664 30 10 ICEE Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471576723 DXONYTFQFJZPIE-NRFANRHFSA-N 444.513 0.313 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 475252652 DMQKLKXREMEUIS-NRFANRHFSA-N 443.479 0.962 30 10 ICEE CC(C)(C)n1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 499486634 VQDJVQCRIHOKJY-UHFFFAOYSA-N 432.506 0.205 30 10 ICEE CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 522643735 MNKMNMUTBCCOMS-INIZCTEOSA-N 440.547 0.109 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 579870155 JBENMQVLPOXRGV-HNNXBMFYSA-N 428.536 0.422 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(=O)NC2CC2)C1=O 730137342 FMJQBPOZXRVYTD-KRWDZBQOSA-N 442.545 0.836 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1 760981435 FHJPDXFXDOITLM-LSDHHAIUSA-N 426.495 0.996 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 793103316 NSBKYLRYLNUFNY-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 804690509 YIMUMVAUPYNVDH-CQSZACIVSA-N 442.563 0.436 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 918756198 LBIBDCKEHDPDJH-OAHLLOKOSA-N 426.516 0.398 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1 1154355457 MQCBTFXROQCVTE-CEXWTWQISA-N 447.557 0.870 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC)c2ccc(Br)s2)CC1 1175515292 VWZMJHKKCHXBGY-CYBMUJFWSA-N 436.353 0.810 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)c1 1197496496 KKWONERKNUQJMI-UHFFFAOYSA-N 441.488 0.737 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286389671 OJHSKSLLGAIBMZ-IXDOHACOSA-N 434.566 0.196 30 10 ICEE CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297354795 LPFHEDRLWHAQNS-NYAYQYMKSA-N 443.508 0.303 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1300695514 CQVPGJWALUUYGS-UHFFFAOYSA-N 432.554 0.162 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@H]1CCS(=O)(=O)C1 1318285477 RESOQQIPERRGAM-INIZCTEOSA-N 425.532 0.131 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1358930540 XHBVTUPNCGVFAU-HOTGVXAUSA-N 438.554 0.116 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358954916 AOZBPUUVUGABRZ-GOSISDBHSA-N 442.545 0.779 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1358969476 PSYAJLVVUAVQGG-OAHLLOKOSA-N 436.538 0.440 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCC[C@@H]1NC(=O)NC1=O 1359012967 FRZHIMHVAWYKRN-ZDUSSCGKSA-N 429.506 0.717 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC(=O)N2)CC1 1359041317 SUOXSVOUKHOHJK-DOTOQJQBSA-N 432.525 0.247 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(O)CC1 1497085540 GBVTZZVVKTUCNZ-GOSISDBHSA-N 433.557 0.772 30 10 ICEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1503795260 SKGKPOSIHUOKCI-MRXNPFEDSA-N 425.493 0.970 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1508085853 JZGNKXXHDRGPEZ-UHFFFAOYSA-N 426.521 0.775 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1517624859 DJGGYYSORQVFBV-IBGZPJMESA-N 432.506 0.362 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1539470454 QIYXTZGZPFBZRY-DEOSSOPVSA-N 447.543 0.849 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1546579226 HUBARWQIEZZHLZ-IENXAOORSA-N 436.476 0.581 30 10 ICEE Cc1cc(N2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)nc(C(C)C)n1 1560168703 RCOMDXXVTMQZNU-UWJYYQICSA-N 446.577 0.427 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1587562860 ULMUOVASQCRINU-YESZJQIVSA-N 426.587 0.703 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1 1588280457 LGJNDMIJKZTPFV-NRFANRHFSA-N 446.577 0.722 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588924047 URXFAHFVIMKINN-YCRPNKLZSA-N 427.509 0.184 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1595467099 QEHVVJRHIHFEHC-UHFFFAOYSA-N 432.529 0.103 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1595607923 LSTPVGXYJNOGAN-WMZOPIPTSA-N 442.524 0.421 30 10 ICEE N#C[C@]12CN(C(=O)c3cccc(I)c3N)C[C@H]1CS(=O)(=O)C2 1598567196 GTKNFIWALCRHKP-LKFCYVNXSA-N 431.255 0.884 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@H]1O 1618888607 OLPOXWVWPVBFFW-NVXWUHKLSA-N 427.461 0.614 30 10 ICEE C#CC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C(=O)OC 1626187812 JDYLNDAMVFMJTB-LSDHHAIUSA-N 428.894 0.554 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 1632961309 VGTPKZIKAPWTKP-UHFFFAOYSA-N 437.522 0.332 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1679692616 DNASTQYFRJDURX-KRWDZBQOSA-N 427.958 0.738 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)[C@H]1CCCO1 1686185088 XPSCPVHWKOOQRU-LVQVYYBASA-N 427.523 0.595 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1689853573 VZQNXTSHTXIHJG-CVEARBPZSA-N 425.555 0.764 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1689990760 RLOJXFNZQKQNQW-HOTGVXAUSA-N 434.522 0.733 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690170168 AREMZTTZRRPIKW-WBVHZDCISA-N 445.593 0.385 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690256430 LWQNOGHMUWMSLJ-HUUCEWRRSA-N 448.615 0.572 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1690668876 MPCUEYHTOLCTSU-AWEZNQCLSA-N 433.538 0.766 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCCC2)C1 1698312993 CYVNYBXPRQUYOS-DLBZAZTESA-N 436.538 0.840 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705532605 CLMJVYNKXSBKON-UYAOXDASSA-N 435.532 0.991 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705758133 KPKFKHIPEMEVNH-UHFFFAOYSA-N 437.932 0.326 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705893576 AOCZNFQNXNAIBU-ROUUACIJSA-N 445.568 0.363 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705906465 GMQOMQUOUHMFST-SJLPKXTDSA-N 443.504 0.828 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705914103 GNPOOLFTLZFGSJ-QFPXGYFVSA-N 443.508 0.724 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCOC1 1711044613 DGFUVPUCXWIQHA-KRWDZBQOSA-N 426.477 0.813 30 10 ICEE C#CCSCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1722463995 RRULOABWDIKVCB-FQEVSTJZSA-N 437.566 0.592 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1729308285 PGZRTUNXLHSNLD-AEFFLSMTSA-N 437.504 0.922 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1740653017 WJQYBEJSQGNBHJ-DEOSSOPVSA-N 445.527 0.722 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740782597 WQUBKGKQKWLMHR-DJJJIMSYSA-N 436.538 0.571 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1748667362 SERSVEYKTUPSLO-UONOGXRCSA-N 426.568 0.066 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748820439 BSTSWPCUUAGANL-CQSZACIVSA-N 449.562 0.235 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)NC)C1 1749709895 TWLRXPPHTSJHDC-CYBMUJFWSA-N 438.510 0.336 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1760282149 WVRYVCNYUMGSCC-AWEZNQCLSA-N 434.609 0.418 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CCC)CC3)CC2=O)CC1=O 1857049806 XNVXBIFXVNXWJV-SJORKVTESA-N 425.551 0.848 30 10 ICEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)ccc1O 1874432598 NWHBQERPHHYXBG-BLLMUTORSA-N 427.284 0.842 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)n1 2282494753 BSADNEDXYHWPQG-CYBMUJFWSA-N 427.332 0.683 30 10 ICEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cn1 59914065 CJONVUQQKCCUQU-LSHDLFTRSA-N 443.537 0.998 30 10 ICEE CC(C)CN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCS(=O)(=O)C1 110093597 CEPJJJQHFNMWAP-LAUBAEHRSA-N 446.529 0.997 30 10 ICEE C=CCc1ccc(OC[C@H](O)CN2CCN(CC(=O)N3CCOCC3)CC2)c(OC)c1 497618859 QEVWHMKQDWXKOM-HXUWFJFHSA-N 433.549 0.640 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O 556782209 PZMTZLQPYURTHV-UHFFFAOYSA-N 441.557 0.156 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 670232868 ZWAORJRXPWPAIW-HOTGVXAUSA-N 426.543 0.292 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749869285 LNHWYYQIIDISKV-HNNXBMFYSA-N 437.525 0.622 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CCOC2)C1=O 751688775 KJRNMXKJECPEFG-HZPDHXFCSA-N 433.534 0.574 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 763435904 DPYUNJGSGLMZBR-UHFFFAOYSA-N 428.558 0.699 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 818513860 WESFGBSYSJGNAU-NRFANRHFSA-N 431.468 0.039 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)cc2C1=O 1275943173 RUGHJPOAZQXADY-UHFFFAOYSA-N 426.517 0.995 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286380317 HAXWVJZSGPOVJP-KRWDZBQOSA-N 447.565 0.409 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1286463888 VXHQRXGAQCUDST-UHFFFAOYSA-N 443.504 0.907 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1286792563 BSDVFWRYQRFINU-QGZVFWFLSA-N 442.520 0.689 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1286823842 QQQFHPKQPUORAI-KGLIPLIRSA-N 430.600 0.865 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286955467 YWGWMFUCFOSQOO-HNNXBMFYSA-N 425.493 0.922 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCOCC2)c1)c1cc[nH]n1 1291678867 NSRHZWMNOBKCSO-UHFFFAOYSA-N 429.477 0.842 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1300464388 CJWTVJQDDQPGKT-HZPDHXFCSA-N 433.538 0.140 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2cnn(C)n2)CC1 1300726477 OKLDIZPJMBGMJB-KRWDZBQOSA-N 426.525 0.509 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1300889085 AZILKLMLAJXTPE-GJYPPUQNSA-N 432.525 0.333 30 10 ICEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301215216 TZXVZCKNCRIUDS-UHFFFAOYSA-N 441.536 0.757 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301481756 OZTZKNIIZIBFDE-IFXJQAMLSA-N 442.586 0.832 30 10 ICEE CCOc1ccccc1C(=O)NCCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589223 FECOEMHABZWXRE-UHFFFAOYSA-N 425.445 0.813 30 10 ICEE CCS(=O)(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1313046233 XHWXCAULNUXGQT-UHFFFAOYSA-N 440.547 0.541 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)CC1 1359032183 FSTUIXOVSOEGNF-UHFFFAOYSA-N 429.912 0.608 30 10 ICEE Cn1[nH]c([C@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc1=N 1460005454 VVCSUHQSGMTCGR-MSOLQXFVSA-N 426.500 0.913 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 1466463502 VFMYKNQGDCDCLM-UHFFFAOYSA-N 443.522 0.458 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c1 1469259203 HOMLNZCOHYMBQB-UHFFFAOYSA-N 434.518 0.245 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1508037430 BWYDECMXNYQUJE-GFCCVEGCSA-N 439.460 0.498 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1527787369 KJICQKIIJKCCIC-UHFFFAOYSA-N 438.550 0.933 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)CC1 1539477650 UKWWVZAJYOICIX-IBGZPJMESA-N 441.580 0.927 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3coc4c3C(=O)NCCC4)CC2)cc1 1543122380 SVXWRLQOPDIOQR-UHFFFAOYSA-N 428.470 0.974 30 10 ICEE CS(=O)(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1555803892 DLWYPKSIJDVYPW-HNNXBMFYSA-N 429.568 0.745 30 10 ICEE C#CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)OC 1561641604 TVGVGOKBOKEJGN-GFCCVEGCSA-N 428.410 0.370 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1561913085 KNEZKSYVZNKNGE-ZDUSSCGKSA-N 439.481 0.903 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1587847273 HLGKSJHPWZQLOY-UHFFFAOYSA-N 449.515 0.900 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1588233049 ANMHFTUKGOXKRM-SFHVURJKSA-N 445.549 0.339 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2COCCO2)CC1 1588968036 FQHXBUZVAQMLSD-OTWHNJEPSA-N 447.536 0.383 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCCC1 1598081270 JTMJYIQZKQQEOB-UHFFFAOYSA-N 428.536 0.047 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccccc3S(=O)(=O)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1617480611 IIPBVJKFCHHAGP-KXBFYZLASA-N 437.543 0.872 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1618761373 AQMNOPYTZACULU-MRXNPFEDSA-N 445.549 0.671 30 10 ICEE C#CCN(CC(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)OC)C(=O)OC(C)(C)C 1629378664 CZCHYFOTDCCEJD-KBPBESRZSA-N 427.523 0.826 30 10 ICEE C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(=O)OC 1638827408 UYLSBIVTKFQZKS-QAPCUYQASA-N 449.529 0.751 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)c1 1642009756 DCAHOUJLGYFQCL-QZTJIDSGSA-N 431.470 0.388 30 10 ICEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1647796997 OMSOPUFEBXOMMN-IRXDYDNUSA-N 426.477 0.978 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689985841 CNCAYXTZSNUWIN-MRXNPFEDSA-N 446.533 0.149 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689995999 BTORMFFJDQAEGN-RCCFBDPRSA-N 449.577 0.842 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)CC1 1690111457 CADAEJNQNBAQSA-INIZCTEOSA-N 432.550 0.184 30 10 ICEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690234331 AMVHKLFJTKBRQR-NWDGAFQWSA-N 425.287 0.185 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690724741 VSCUWSDEZGVEIK-INIZCTEOSA-N 449.533 0.938 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705653010 WFQWUWADIXFIJM-INIZCTEOSA-N 435.575 0.507 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1705661896 LAPGVIVCWXHMQI-CQSZACIVSA-N 426.568 0.008 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722359172 QXWDOXXURIKZSZ-CYBMUJFWSA-N 437.551 0.251 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722362098 SBNCDYWOEJTDJM-YJBOKZPZSA-N 436.563 0.173 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722369028 XVQASANKCFRQSH-OAHLLOKOSA-N 428.580 0.681 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CC(F)(F)F)CC1 1740688417 FUFVRDRPILEXOH-UHFFFAOYSA-N 427.475 0.763 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740963567 OOIGFRPHHYUUMM-LAUBAEHRSA-N 429.525 0.826 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1740988673 MLIFTOPSUNVAHZ-LJQANCHMSA-N 442.545 0.938 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748825046 VTXLCFVADBTNAV-DLBZAZTESA-N 437.566 0.919 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncn(C)n2)CC1 1749342921 SLTWDZQZMDBBQX-HNNXBMFYSA-N 436.542 0.190 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)CCO1 1750387701 ZBZIAKISFUTBCQ-KRWDZBQOSA-N 441.448 0.831 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760155085 PEZCJPFHLCOPFW-XMTFNYHQSA-N 437.566 0.886 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760280181 DGAOLWYEMMPEQU-CVEARBPZSA-N 435.579 0.980 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760356369 LXBIRUWKONBBPJ-CVEARBPZSA-N 440.570 0.588 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)[C@H]1CCOC1 1766994943 QZQHWVXWVBPQKT-INIZCTEOSA-N 434.522 0.893 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1770728891 VCSBZZYUXSEDNF-VQIMIIECSA-N 440.545 0.735 30 10 ICEE Cc1cn2c(=O)c(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)cnc2s1 1889413194 GJMXWZFNMNCJML-UHFFFAOYSA-N 443.573 0.936 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 2267113049 OVNYMCKXSKXBHN-NSHDSACASA-N 445.251 0.645 30 10 ICEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467046628 PUAOWVPZOKZQEP-LJQANCHMSA-N 426.477 0.450 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C#N)C3CC3)CC2)cc1 481777430 JRRAWULSNQSLAH-GOSISDBHSA-N 434.518 0.727 30 10 ICEE O=C([C@H]1CCCN(CC#CCN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1)N1CCOCC1 530360274 SONCZTLECGUWBP-SZPZYZBQSA-N 446.592 0.131 30 10 ICEE COC(=O)CN(CC#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 573295776 KMMODLDWYLGDFW-YEYGNOCGSA-N 433.464 0.991 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 577307089 JRQPOXRXODBLOZ-CABCVRRESA-N 447.583 0.201 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 610898330 KNOXAKRDMJHJHQ-UHFFFAOYSA-N 448.570 0.020 30 10 ICEE CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2O1 732706352 NDOHPNXONXCJLJ-LPHOPBHVSA-N 425.489 0.506 30 10 ICEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706837 QQVHKQAVFDITDI-MRXNPFEDSA-N 433.534 0.901 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)[C@@H]1CCS(=O)(=O)C1 774043163 KLYYOBKAWLRFGK-CQSZACIVSA-N 443.547 0.990 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781659410 BGXFPXJLTDETCH-UHFFFAOYSA-N 440.525 0.219 30 10 ICEE C=CC[C@@]1(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 813947507 MHSIUFWOASCBNP-IBGZPJMESA-N 444.554 0.857 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1251732198 WZYQJKGSYFPBIT-SUNYJGFJSA-N 428.511 0.202 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286391944 KBARJXXUIBSNHE-MRXNPFEDSA-N 437.566 0.578 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1291193674 HAZDCBDKPQHJNJ-OAHLLOKOSA-N 437.504 0.922 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1299138634 YKJPFKPEIBOBHT-IAGOWNOFSA-N 437.504 0.683 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1300466626 YSFAKIYDPFGOCN-LBPRGKRZSA-N 429.453 0.320 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300496069 NMRAEWRWWMWDHA-HUUCEWRRSA-N 449.499 0.903 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)NC(C)C)CC1 1300729059 MBDDEENFANTGKF-UHFFFAOYSA-N 436.582 0.524 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1301499742 FCYYUXDOEWSYDN-JYJNAYRXSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301510070 SHOMVZMBCMRQLC-HNNXBMFYSA-N 447.540 0.806 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301945180 VJLFMNAASPRNKC-HTXNQAPBSA-N 431.497 0.092 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CCN1C1CC1 1316539965 IRUMSUPOOFZKBL-DZGCQCFKSA-N 444.508 0.638 30 10 ICEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1323731474 WFZSWKBNXPJAHF-IBGZPJMESA-N 435.546 0.999 30 10 ICEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 1357399035 LDRJEDHERVXTDG-UHFFFAOYSA-N 436.453 0.472 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1359040484 WUAKQEJFOQFBBZ-INIZCTEOSA-N 445.568 0.687 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359300195 WERVJNCHAWSVPD-DLBZAZTESA-N 442.524 0.250 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCOC(F)F)c1 1505317461 MMBDZRBZLRBDCM-OAHLLOKOSA-N 445.430 0.593 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1507587935 BPMQSBFVUCQQFU-MRXNPFEDSA-N 438.554 0.083 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1508409148 ANJPPAFYZXTFAE-NXEZZACHSA-N 425.437 0.163 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCC1 1511888648 FCBFKJBUWTWXFS-AWEZNQCLSA-N 430.538 0.931 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540868800 SBENWRIEMLKPFI-UHFFFAOYSA-N 429.529 0.565 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540904352 MKTNSXUOCLXGET-RDJZCZTQSA-N 430.534 0.580 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1542482763 CCIPPHQJOAUYKY-IRXDYDNUSA-N 439.476 0.883 30 10 ICEE CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1547708255 LUDRYISOBZVQBJ-UHHPSXQGSA-N 444.540 0.473 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1554489230 HICPOWAYBUAYOR-MRXNPFEDSA-N 425.493 0.827 30 10 ICEE N#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556608005 XESUQXOLERVRMC-GHMZBOCLSA-N 432.296 0.521 30 10 ICEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1595453489 XHMJSBQTAFMJCL-NRFANRHFSA-N 427.509 0.937 30 10 ICEE COCC#CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1623920487 WBWWFPSQFBEOER-UHFFFAOYSA-N 443.909 0.408 30 10 ICEE C=CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1653696115 QYVZRYWNPFKRFR-INIZCTEOSA-N 430.548 0.823 30 10 ICEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1=O 1656571849 FZZRGQGTLYSPPK-UHFFFAOYSA-N 449.511 0.995 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 1669718268 KQVYTNSOKWWDLL-UYAOXDASSA-N 433.578 0.692 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1683347183 UULQUXVMKHRNGW-HNNXBMFYSA-N 444.517 0.667 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689988151 KDQDYNVYJLOZSD-OXFYSEKESA-N 432.550 0.856 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1690047786 YTNJKHIGGQQFAL-QGZVFWFLSA-N 437.566 0.747 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1690074088 QZLKLNJENHJJQV-WUZYXKQASA-N 430.553 0.959 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690154599 UAEYBJPENQNYLU-UHFFFAOYSA-N 442.611 0.643 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722359319 RQBNHLXHUBABMP-MRXNPFEDSA-N 435.550 0.446 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1724017808 FVAQYDHHEFGQTE-FQEVSTJZSA-N 443.533 0.554 30 10 ICEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1730476109 DTCZYKDWQQBMSP-WNHJNPCNSA-N 434.541 0.840 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)CC1 1740698570 IMDAMBXFANAIBH-OAQYLSRUSA-N 444.561 0.830 30 10 ICEE C=C(C)COCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1740799883 ZLALHNCPXLTEDC-UHFFFAOYSA-N 446.556 0.635 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740963195 CQNSKYQTFUCOTH-MRXNPFEDSA-N 436.476 0.245 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1747543640 CHZGFBPJLPXKMG-KRWDZBQOSA-N 446.533 0.830 30 10 ICEE C#CC1(N(C)C)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2370091281 SHXGLCCRWHUQQM-QGZVFWFLSA-N 437.518 0.725 30 10 ICEE C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 11399456 YVAHYUFGLBNENR-UHFFFAOYSA-N 425.463 0.185 30 10 ICEE COCc1nc([C@@H]2COCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 488260739 CMDDZVIAFQHYQV-IRXDYDNUSA-N 440.460 0.972 30 10 ICEE C#CCN(CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 731213802 SSZJPYAXKHLMNH-IBGZPJMESA-N 431.558 0.838 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccnc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CCN1C1CC1 746247852 PIPGHOSEDPCVOY-UXHICEINSA-N 433.516 0.706 30 10 ICEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782816767 WMYHEUPCRYCPQK-HNNXBMFYSA-N 430.538 0.718 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286388775 BPNFZDHPRAPPCR-JKSUJKDBSA-N 431.522 0.061 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286476852 HAWDWOOGEGWDDY-UHFFFAOYSA-N 429.550 0.848 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1286823683 PTXASPNAYXAQIF-DZGCQCFKSA-N 430.600 0.912 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1300719490 CXMSTNCZTGIESA-UHFFFAOYSA-N 447.503 0.187 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301491200 FXRHKYSHVJKSJZ-CQSZACIVSA-N 436.513 0.904 30 10 ICEE CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1302525762 FSKXDCMSROAQKT-KBPBESRZSA-N 444.583 0.481 30 10 ICEE CCOCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314362651 AMFVLIYIVQIMJG-MJWGMMHASA-N 431.497 0.446 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1359084224 AUZUGDJJLLNNOE-QWHCGFSZSA-N 435.344 0.940 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359291041 CCQNADSZOGFTQI-UHFFFAOYSA-N 433.557 0.267 30 10 ICEE C=C(CCN(C)C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1463861156 DZAISIYAKKDHNM-UHFFFAOYSA-N 437.566 0.259 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1507836859 BROJWLGBEIMZPU-JKSUJKDBSA-N 438.558 0.914 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508071330 IGYQCJBEFFLAFZ-CQSZACIVSA-N 426.543 0.122 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098678 QJEKZOZSKUWGIS-HRAATJIYSA-N 434.541 0.713 30 10 ICEE C[C@]1(C#N)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCO1 1538538511 ZFTJTAMGALVQEQ-FQEVSTJZSA-N 446.485 0.716 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1540861829 IDSXYELDUBOWHE-INIZCTEOSA-N 443.895 0.892 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)cc2C1=O 1567567888 QZVDOSXDGRSHKN-UHFFFAOYSA-N 429.458 0.338 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(=O)(=O)CC 1587599450 NMHFAVITOQDSOZ-OAHLLOKOSA-N 443.537 0.708 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589047837 LBKBEAQYQMZMLN-UHFFFAOYSA-N 440.533 0.029 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595537609 UDDNBHFJQDBMMU-QGZVFWFLSA-N 427.484 0.997 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cc[nH]n2)C1 1595723537 XTFZBIOYOIMIGL-GJZGRUSLSA-N 449.537 0.115 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595785296 VUDLQMUGLBBVGK-INIZCTEOSA-N 439.563 0.954 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1628036701 WJCHNISFBDIVOO-CABCVRRESA-N 431.555 0.998 30 10 ICEE COC(=O)[C@@H](NCCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1641575994 PEHMTSIYJHCMCI-KSSFIOAISA-N 438.550 0.797 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C1 1685177352 RGDONAUPYYBLSH-SFHVURJKSA-N 425.599 0.921 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988777 WDYDJGCIWXFNNO-HZPDHXFCSA-N 445.549 0.667 30 10 ICEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690496241 NNFLALHJYUOZKD-JOCHJYFZSA-N 446.552 0.824 30 10 ICEE CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696585867 HMBAXYYGZSHODS-UHFFFAOYSA-N 438.492 0.414 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1705572272 WFCICBDRVNWTCC-LSDHHAIUSA-N 430.552 0.191 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705583130 RBDMTPQIWUFCLT-MRXNPFEDSA-N 438.575 0.610 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705901396 KGXIAPIROJOKKN-ZDUSSCGKSA-N 429.481 0.365 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705905578 ZWYXWQLLPFAEAN-HXUWFJFHSA-N 430.534 0.581 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705923019 XLLAAJJJMAITRL-CVEARBPZSA-N 433.538 0.940 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCCc1ccccc1 1722280753 WPIPLEIIRIGNSN-HZPDHXFCSA-N 432.550 0.705 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC(C)C)CC1 1722582293 NNEQFEYKPXROJJ-MRXNPFEDSA-N 440.570 0.538 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCN(C)C 1723940739 CVJAOPQNODHFSQ-CRAIPNDOSA-N 427.575 0.597 30 10 ICEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740883290 PGSGJFSWQHOQJD-HNNXBMFYSA-N 428.468 0.824 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1748745608 UMKKCORKHRHOAU-UHFFFAOYSA-N 426.502 0.840 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1748858673 RMSPDUXHZYODAK-HNNXBMFYSA-N 425.580 0.825 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H]2COCCO2)CC1 1749010591 SWZRJAASPZCLKR-RBUKOAKNSA-N 431.537 0.943 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCNS(C)(=O)=O)CC1 1749019571 ZPFONAMBXKRGPR-MRXNPFEDSA-N 438.554 0.035 30 10 ICEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C(=O)NC)C1 1760301832 LPNHGMLZYQQXKF-OLZOCXBDSA-N 432.319 0.862 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957552 ANWMCRSCPHQHOA-XHSDSOJGSA-N 438.330 0.859 30 10 ICEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OCC(N)=O)cc2)CC1 238875727 NZNNTALFRZFXHU-CTYIDZIISA-N 431.474 0.881 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4nccn4C(F)F)CC3)CC2)o1 471048259 SBVJINOOOGVFNE-UHFFFAOYSA-N 448.478 0.913 30 10 ICEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)c2)CC1 505035566 LKKUCEIJNLMLBS-UHFFFAOYSA-N 433.534 0.713 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 539499616 XVMYTVHMSSANKN-UHFFFAOYSA-N 445.339 0.157 30 10 ICEE CCOC(=O)N1CCN(C(=O)C(/C=C2/C(=O)ONN2C)=NC(=O)c2ccccc2)CC1 585673885 WWBYLCZRBPRQNW-BLOQEHEGSA-N 429.433 0.361 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706765 OFIDGTWDVXFZRM-KRWDZBQOSA-N 431.518 0.630 30 10 ICEE N#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757380869 BVBSRKCZIOIFFE-LBPRGKRZSA-N 444.307 0.835 30 10 ICEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c(C)o1 767955251 IQASPTNZSZVZJF-UHFFFAOYSA-N 442.541 0.234 30 10 ICEE C#CCN(C(=O)NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 774195425 IUGBOORSUJLSPR-LJQANCHMSA-N 435.546 0.730 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccc(F)cc1 812274326 BIRXATZGRXADBB-UHFFFAOYSA-N 433.415 0.958 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 918615813 BLTNZSGXXTURHO-QWKUUPJTSA-N 445.501 0.549 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)CC2)cc1 1176533104 DWZPPTYSYAYILX-RBUKOAKNSA-N 432.546 0.626 30 10 ICEE C=CCC1(O)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1177699311 UXYCWGWOPWOYFS-ZDUSSCGKSA-N 449.451 0.767 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286341487 GCJYNIMPFPPKEH-HZPDHXFCSA-N 438.554 0.129 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2CCOCC2)CC1 1286493449 VOUXGTWHCRSHMZ-UHFFFAOYSA-N 432.569 0.891 30 10 ICEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291167716 UAONEQNYBGQWHS-NEIYXTIMSA-N 448.549 0.941 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1300806198 RIZZUPKLDFOKNJ-CRAIPNDOSA-N 441.579 0.208 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301474943 IXPWETNUACIRGA-UHFFFAOYSA-N 442.524 0.435 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1301589831 YCXWNUQQLMOEOH-OAHLLOKOSA-N 441.554 0.244 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1301969697 ZUZGYODLWPOYHV-IAGOWNOFSA-N 437.570 0.469 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1358882094 STJKTNIKAZRIFJ-VLIAUNLRSA-N 432.502 0.724 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359031138 RFYYCXUENWGXJU-IPJJNNNSSA-N 433.553 0.737 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1456211028 IWASMRVFIBKCGK-KODHJQJWSA-N 425.507 0.409 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1507632250 KEQBKIQAEMMMKA-CVEARBPZSA-N 433.538 0.816 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)Cl)CC1 1507736009 JUJKDEXUQCYMPX-ZDUSSCGKSA-N 428.946 0.607 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507957998 YPVPHMXMZNQHCR-GOSISDBHSA-N 447.584 0.752 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508079621 APAHHJNCFVGQDP-UHFFFAOYSA-N 426.525 0.289 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1508087738 PQKUQPLHSNOEPS-HNNXBMFYSA-N 436.476 0.817 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C[C@@H]12 1539465244 XADLUFXPLCMFJD-BBWFWOEESA-N 426.516 0.648 30 10 ICEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539752355 KSYXPRQPNNIPHY-QGZVFWFLSA-N 425.493 0.004 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1554472698 QYBIYRYFKLNARQ-CZIZESTLSA-N 438.492 0.747 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1587640166 PLOSNQJYCAAHHY-PBHICJAKSA-N 433.538 0.410 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593807243 IUBMBLHIARCTRM-VXGBXAGGSA-N 445.933 0.114 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)CCS(C)(=O)=O 1595517241 UOHRTOCERRIRJG-UHFFFAOYSA-N 435.506 0.847 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN([C@@H]4CCOC4=O)CC3)C2=O)cc1 1631262519 VXHGSHMUNWITNS-QZTJIDSGSA-N 439.472 0.659 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)c(=O)nc1O 1633550830 ZWOHBGQKBAMEOG-VGOFRKELSA-N 437.456 0.986 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)s1 1636336446 NOGHTAVMCDBYLU-KZULUSFZSA-N 440.547 0.734 30 10 ICEE Cc1ccccc1CN1CCC(NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)CC1 1652166969 MZNJSDVEBZEFGL-UHFFFAOYSA-N 439.516 0.272 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1675951852 TVSMBTJPWNQMAL-UHFFFAOYSA-N 429.543 0.181 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689986941 ZVQQXGIYIIABCZ-OAHLLOKOSA-N 449.558 0.544 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1OC 1690076864 CLNQPQOGINNATP-ULQDDVLXSA-N 441.554 0.122 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H]1C 1698087217 CTDXPJRYKHTCPE-MRXNPFEDSA-N 447.565 0.523 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1698254445 KRTSBWRKJKLQMC-QXSJWSMHSA-N 425.511 0.166 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559117 RPBIFKINLXOTFM-HOTGVXAUSA-N 425.555 0.714 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722367665 WVNFDTLNVCZWLW-YLJYHZDGSA-N 447.586 0.759 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722687776 IHMMJPALONRSJG-UHFFFAOYSA-N 448.553 0.139 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722696377 LCCAATUBIDKXFJ-UHFFFAOYSA-N 447.565 0.893 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)NCC2CC2)c1 1731178574 BCFQHLWYSWMPHF-UHFFFAOYSA-N 437.504 0.814 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nncn2CC)CC1 1740825019 HSDRFDLVLUUOTK-OAHLLOKOSA-N 436.542 0.427 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1748789779 CJDNXCITWMANFS-GOSISDBHSA-N 432.550 0.795 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)CC1 1749015600 YLKFVZRLAQDKRE-KRWDZBQOSA-N 449.577 0.451 30 10 ICEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749262926 ZQDVAKREYPTHNB-UHFFFAOYSA-N 432.916 0.702 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749671195 ZWBILMICFFCSMB-INIZCTEOSA-N 444.565 0.619 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1749953854 LXGRDAXJHNYTCN-RHSMWYFYSA-N 445.517 0.384 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1760116134 FMXDDTINJSFDQY-CVEARBPZSA-N 441.554 0.001 30 10 ICEE CNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1767823873 AYBBJFJGKATSPO-NXVVXOECSA-N 430.513 0.563 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1769550893 DOQHAJKLAGJJJA-DENIHFKCSA-N 442.520 0.946 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1772566417 AQOTVCYOKWMGIH-IBGZPJMESA-N 448.531 0.725 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1OC(C)C 1865722281 OAKNGLCBSSMOND-OAHLLOKOSA-N 426.473 0.868 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2267574282 UIKDEYZASSKTIW-UHFFFAOYSA-N 448.285 0.580 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2267580061 BQRPZJUWICZRAS-QFIPXVFZSA-N 441.341 0.481 30 10 ICEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269075450 WKQNRRBWZVGTOO-OAHLLOKOSA-N 443.313 0.429 30 10 ICEE CN(C)c1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443826 KMXPUOBEJUULIT-JKSUJKDBSA-N 435.488 0.761 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 460800445 CGVSUKDFDYHGAM-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 463259129 CMISCFKDEJYRLU-UHFFFAOYSA-N 435.550 0.356 30 10 ICEE Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 522664816 DLFCMDWYGQXRKO-MRXNPFEDSA-N 443.533 0.737 30 10 ICEE N#C[C@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCN1C1CC1 732674463 ILZNALZDEJBQCR-FQEVSTJZSA-N 447.561 0.730 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)CC1 783611081 QNEWEOXEOHYASY-UHFFFAOYSA-N 444.536 0.600 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)N(CC)CC)CC2)s1 1136027068 SFQWKEJZHOXZHD-UHFFFAOYSA-N 442.607 0.768 30 10 ICEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(F)(F)CO)CC2)CC1 1171648828 VLDSTHFSIPWXGF-MRXNPFEDSA-N 427.521 0.702 30 10 ICEE N#Cc1cc2c(n(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c1=O)CCC2 1190192456 AUOVUOKDYUQHJR-UHFFFAOYSA-N 442.497 0.868 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2=O)cc1 1234023756 MKFWRHCWEBHLNW-ZWKOTPCHSA-N 425.489 0.726 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1265186745 CZRCWVGLUGIFNC-SFHVURJKSA-N 437.518 0.780 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286353426 WENFNXKOLBLVFF-QZTJIDSGSA-N 447.565 0.201 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1286462677 QTWZTIFGNYLXLU-AWEZNQCLSA-N 435.506 0.527 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1286580646 AWRWIRSPEHATEQ-JMGYQRAPSA-N 445.611 0.925 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286611886 QDHGBAQESDHDTF-QGZVFWFLSA-N 434.541 0.548 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286770427 KNRATSLCYXCNIP-INIZCTEOSA-N 445.549 0.937 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300479282 KTOOTEIRSOGSJK-GJZGRUSLSA-N 432.506 0.587 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300479756 RUFNEZAAXHPGNJ-GJZGRUSLSA-N 427.502 0.125 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300501279 ILQVOELDFOUISD-SFHVURJKSA-N 442.545 0.665 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1301588831 KGNKIRJCQCYXLF-SLTAFYQDSA-N 434.559 0.965 30 10 ICEE N#Cc1ccc(C2(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCOCC2)cc1 1302374547 OTWDJVTYNMFZFV-AEFFLSMTSA-N 431.514 0.716 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1359025296 JMYULUDGESWOSK-KRWDZBQOSA-N 441.554 0.124 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359126250 KCNRZIDMJQNMIG-XHSDSOJGSA-N 440.570 0.728 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359299299 BKQCHNMUPUCMES-CVEARBPZSA-N 431.541 0.664 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359299848 OHPIPYHOXMNBOZ-HZPDHXFCSA-N 444.540 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359326944 NPYPONQAEGJXSC-JKSUJKDBSA-N 425.555 0.976 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359343670 YFDUKLQOQPCGKI-KBXCAEBGSA-N 425.580 0.816 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 1444992442 WERYTMGKGIVSHS-LLVKDONJSA-N 426.451 0.931 30 10 ICEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC#CCN1C(=O)c2ccccc2C1=O 1460460410 SKRYFEVWLVHXNN-QHCPKHFHSA-N 443.500 0.874 30 10 ICEE CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1478684368 VLNBDUVHYUQNPV-UHFFFAOYSA-N 431.522 0.334 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1503769010 CXXBXMCREXIMPX-UTKZUKDTSA-N 444.492 0.783 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)CC1 1507739629 SEVAOSIGTVEONX-DYESRHJHSA-N 449.577 0.715 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCn2ccnn2)CC1 1507739847 LEYHSFGWBZVNES-UHFFFAOYSA-N 433.520 0.912 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1508073911 QCLCJEWYPLZTIJ-UHFFFAOYSA-N 436.314 0.627 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1508125775 IUHSAOOXZVTQMQ-PXNSSMCTSA-N 433.534 0.595 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508143886 KWHJSRQEDJIIIW-FQEVSTJZSA-N 430.534 0.724 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1517576653 LLNURPLTDLFRGE-HTXNQAPBSA-N 427.465 0.945 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539200886 RSGPXBUSOFKPSU-INIZCTEOSA-N 431.522 0.107 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539427974 KZMAEQSSXIRBHD-FQEVSTJZSA-N 442.612 0.295 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCSC2)CC1 1539467541 UPBDHCCKQRKDQU-OAQYLSRUSA-N 446.577 0.348 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cnnn2)CC1 1539480899 GCSUBMGNRSXRHV-KRWDZBQOSA-N 427.513 0.562 30 10 ICEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1541864764 BWYLPJGJOFGGCM-WMZOPIPTSA-N 439.520 0.761 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1554373191 ZAHPNRLFAKEFGC-UHFFFAOYSA-N 435.492 0.986 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1588228407 FPDJLBIDWYNUQW-SFHVURJKSA-N 425.514 0.790 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1588384723 ABOMVXXWQJAGHZ-HNNXBMFYSA-N 440.570 0.375 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1588388242 ZJFXAYITNUHBPS-HUUCEWRRSA-N 429.568 0.064 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCn2cnnn2)CC1 1588955057 PACUROHMSWYGEW-UHFFFAOYSA-N 434.508 0.307 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595550306 CGCUJYPNMXXHFX-WMLDXEAASA-N 426.477 0.760 30 10 ICEE CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1626655228 AIVZHFWQQFMDTI-CYBJUQQLSA-N 439.559 0.290 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)s1 1631900422 YEYDLNJJVXPVKL-MRXNPFEDSA-N 440.591 0.696 30 10 ICEE COC1(c2cnnn2C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1633678214 PLFARBCCZYMLRL-UHFFFAOYSA-N 446.533 0.798 30 10 ICEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)C2)nc1 1641702316 HJSBVGCDYPHFDC-MSOLQXFVSA-N 439.447 0.675 30 10 ICEE CC(=O)c1cc(Br)ccc1OCC(=O)NCCn1cc(C#N)c(O)nc1=O 1641970346 IFAZLXGVEVOHCQ-UHFFFAOYSA-N 435.234 0.981 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 1664525174 JQLDESZGAFNVMH-UHFFFAOYSA-N 435.289 0.957 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690723724 ZFRYOPYXHAWGTB-QGZVFWFLSA-N 448.549 0.591 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)[C@@H]1CCOC1 1696628929 NOPTWJIDXJGXJK-QGZVFWFLSA-N 431.518 0.982 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1705628840 QQAHJQCKMAJMCY-QFBILLFUSA-N 443.570 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1705936140 KQCFVJMMENXXHD-HNNXBMFYSA-N 439.563 0.812 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1722364590 IHAKOUSZGDHZMX-SFHVURJKSA-N 430.534 0.417 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1722421806 NDMWBSGSSVPFRQ-OAHLLOKOSA-N 440.570 0.233 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740600295 KOMXPGXSQBKUQD-DZGCQCFKSA-N 436.513 0.441 30 10 ICEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740782326 MTILXTKPROOJQO-OAHLLOKOSA-N 430.513 0.215 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1741104763 NPGPWFFBQUMIQJ-UXHICEINSA-N 440.504 0.964 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741480250 AGCRNCTYRLBIMW-MGPWXQLLSA-N 429.481 0.644 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748821402 QCWSZJMHGFYSPH-HNNXBMFYSA-N 426.564 0.435 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC 1748831588 QTDBAMRLJHEXRG-UHFFFAOYSA-N 428.518 0.404 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749037297 DHQIEORKONEMFQ-CVEARBPZSA-N 437.591 0.748 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1749677779 KQERXIKMISFTDI-UHFFFAOYSA-N 442.524 0.321 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1749738220 JHIIRNCGPCZYMH-UHFFFAOYSA-N 447.561 0.951 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1760126515 ATRFRJDGENOOPO-NXOAAHMSSA-N 425.555 0.884 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760525359 CFIKMPFHYAGWPN-INIZCTEOSA-N 447.565 0.332 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760557110 AJGCRUSEVRKLMU-INIZCTEOSA-N 435.554 0.407 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)CC1 1770743878 CGKPCHYEFUJFAJ-KRWDZBQOSA-N 436.582 0.767 30 10 ICEE Cc1cc(CCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)ccc1F 1856838535 MMOIKXZSKVMXIV-KRWDZBQOSA-N 436.509 0.665 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704671 KZWVZPYZGABWBB-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508886491 BCHDQZHLQSQIQN-HOTGVXAUSA-N 440.570 0.538 30 10 ICEE C=CCN1C(=O)C(=O)N(Cc2nc(Cc3ccc(S(C)(=O)=O)c(OC)c3)no2)C1=O 547103849 LDAFAMKDEFOOSZ-UHFFFAOYSA-N 434.430 0.549 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 588810862 MEYRUTPUNWSPGY-UHFFFAOYSA-N 428.561 0.684 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 603800311 WEQZDCCLACDOCO-HNNXBMFYSA-N 431.489 0.494 30 10 ICEE CC(=O)O[C@@H]1[C@@H]([C@@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@H]21 616582281 ASSGEEKBKJCWQS-MAPUTHEBSA-N 444.458 0.996 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 758076304 GAWQRRSTTKMBHI-UHFFFAOYSA-N 449.532 0.694 30 10 ICEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NS(=O)(=O)CC2(C#N)CC2)cc1 793194954 BKNYHWLONPHOKD-UHFFFAOYSA-N 429.520 0.846 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)CC1 813669000 BTUJTPAQYNRMRT-UHFFFAOYSA-N 425.482 0.367 30 10 ICEE CS(=O)(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1137252117 GERCNAVMRXTLLD-UHFFFAOYSA-N 439.559 0.995 30 10 ICEE COc1cc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1OC(F)F 1157884876 MKIQQCFSCPTKEV-KPZWWZAWSA-N 443.428 0.423 30 10 ICEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1212406652 BOCMCASFZGXTGI-LSDHHAIUSA-N 428.555 0.977 30 10 ICEE CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1286850662 HEWPHBBLYLKLAB-CQSZACIVSA-N 437.570 0.887 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300506148 NOZYLQZJFYPMRD-ZWKOTPCHSA-N 446.577 0.693 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C2COC2)nn1 1300635443 MJYGNBXAJJHUTO-UHFFFAOYSA-N 426.506 0.940 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 1301152557 ZUBHHLXVMFAUFC-GJZGRUSLSA-N 440.570 0.525 30 10 ICEE Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1-c1ccccc1Br 1301212250 BQSGQHKGGIGOFD-UHFFFAOYSA-N 444.249 0.902 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301498322 MUJWEQQAKQGQML-XHDOVSQSSA-N 430.534 0.905 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1301968171 KJTWCWFAKOOPII-RVKKMQEKSA-N 442.542 0.012 30 10 ICEE COCC1=CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315865786 UWPPKQPRGGLVQM-HTXNQAPBSA-N 443.508 0.726 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1316358165 WAGQDOLSBBMYLN-UHFFFAOYSA-N 447.521 0.545 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 1319283443 GENWFXIIUIUZRP-ZSMPXJMESA-N 430.465 0.374 30 10 ICEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1320187425 QDMRXDNUAYFJAJ-HZPDHXFCSA-N 443.547 0.961 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1359084225 AUZUGDJJLLNNOE-STQMWFEESA-N 435.344 0.940 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359216225 RMZGAQCOUCVPFC-OAHLLOKOSA-N 433.538 0.733 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359301244 VLOJRKWKJHCJBD-KKUMJFAQSA-N 438.554 0.005 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1360712465 AHHQNGZCTJSDNQ-AAEUAGOBSA-N 425.902 0.714 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1471201983 SIFBPSROIOJWFR-QLFBSQMISA-N 432.502 0.357 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1507643127 HWZPDEBUHCZKSN-UHFFFAOYSA-N 425.312 0.658 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1508085042 FEMRCHBSJRBSTD-CQSZACIVSA-N 430.538 0.705 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508136459 HAJOOHCIHMKTHD-CQSZACIVSA-N 425.536 0.564 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1539729990 NEFUZOSKJHITGS-INIZCTEOSA-N 442.586 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540902810 QZPKWSVPQHCJCN-NVXWUHKLSA-N 425.555 0.830 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1545928619 FRACTJKCKRLGBH-NVXWUHKLSA-N 447.540 0.420 30 10 ICEE Cc1cc2c(N3CC(NC(=O)CNS(=O)(=O)c4ccc(C#N)cc4)C3)nccn2n1 1558821306 RIXKMOUBMICPAZ-UHFFFAOYSA-N 425.474 0.193 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C)CC1 1588929494 BGIUVERDSJCNSD-NVXWUHKLSA-N 436.582 0.096 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589069010 HJCKQHOJTRRJEQ-CVEARBPZSA-N 427.596 0.914 30 10 ICEE C=C(Br)Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1589421393 KXMSDCSUDFIGNB-UHFFFAOYSA-N 441.330 0.257 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1589663370 MDJPXUMMVOREDA-OAHLLOKOSA-N 438.558 0.673 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1595466500 JXLUZYCKFSTZBD-UHFFFAOYSA-N 446.556 0.493 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1602768518 OPUFGWXUFGHHOL-CABCVRRESA-N 427.523 0.942 30 10 ICEE C#CCN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1618035295 KWMDPVBKGBQYGS-UHFFFAOYSA-N 425.576 0.922 30 10 ICEE COCCOC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1620036908 YIFVJFJLCSFAAM-QGZVFWFLSA-N 448.524 0.341 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1620176039 IDMAQGVVWMWGTF-IBGZPJMESA-N 446.512 0.898 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)CC1 1626545592 OYOCNTWKXNTXGA-UHFFFAOYSA-N 432.510 0.538 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 1640705003 DCCZVADQMBZZFK-ZIAGYGMSSA-N 445.563 0.851 30 10 ICEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCN(Cc3cccs3)CC2)c1=O 1643944098 ALBZVFHYGFLQDT-UHFFFAOYSA-N 441.557 0.958 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1644576070 AJSFHQMUYPEZRU-FMQUCBEESA-N 447.517 0.082 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC#C[C@@H]2CCCCO2)C1 1653543609 DSOOJMCZVIBYLE-GQIGUUNPSA-N 426.535 0.957 30 10 ICEE COC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697082692 VWOZXSYOSVDOJK-ZCXUNETKSA-N 429.481 0.645 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1705477515 PALBCAUGYNERAG-CABCVRRESA-N 428.522 0.975 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)N(C)C 1705484991 ASPYUVYTORSFMY-AWEZNQCLSA-N 429.510 0.270 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1722396252 HUCRWNLFHMFADS-LJQANCHMSA-N 431.562 0.902 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722699318 UFFRKYZZZUVFHU-LSDHHAIUSA-N 433.538 0.210 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1722726955 DDHBSAXBWWCRLQ-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(C)(=O)=O 1726998873 AVMUWGSCAHIRMF-HNNXBMFYSA-N 432.554 0.934 30 10 ICEE CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1727291230 DJUBPQGNHJIEDX-YOEHRIQHSA-N 444.533 0.604 30 10 ICEE CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1728601196 CYRNCRMZCVIAQP-KRWDZBQOSA-N 440.600 0.853 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)CC1 1740698561 IMDAMBXFANAIBH-NRFANRHFSA-N 444.561 0.830 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)COC(=O)N2 1749193279 FEFYRVVCIWXRTI-AWEZNQCLSA-N 440.526 0.266 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1751027580 XQFLVYGCWUKWCC-LAUBAEHRSA-N 448.524 0.296 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1760206238 UKXZQABLTKDASF-ZWKOTPCHSA-N 434.566 0.024 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1760219842 PTUMOIUJNXLYNF-QZTJIDSGSA-N 435.550 0.501 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1760688942 QDCMXJZVJHOSJG-MNEFBYGVSA-N 441.554 0.464 30 10 ICEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CC1=O 1855335856 VFTLKPVEKPWVTF-ROUUACIJSA-N 426.583 0.922 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521429 SAVVCGHWYVWVEE-CYBMUJFWSA-N 448.329 0.905 30 10 ICEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(=O)O 2284416076 TZYFXQHJVHKYQM-XCBNKYQSSA-N 425.721 0.813 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2/C=C\C(=O)c2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O 263628955 KUVKOKYHHVKVFE-IWRMMAITSA-N 427.453 0.905 30 10 ICEE COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 554896841 YEIVUQRSQNMVCS-UHFFFAOYSA-N 436.515 0.876 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 603799745 VMHZTYIAVGJRMG-INIZCTEOSA-N 431.489 0.494 30 10 ICEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732666162 JMKVQUSBAZXQAY-UZLBHIALSA-N 431.518 0.487 30 10 ICEE CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 782107946 NKIOASZPYYBFNF-FQEVSTJZSA-N 438.532 0.488 30 10 ICEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 802633159 PQRMGZNRXOHOPU-QJIFYWSCSA-N 435.506 0.175 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)s1 1149025073 HLXUSYFYBQJNER-CQSZACIVSA-N 449.620 0.332 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 1176047337 WACMOKUEDMNTTG-KRWDZBQOSA-N 449.533 0.740 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1286398902 SRWMPVCLSMNXPE-SZMVWBNQSA-N 449.533 0.974 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1286465457 NRSJUUICGQSWNN-QGZVFWFLSA-N 431.518 0.789 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1286788248 SOKSFJPLAHPZOY-XAUUPUKJSA-N 438.554 0.435 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)C)C1 1286816175 CPYPPGSDOTUOAX-GJZGRUSLSA-N 433.600 0.971 30 10 ICEE CCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1292979021 YTAKPWRTBMQISD-ZCXUNETKSA-N 428.497 0.361 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(CCCO)C3)CC2)cc1 1298083373 DJHVJEWPTNJPPI-LJQANCHMSA-N 434.562 0.922 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1300578260 KDENQHBUKNVAQR-QZTJIDSGSA-N 435.550 0.499 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1300672973 CUZWSUMTUIFMSH-UHFFFAOYSA-N 445.593 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C)s2)CC1 1300723199 QEXHQKBOLPUPSO-CQSZACIVSA-N 428.522 0.403 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1301497370 UTWKGJPHCQWLEC-UHFFFAOYSA-N 438.492 0.859 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C[C@H]1O 1315109985 QETWJWOMGPJIOE-JBYIUTFZSA-N 441.488 0.982 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)O)CC1 1359040079 HAWRSEYSHLJLLG-UHFFFAOYSA-N 425.493 0.662 30 10 ICEE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1473850445 OCKJMBZJWHGNCZ-FBBABVLZSA-N 434.562 0.048 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CCC)C2)CC1 1507732822 XUHAGZIHAOQPOM-RTBURBONSA-N 434.610 0.667 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1507934970 LFUVCJKABGAROQ-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508084486 CFRBVVQTUAGBFU-HRAATJIYSA-N 428.468 0.768 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1508086390 KYCNGFGLGLKOOB-IRXDYDNUSA-N 441.540 0.656 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)COCCO1 1510202075 WYMINWKDSQBNFP-JCGIZDLHSA-N 426.543 0.824 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1540871343 JJTGSFWBIKAJAE-OAHLLOKOSA-N 425.555 0.876 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(nc3O)CCOC4)CC2)cc1 1543122657 XCJXRNWUQZKPDW-UHFFFAOYSA-N 428.470 0.878 30 10 ICEE CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1554512236 KMUDIPYHCBUCOK-RLFYNMQTSA-N 426.543 0.681 30 10 ICEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1587037902 UJCKZAYEYVQWKY-UHFFFAOYSA-N 426.477 1.000 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1588646402 JMGLXDHXVSJXBW-QGZVFWFLSA-N 433.534 0.496 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1595971568 RUUITIMCLAOVJT-OLZOCXBDSA-N 437.946 0.832 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1612877428 BQOMLQBUSSSSCE-BBRMVZONSA-N 436.476 0.472 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613341038 BLBIHAAIONKYDF-IAOFPLEJSA-N 429.481 0.959 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1675815400 IMLZVSUNKPYRNL-JVPBZIDWSA-N 442.538 0.592 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689994464 YVZPBLMBOXEGLO-OXJNMPFZSA-N 435.550 0.188 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705652719 KXYRFCLHIJCUID-HNNXBMFYSA-N 425.580 0.894 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1712290863 MFLBFEKCPGLNIW-RMYFCYLKSA-N 427.465 0.651 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1722296647 SYIYUHNTHMHOGE-MAUKXSAKSA-N 433.534 0.610 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722358595 JKJCSXWPJHBWIU-MRXNPFEDSA-N 428.580 0.853 30 10 ICEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722455219 QNKLNBYLQRKOSO-INIZCTEOSA-N 440.529 0.467 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1723951723 CTFOOSZXLQIDMX-GOEBONIOSA-N 439.586 0.880 30 10 ICEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1724249570 FNEOIDOSWUAJDG-SFHVURJKSA-N 437.504 0.981 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)C1 1731180413 BBYSSJWKLFIQHP-CKEIUWERSA-N 445.542 0.589 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1740622132 UXGVLJFZJIBKFO-MRXNPFEDSA-N 447.521 0.148 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740623798 AXXZJCCDNNBKSZ-UZLBHIALSA-N 435.550 0.596 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740959689 CQRBMKZJNKETCE-IRXDYDNUSA-N 447.565 0.829 30 10 ICEE CCOCc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747130334 SRQHPFWGBAEJJY-IVFAQJDTSA-N 429.481 0.200 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1=O 1748046651 BLCVPJOTPACLTC-FCHUYYIVSA-N 437.504 0.909 30 10 ICEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1750000026 BNJLYWXKLKHOSV-UHFFFAOYSA-N 445.549 0.718 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC=CCO2)C1 1750212130 YTWCVAIQRIOOCJ-VKJFTORMSA-N 440.501 0.398 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCOC2=O)CC1 1760265241 SWVXCGQPYKYIHV-UHFFFAOYSA-N 445.524 0.224 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1766703794 BDJWNWIEUNBBOO-UHFFFAOYSA-N 437.570 0.812 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)COc3ccc(Cl)cc3)C(=O)C2)C1 1856830255 NPKLFLPOIVAHSC-OAHLLOKOSA-N 440.909 0.317 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 478391046 KJGMLFVDWNTZBB-IBGZPJMESA-N 445.520 0.439 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)o1 480935505 MXWRHMAWOQAGTG-HNNXBMFYSA-N 429.498 0.610 30 10 ICEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)c1 481028415 XAADBPUQBQRSTQ-UHFFFAOYSA-N 446.508 0.976 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 506646749 NHYKCSHEKYZHHD-UHFFFAOYSA-N 449.986 0.309 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1Cl 525686916 WRLFGDNLWDSCBS-UHFFFAOYSA-N 431.901 0.929 30 10 ICEE COc1ccc(-n2cc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nn2)cc1 572415654 ATEIFKGXMPUZDK-UHFFFAOYSA-N 426.458 0.742 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 619831595 ZXEFNMGXMVHUGN-HUUCEWRRSA-N 427.527 0.577 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 743725045 BDACLRYPJMZDPW-UHFFFAOYSA-N 432.571 0.735 30 10 ICEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 757858446 XOVAYYZHDRCYSD-HOTGVXAUSA-N 437.584 0.619 30 10 ICEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 794581341 KPDFQYCDLWULEW-KRWDZBQOSA-N 443.525 0.334 30 10 ICEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 809918476 ZOUKLQZIOQQUSH-CABCVRRESA-N 436.513 0.724 30 10 ICEE C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 818593359 VVGWVSBJQBKKSL-UHFFFAOYSA-N 436.578 0.706 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 1152967744 OJCVOWBOEHECIW-UHFFFAOYSA-N 430.870 0.629 30 10 ICEE C#CCN(C(=O)CN1C(=O)C(=O)N(CC=C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1155366611 BMLMCHNFLXQCSG-UHFFFAOYSA-N 432.477 0.825 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286786672 WMADOAKJMRSZLR-QGZVFWFLSA-N 425.493 0.564 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286820079 DLAYLBVUHKSEMM-SOUVJXGZSA-N 434.584 0.641 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1297759931 LUTWQVVAXUKHJB-SFHVURJKSA-N 448.549 0.998 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)CCC)CC1 1300721989 FBYCYNJPPMKRIG-SFHVURJKSA-N 429.569 0.927 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1358979849 ZLLFLFFCPNRVDR-SFHVURJKSA-N 445.549 0.082 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359054331 RIFPAWYAFYMECL-HXUWFJFHSA-N 442.549 0.860 30 10 ICEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1439841101 LKDARFRXZFCGHJ-GOSISDBHSA-N 429.454 0.860 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507622031 ANECKFNTAXUAIM-KURKYZTESA-N 449.577 0.692 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1507979701 CBQHNBLCXICXSG-CQSZACIVSA-N 437.551 0.991 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537528768 HCPPBZXMKUWPFQ-HOTGVXAUSA-N 431.555 0.998 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1538974139 RDZXUNACSXOZSK-HZMVEIRTSA-N 426.587 0.846 30 10 ICEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1539118030 DVPZRZNMOFSMDV-QEEYODRMSA-N 430.486 0.395 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1587990364 WHVPOHBMJTVLJB-WMZOPIPTSA-N 431.518 0.684 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 1588199266 LPRJVHQAWPWQKH-GOSISDBHSA-N 434.518 0.399 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1595812433 SWGDMDNXNIAZPV-UHFFFAOYSA-N 432.550 0.923 30 10 ICEE C=CCCO[C@@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623708291 XAEPAPGMSQMDLX-KRWDZBQOSA-N 438.550 0.732 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1640201463 HNIDSSZVRKFYEY-UHFFFAOYSA-N 432.278 0.417 30 10 ICEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)c1 1645267785 NCVIGJYRDLPLDK-LPHOPBHVSA-N 439.559 0.677 30 10 ICEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1647951493 FQCFQYMWLNQTJA-KBXCAEBGSA-N 434.543 0.996 30 10 ICEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072593 GSWUFGQNJUBLFK-SQGPQFPESA-N 435.571 0.864 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c1 1653539438 DYZIFRZDADKPCY-QGZVFWFLSA-N 429.502 0.496 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 1674461641 PBFVFWPXOANJFR-UHFFFAOYSA-N 437.591 0.535 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690464939 NRBGIEBIORZMEH-IRXDYDNUSA-N 425.555 0.878 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1690597065 IORHDRSCDRQCEP-HNNXBMFYSA-N 436.542 0.459 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1690661337 ZOYVHXKIOKOQOV-GDBMZVCRSA-N 440.570 0.443 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2nc(C)no2)CC1 1690674995 MWIPYJKFIWGEQQ-UHFFFAOYSA-N 428.497 0.778 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696838792 FZVTWVKIRAHRHF-UHFFFAOYSA-N 444.439 0.976 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1=O 1698085867 SGEMLQPVOJDHRI-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705605427 KTPIDQCMDWJAFB-FQEVSTJZSA-N 440.566 0.718 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705639916 ZDJPGBYCJGJJTD-MSOLQXFVSA-N 438.523 0.893 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1712454505 HODDJKVGNUKNPG-QGZVFWFLSA-N 433.557 0.831 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCOC)CC1 1722543695 RYIANCFVKBSQDN-ZDUSSCGKSA-N 448.977 0.620 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C1 1722710081 CVLSJKATNRDTNW-UONOGXRCSA-N 447.583 0.247 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1728779920 FHAPQEFGNZRGHE-LJQANCHMSA-N 440.570 1.000 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1729344102 YMEGYAQDQWCQJX-FQEVSTJZSA-N 443.533 0.425 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740716699 WZFHDGGMYOOBSQ-ZIAGYGMSSA-N 426.568 0.114 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740787115 AQUFGJZWPBIWEF-NVXWUHKLSA-N 437.570 0.658 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740959688 CQRBMKZJNKETCE-IAGOWNOFSA-N 447.565 0.829 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748960386 JNEGABXOFZGPJG-GJZGRUSLSA-N 444.458 0.578 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@H]1C 1760173318 QTERWEPVIUABHK-QGZVFWFLSA-N 446.577 0.986 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1760187677 LHCOFIMMPFDSGC-ZMMAXQRCSA-N 447.561 0.837 30 10 ICEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760760729 CZFUTTNSUJANQY-QGZVFWFLSA-N 439.520 0.859 30 10 ICEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1768519045 XUSKWZXHDSBJAY-IBGZPJMESA-N 438.536 0.951 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)[C@@H](C)C2=O)CC1=O 1857096249 JLKYEZFNFWONLE-QWHCGFSZSA-N 441.456 0.747 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)c(OC)c1 1865722049 JAAGQLNFNDEBDC-CQSZACIVSA-N 428.445 0.098 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(N3CCNC(=O)C3)C2)[C@@H]1c1ccc(C#N)cc1 1892006109 MWWHYSJEOMQZIR-SFTDATJTSA-N 441.557 0.594 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267584097 BAMIJQAVKXKVPZ-LSDHHAIUSA-N 448.329 0.876 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 566985089 INHCYUTXZPCAIN-JKSUJKDBSA-N 429.543 0.427 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 726042458 JFNSYNPDMXHIGS-UHFFFAOYSA-N 425.401 0.009 30 10 ICEE CN(CCCC(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)c1ccc(F)cc1 731862317 CPHIONWHJXLEFF-VHEBQXMUSA-N 438.481 0.869 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 795077787 FMTRPVNKSISVJH-FXAWDEMLSA-N 428.537 0.002 30 10 ICEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920994227 VKHDBLAOVXYVQR-AWEZNQCLSA-N 428.561 0.390 30 10 ICEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1162407801 FVMWCTSOIJSTJL-UHFFFAOYSA-N 432.525 0.634 30 10 ICEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCCc2ccc(F)cc2)c1=O 1189868952 KGRSUCJBDPQZOF-UHFFFAOYSA-N 430.436 0.721 30 10 ICEE CN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)c1ccc(F)cc1 1246083769 JTTKADFUHPPKHJ-GUYCJALGSA-N 444.510 0.026 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2cc(OC)c(O)c(OC)c2)CC1 1253681886 GVGNNCQGNLDMMP-UHFFFAOYSA-N 440.522 0.137 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286383500 WZLVBUBKVAYMOK-IRXDYDNUSA-N 436.582 0.527 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286384368 QHJHPCFVVOJZDX-QKLQHJQFSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300500589 BZBXEZKVOLBOEX-UZLBHIALSA-N 437.566 0.578 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300755579 XMSLDGBHOHTDPF-UHFFFAOYSA-N 426.506 0.622 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301498458 OKJDOJNBQJLWKV-UHFFFAOYSA-N 431.541 0.812 30 10 ICEE COc1ccc(Br)c(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1309695821 AVDYFRKBFYLENZ-UHFFFAOYSA-N 429.252 0.570 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1316217339 VMAJDTUCYMHXCU-MRXNPFEDSA-N 445.524 0.725 30 10 ICEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1337696316 XKMJWEMRGFNKBH-NVXWUHKLSA-N 430.548 0.572 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1358890531 QQYBRBAUNBUOSZ-RRFJBIMHSA-N 445.636 0.918 30 10 ICEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCN2CCO[C@H]1C2 1436422170 APLBVASAOGGJHU-UXHICEINSA-N 432.546 0.890 30 10 ICEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1473745928 BUHVXRCAOJVPPD-QGZVFWFLSA-N 435.546 0.885 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1554442188 MYTUVHUNLPEAQD-LAUBAEHRSA-N 426.477 0.573 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(S(=O)(=O)CC)CC2)s1 1556050793 SBSLRUXEYIBRPG-UHFFFAOYSA-N 435.593 0.685 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1558817387 UMLJVQQCKZNTKK-UHFFFAOYSA-N 441.531 0.298 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588050343 RMZCGPSWIBYVKJ-QGZVFWFLSA-N 430.534 0.739 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1626966383 AVIBEBDPYQUFDT-HSZRJFAPSA-N 444.532 0.035 30 10 ICEE C#CCN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1629537203 VRAAWDDJUKTVME-IBGZPJMESA-N 435.546 0.884 30 10 ICEE Cc1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1S(=O)(=O)NCC#N 1642605247 GWRGOTWNOHTRQG-UHFFFAOYSA-N 440.547 0.437 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1653357330 IQQYYQKZELFKOM-QRAHRUOTSA-N 434.250 0.740 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 1671028141 WWAGYRBQHKFRMC-MRXNPFEDSA-N 425.942 0.714 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689996617 KRPJGEBGPIAXGP-IRXDYDNUSA-N 435.550 0.454 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1690029452 CCJLUDPKFCDYIS-CZIZESTLSA-N 435.488 0.503 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1690076884 DCFPEPWSCYKKHP-OAHLLOKOSA-N 449.562 0.828 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1690508246 DPGMGZMLNRMUKO-HNNXBMFYSA-N 439.538 0.852 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1690527782 TWNGTVQYEORERQ-CYBMUJFWSA-N 425.515 0.421 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705520051 GQXBNIDPURGPMM-UHFFFAOYSA-N 441.580 0.948 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)CC1 1705638821 XWCLKVSJERIIMF-LJQANCHMSA-N 435.532 0.343 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1705662369 XHCBMWMEWCMLGR-LSDHHAIUSA-N 429.568 0.203 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)CC1 1722438386 XBZKPXPZGAJTBX-INIZCTEOSA-N 434.591 0.943 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722523365 PPHOSQHDXMANNB-AWEZNQCLSA-N 431.584 0.617 30 10 ICEE CCc1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727574499 KHMUMJQJLLEUCW-NXHAUGRDSA-N 427.509 0.862 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1729396162 ABFQGAOHLWCOAH-QGZVFWFLSA-N 443.533 0.773 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1740687019 ZKERGCXHFDHKQE-INIZCTEOSA-N 432.550 0.776 30 10 ICEE CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1749205080 DCSSTTYNMHLGRU-NMVRPWEDSA-N 443.508 0.617 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1=O 1767509234 ZFZLITPKVKMWMO-QFIPXVFZSA-N 437.504 0.909 30 10 ICEE O=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1771570733 MIPKQXKAORUWSK-UHHPSXQGSA-N 429.481 0.372 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)[C@H](C)C2=O)CC1=O 1857113833 DSSKBPBCHRJDBU-ZBFHGGJFSA-N 437.493 0.749 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)[C@@H](C)C2=O)CC1=O 1857487579 APFUAWUFASVIJY-LSDHHAIUSA-N 437.493 0.917 30 10 ICEE CC(C)(C)OC(=O)N1CC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)(S(C)(=O)=O)C1 2306843251 WNYUOBCABVXMNT-UHFFFAOYSA-N 442.343 0.772 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OC 481752818 DMYFFIKWTILLSY-HUUCEWRRSA-N 429.495 0.553 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cn1 735069719 ZZKPXWFHUZVXIP-UHFFFAOYSA-N 436.497 0.143 30 10 ICEE Cc1nccc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 760096145 ZOMRSPQOGWIQHU-AWEZNQCLSA-N 428.518 0.951 30 10 ICEE Cn1cc([C@@H]2[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC(=O)N2C(C)(C)C)cn1 795094195 ZQZXOPHXGYZXED-LMSRLYBFSA-N 428.493 0.751 30 10 ICEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 808465536 VPNAQRZDYRTCLL-QGZVFWFLSA-N 432.502 0.699 30 10 ICEE CCNS(=O)(=O)c1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1161254051 BIGHDMPWKNWKIL-UHFFFAOYSA-N 436.515 0.340 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 1175514627 BKPCTBHNMZHMEY-HNNXBMFYSA-N 436.559 0.373 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)CC1 1175515277 VJOQKFFGVIEDNJ-UHFFFAOYSA-N 432.380 0.778 30 10 ICEE N#Cc1ncn(CCNC(=O)N2CCC(n3nncc3I)CC2)n1 1228010928 RTAJTHJBQDPXTA-UHFFFAOYSA-N 441.237 0.393 30 10 ICEE C#CCN(C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCS(=O)(=O)C1 1231210726 JZOUZINMMRJVBK-CVEARBPZSA-N 441.550 0.987 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 1254103632 WQEHRQCNBFPJOC-ICSRJNTNSA-N 433.578 0.549 30 10 ICEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)Cc1ccon1 1286371073 DFSMIZGYJKSJRV-UHFFFAOYSA-N 444.473 0.851 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)CC1 1286470261 WAHRMKRHXVQFCB-UHFFFAOYSA-N 431.522 0.115 30 10 ICEE Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290876516 OAFGCXJINDQGQI-FMQUCBEESA-N 429.525 0.662 30 10 ICEE C=CCOC[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1297029758 NAKPQCIFBHFQDZ-ZIAGYGMSSA-N 434.511 0.271 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301490914 IEEYTHCOUYWSJQ-OAHLLOKOSA-N 426.525 0.365 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302909480 RVNUCJDMRCMEQR-MGPWXQLLSA-N 436.538 0.626 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1304910443 IMSNAKITORSERD-OYHNWAKOSA-N 437.504 0.874 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1316217324 VMAJDTUCYMHXCU-INIZCTEOSA-N 445.524 0.725 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1359010189 JLCCDWUEOUYDGD-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359029481 YVCHZSRZONAOPN-MSOLQXFVSA-N 439.520 0.732 30 10 ICEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1359164253 JNUFCVKZJPTVHW-UHFFFAOYSA-N 443.533 0.898 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1359291668 ZRYXAGWYDLPTCW-UHFFFAOYSA-N 447.584 0.800 30 10 ICEE C[C@@H](CC(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1455477610 XANADYRTXAIJGE-AVOUXACISA-N 439.559 0.976 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@@H]43)CC2)cc1 1471419858 QEDGFGXXLPLZDX-RBUKOAKNSA-N 446.529 0.465 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1508409669 CCFKKXODECQOEP-QWHCGFSZSA-N 432.572 0.309 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1519512806 QOKMEENPDBXUCO-RCCFBDPRSA-N 431.518 0.980 30 10 ICEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1521138133 ZEPDNEZJOHDIOF-RRFJBIMHSA-N 432.506 0.538 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539200295 FUSCKODHDNUFFA-HNNXBMFYSA-N 433.538 0.133 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OC 1556375914 WHZFXIYMPSRAAM-PJIJBLCYSA-N 446.522 0.129 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588074071 IGWWBLCZSYHJRK-KRWDZBQOSA-N 431.518 0.589 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1593695386 FFLPNWXSKOECAJ-UHFFFAOYSA-N 428.497 0.980 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595562147 OZELJPUZBBMWJM-UHFFFAOYSA-N 438.536 0.904 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1611124988 QXWPOFVYHFILFM-YESZJQIVSA-N 445.582 0.850 30 10 ICEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1611571567 RTHMZAMOXLATPG-ZACQAIPSSA-N 428.445 0.990 30 10 ICEE CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC#CCO 1617900641 KPLBJJDSRYRQPH-CXAGYDPISA-N 443.953 0.847 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1620018380 DFLGNKQNUUQERV-PLMTUMEDSA-N 433.557 0.245 30 10 ICEE CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639782616 KDQWHYSWWJIFGF-HTQZYQBOSA-N 425.276 0.868 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(OC)c(O)cc2Br)C1=O 1640801901 DDXHMEBDIRDRRA-UHFFFAOYSA-N 426.223 0.756 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)CC1 1650846003 FFOVSLDGJVRQIX-UHFFFAOYSA-N 434.497 0.755 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)CC1 1690115105 SCPUAQFDNZUMHW-SFHVURJKSA-N 445.545 0.519 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNS(C)(=O)=O)CC1 1690150424 GXPOLUNCRFEEBD-UHFFFAOYSA-N 436.582 0.526 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1690715576 OIFVUJFMUBGWNQ-KGLIPLIRSA-N 449.599 0.493 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1705564618 DCQVYRMJQLCVPG-WBVHZDCISA-N 449.533 0.982 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C2CC2)CC1 1705647657 KDSKBXKKGRARMR-QAPCUYQASA-N 427.553 0.678 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705680844 IKYOWONTSNZJLN-SDDRHHMPSA-N 447.359 0.512 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C1 1705917317 WAWITLJYENWVQZ-KFWWJZLASA-N 440.570 0.584 30 10 ICEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1710688622 DKHQZAFFOGFRJO-FQEVSTJZSA-N 429.456 0.520 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1722732247 WTAZKOWQMQAPNU-YJBOKZPZSA-N 425.511 0.260 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740616128 SYQRPAQPDXDADN-MRXNPFEDSA-N 446.533 0.794 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1747544493 CAHPSHHZQXADNP-UHFFFAOYSA-N 445.549 0.072 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748820964 KKVHKUMLRDBRAR-GOSISDBHSA-N 435.594 0.968 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1749023480 SPBNDYGRZMYAFU-OAHLLOKOSA-N 442.611 0.559 30 10 ICEE COC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1749577504 CMGXILHWXIIELK-KIZWIEFCSA-N 430.509 0.997 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749630209 OWJNOXFSVPPSQC-JKSUJKDBSA-N 425.555 0.928 30 10 ICEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@H]1OC 1750186723 GGJFTZYOPMYNLF-HDICACEKSA-N 440.504 0.949 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cc[nH]n1 1760248814 QYLNTOMXYAZPGE-UHFFFAOYSA-N 440.464 0.245 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1760357463 JNURMEHCPDAVOO-SJORKVTESA-N 425.555 0.294 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CC2)CC1 1760557382 JRJQYXZCRSOIIA-UHFFFAOYSA-N 436.582 0.533 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1767213916 CZEVLPYRXUPZFF-UHFFFAOYSA-N 448.535 0.744 30 10 ICEE COC(=O)N1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1767928992 CPBVQJMWBRPAID-MRXNPFEDSA-N 431.497 0.721 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1772564664 OPZISBVHPLWCEK-MRXNPFEDSA-N 443.570 0.676 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2255699762 RXCFSWJEASWCQU-QWHCGFSZSA-N 433.318 0.948 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2267270522 MJHHDXVSRUDBIS-NSHDSACASA-N 445.251 0.645 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267614657 RCXHDPQNGLHQQN-HIFRSBDPSA-N 448.329 0.733 30 10 ICEE O=C(NCCCN1CCOCC1)c1cccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 20354716 BKFMGRYXJZKXIB-SJORKVTESA-N 438.575 0.628 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 105264743 UZQXDRWSRZJMIT-IBGZPJMESA-N 434.562 0.676 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)CN3CCCCC3)CC2)cc1 434451369 BFQLNMMVARHJEV-LJQANCHMSA-N 434.562 0.922 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 482073160 JLHRNZBDVMNCEB-OAHLLOKOSA-N 443.533 0.430 30 10 ICEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 561919629 GVTIVJTYGYPFJS-CQSZACIVSA-N 440.547 0.540 30 10 ICEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 679515697 GQTDMZJOAQDBPW-UHFFFAOYSA-N 439.534 0.477 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 679532257 OFXUXVFSNUWLET-UHFFFAOYSA-N 441.506 0.364 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O 743728488 KBQBLLBIQWABHH-AWEZNQCLSA-N 446.554 0.216 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790356165 OFYJKHVNPWOOFK-UHFFFAOYSA-N 437.525 0.770 30 10 ICEE CN1CCN(CCCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1141531615 HTUFLQUKPGYHPE-IBGZPJMESA-N 426.521 0.907 30 10 ICEE C#CC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1161365177 PJCDMSXWKRPIJB-UGSOOPFHSA-N 436.262 0.897 30 10 ICEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 1176380946 HIALGDMLTJLGAH-UHFFFAOYSA-N 433.530 0.826 30 10 ICEE C#Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1180210703 MNNDEADSNNHXPJ-QGZVFWFLSA-N 443.481 0.990 30 10 ICEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1196429060 CLPSNVORCRBLSZ-IRXDYDNUSA-N 435.546 0.883 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286344708 IQTYHMXRDWSLJJ-UHFFFAOYSA-N 448.535 0.544 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)CC1 1286473456 SWDDIKLAWUCHIK-OAQYLSRUSA-N 428.541 0.743 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1303512649 LYBCAVKYCJSNLU-MGIDEDSVSA-N 435.502 0.842 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1309357990 HENZCAVLLSJWRI-SNVBAGLBSA-N 437.341 0.515 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316210634 QFZVOYQVXXALFI-CABCVRRESA-N 427.527 0.556 30 10 ICEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1360728129 HOTYOZUSUQXROB-DEYYWGMASA-N 437.547 0.878 30 10 ICEE C=CC1(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1442994295 POGQMLHZHDFQMQ-HZPDHXFCSA-N 443.566 0.414 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2Br)CC1 1473348152 WTZVMQDFLSKUDZ-UHFFFAOYSA-N 429.340 0.863 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507626632 OHJSLUNEWUHUGI-VDGAXYAQSA-N 440.566 0.718 30 10 ICEE CC(C)N(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1510216417 BEUZKILYNBTFTP-HOTGVXAUSA-N 427.575 0.736 30 10 ICEE CC(C)(C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C#N)cc1 1542125381 SGTQKYBHUPZSNZ-QGZVFWFLSA-N 439.559 0.497 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 1542894710 JATIPMKFJHAUDI-UHFFFAOYSA-N 446.552 0.983 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1595602403 JLZAXIQBURVLIY-OAQYLSRUSA-N 442.524 0.349 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1616927212 JMVFVTLMRPQWLS-YLJYHZDGSA-N 442.582 0.488 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)n1 1637850866 MITLVTJQGNLQDV-UHFFFAOYSA-N 438.488 0.926 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)s1 1638416350 LYAITNSOEOLMKM-ZDUSSCGKSA-N 429.520 0.035 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1648798606 BOUKXOLITRHTLV-AKCHCHLHSA-N 438.550 0.467 30 10 ICEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)CC1 1655093574 DMXDZILDVWLMIZ-KRWDZBQOSA-N 437.591 0.567 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 1669529105 FLDRUAAIYVPJAJ-HZPDHXFCSA-N 436.538 0.312 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CC1 1680064562 SGXULJWAZNQRBY-QGZVFWFLSA-N 432.506 0.457 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683536820 MITIFPSKVVMGJC-LJQANCHMSA-N 435.550 0.482 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1689847606 CTALQXOXSNADPK-UONOGXRCSA-N 434.522 0.888 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689966499 TWYQTDAXGNDZCO-ULQDDVLXSA-N 449.556 0.596 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689982358 LHQQROGIJFHPRU-VQIMIIECSA-N 426.539 0.593 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C(C)=O)CC1 1690066753 MSSRPCCPJAJXES-UHFFFAOYSA-N 448.535 0.544 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1690713997 BDLXXIQYMFMIDO-CQSZACIVSA-N 427.527 0.407 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690844344 ZYFVQHUQTHJGRO-ZZEZOPTASA-N 436.476 0.535 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1696593296 MHCMHJUNLJEHAH-UHFFFAOYSA-N 440.508 0.237 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705567547 YSCJNJHVWKLNEX-LUKYLMHMSA-N 435.550 0.671 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1722461054 LMXBWFDPVHXZST-LSDHHAIUSA-N 426.568 0.573 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722726357 CULFWTJSOWLDMY-ILXRZTDVSA-N 436.538 0.077 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722732936 SYLSTRVJESJQAX-CXAGYDPISA-N 430.600 0.770 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1730585733 DVTCPSGIWGPZCK-GOSISDBHSA-N 440.504 0.950 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1740685277 DQGKUEATONBOEO-CVEARBPZSA-N 443.595 0.450 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740787283 GDFIZACAAXUMFS-OAGGEKHMSA-N 440.570 0.443 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1740898906 AAZWNAOFRYBHCS-QGZVFWFLSA-N 431.522 0.929 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740959707 CZTYMDJJGXPSRC-NEPJUHHUSA-N 437.444 0.250 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1740964845 WBEGDKFXYOAFIC-UHFFFAOYSA-N 430.490 0.266 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1748818346 AODFLNNFMKSIAM-QGZVFWFLSA-N 426.506 0.182 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1748860185 XMDALLDVUZNUGL-RBUKOAKNSA-N 448.593 0.416 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749730332 AFJPJCYNGTZDKN-AWEZNQCLSA-N 442.567 0.344 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1749832390 GMMRBYGQAQQXJQ-OAHLLOKOSA-N 427.527 0.436 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1760219174 XFHXAONZVKSKPU-UXHICEINSA-N 447.605 1.000 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760269318 FFANAHXMFXUMRS-WMZOPIPTSA-N 449.577 0.920 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1760351326 GJQWPXQVPFTTNH-ZBFHGGJFSA-N 428.559 0.586 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1760516405 MOHDCBRRBGLAEG-ZDUSSCGKSA-N 428.559 0.584 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1767002977 WKYYYTLBVSTHDX-UHFFFAOYSA-N 427.465 0.322 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC(N)=O 1772660259 ZSBPORBGZAAGND-ZDUSSCGKSA-N 435.506 0.975 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)CC2)CC1 1889342138 RYTVHSSOIDJOMX-GOSISDBHSA-N 445.589 0.539 30 10 ICEE CN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nn2)CC1 1889648131 JAFIUPUENWNFJX-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629555 XMCWWRAZPBVKLF-TZMCWYRMSA-N 436.318 0.978 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255694601 QIAXNYPWXZCPCA-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2255744312 KILZWGNFCKYMRJ-UHFFFAOYSA-N 449.342 0.181 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2311709722 ACDMJVXKPLTAOK-JXEZDRHFSA-N 438.330 0.878 30 10 ICEE C=CCOC[C@H](O)Cn1c(NN=Cc2cccc([N+](=O)[O-])c2)nc2c1c(O)nc(=O)n2C 2328608936 AMOOERVNDHPYSK-CQSZACIVSA-N 443.420 0.753 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCSC[C@@H]2CCO)CC1 470369788 QFAVOANJLUAAJP-KRWDZBQOSA-N 438.575 0.191 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)c1C#N 472052458 LICSXBPYFWIEMV-UHFFFAOYSA-N 442.568 0.376 30 10 ICEE CCOC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 505243261 WRNLAMXXOHFKQD-UHFFFAOYSA-N 435.502 0.751 30 10 ICEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1C 524281236 MWDUFQHKFLIKFM-UHFFFAOYSA-N 440.525 0.146 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 538495613 RAAKLLMKGZJUAE-UHFFFAOYSA-N 442.541 0.784 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCOC)CC1 555243515 WPNXCJLBMPXXMM-KRWDZBQOSA-N 443.570 0.819 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)s2)c1=O 748791696 XKTDFSLPWYHSCZ-UHFFFAOYSA-N 447.563 0.760 30 10 ICEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)cn1 782729347 QKOZHMFEJVFWPY-UHFFFAOYSA-N 443.286 0.825 30 10 ICEE CC#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 810776665 CPNROKNAYBECPG-QMROVXIMSA-N 438.505 0.935 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C 1286368366 SGZJVZTVWSJCQO-UHFFFAOYSA-N 429.510 0.318 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286394159 VBLLUXDTJVQMMX-CBGDNZLLSA-N 449.577 0.578 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)C1 1286799744 ZMPXDIIUMUTTEC-MRXNPFEDSA-N 425.493 0.838 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300410224 MDQONVHXFJYQLL-HNNXBMFYSA-N 443.595 0.454 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300502186 RIFJBBQHUODHRL-OXQOHEQNSA-N 437.566 0.434 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1300578961 QWIZZTYDJWDSLY-BBTUJRGHSA-N 449.577 0.625 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOC2=O)CC1 1300707273 CUSBTCQICLHBJK-UHFFFAOYSA-N 426.525 0.737 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 1302923606 AFNUKAXRUHXLPH-LJQANCHMSA-N 432.546 0.080 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359049193 KEPMBYFMLJMOGB-SOUVJXGZSA-N 431.584 0.495 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1359049825 WSJWQNHEXLJILD-GUYCJALGSA-N 428.584 0.217 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)CC1 1455116253 WIECNVUGRUMYTJ-UHFFFAOYSA-N 426.539 0.530 30 10 ICEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)n1 1464710746 AZIZLLSBODHUCM-SNVBAGLBSA-N 443.580 0.654 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)CC1 1466078461 CWNVBHKYXZSVOI-UHFFFAOYSA-N 449.533 0.085 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507560348 GTDTUFNWSDYZMP-WMZOPIPTSA-N 427.553 0.822 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507658492 CAIDCRRLIORCLV-SQNIBIBYSA-N 435.550 0.356 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507718983 IZFVWCCIDLPSNW-NNMXDRDESA-N 433.553 0.614 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)CC1 1507738063 IYVAHYXIXOXBTO-INIZCTEOSA-N 441.536 0.241 30 10 ICEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1507847889 DEXBQFIADRLQOR-CQSZACIVSA-N 425.515 0.681 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)CCOC1 1509819514 UZAHHYHCQOQQFB-NNMXDRDESA-N 448.568 0.894 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCO[C@@](C)(C#N)C1 1538844244 LOVNOVHJJKDXCS-FQEVSTJZSA-N 436.534 0.776 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539025384 HJEIOJKTISLSMW-OAHLLOKOSA-N 437.504 0.122 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1539496184 DPYDGIZVIHBEDA-AWEZNQCLSA-N 442.611 0.607 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1540875787 XZLNGDGOLVWZOF-CQSZACIVSA-N 430.440 0.939 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1559974902 ZYDCJLCFQARSJE-GOSISDBHSA-N 432.565 0.418 30 10 ICEE C=CCOC[C@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1568154119 ADCAFOUZUYFVNG-AWEZNQCLSA-N 448.538 0.661 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C[C@@H](C)O3)C2)C1=O 1583344870 MPNOQUHIYNMMRV-UZUQRXQVSA-N 440.500 0.855 30 10 ICEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587799157 ZOKPNZAGPHAAHM-LJQANCHMSA-N 430.553 0.914 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1595550677 HCZQYQBVMISDAS-HNNXBMFYSA-N 442.542 0.224 30 10 ICEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1618108030 AOZYPCFFKKCYTA-KUOYXJDGSA-N 443.508 0.618 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1618846894 AZDCCEPHAIXFBE-RDJZCZTQSA-N 432.506 0.646 30 10 ICEE CN1CCC(CCO)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1632168993 ICKUTFHAQZUXKL-UHFFFAOYSA-N 434.562 0.922 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689980665 VXOHUBQDTMAQGJ-SJORKVTESA-N 440.566 0.934 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1690622218 KWWOLMPDALYBMD-SJORKVTESA-N 441.554 0.943 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705907630 SIQIQWFGEZCCDW-HXUWFJFHSA-N 428.497 0.473 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1706848028 BNQWOKUSCXKTPX-IHRRRGAJSA-N 432.572 0.594 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1722292559 ABEMTPPKBAUSRM-QMTMVMCOSA-N 437.522 0.570 30 10 ICEE COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1730702022 KLAPEAVMYSWNDW-OAHLLOKOSA-N 426.543 0.778 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1731002494 GHRQJPFRLXEDGC-QZTJIDSGSA-N 447.517 0.767 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1740761918 PXMZOSCNWSFYNW-QZWWFDLISA-N 437.566 0.876 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740959747 DNAWIDNOYZJILJ-YOEHRIQHSA-N 449.533 0.962 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740992482 QSMVILGIVYBZSX-XLIONFOSSA-N 439.582 0.684 30 10 ICEE CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1747417217 DRCOEXQUNUDTLT-RHSMWYFYSA-N 429.568 0.745 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760137123 OWVLHBGVXSAABX-BTYIYWSLSA-N 427.509 0.847 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190265 OVDDOCHZCHAZIU-OAHLLOKOSA-N 436.563 0.349 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1760190360 PKBZHRNKHWKTRJ-KRWDZBQOSA-N 440.533 0.560 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1767771263 GANXOGJANMAULW-QGZVFWFLSA-N 439.520 0.884 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CCO1 1771536804 CEZPOYNWMYDRJS-BRWVUGGUSA-N 439.538 0.495 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256064000 XZAICWTYRAGYLV-CHWSQXEVSA-N 434.302 0.798 30 10 ICEE C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267113688 XPZGZOPXLMWMPC-QWRGUYRKSA-N 445.251 0.643 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 105264623 ILDNSULCNJPAGL-UHFFFAOYSA-N 440.591 0.522 30 10 ICEE CC1(C)OB(c2cnc(N(C3CC3)C3CCN(C(=O)[C@H](O)CO)CC3)nc2)OC1(C)C 204875781 OUACFLOTZNUJSW-QGZVFWFLSA-N 432.330 0.089 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(CC(N)=O)c1=O 533120274 IAQWVLWIBGJRFU-UHFFFAOYSA-N 437.481 0.006 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](C)C1 568487273 ORJSEUAOZMPSLC-IAGOWNOFSA-N 442.586 0.344 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729208143 WMAVRSXHASAXEM-INIZCTEOSA-N 439.472 0.420 30 10 ICEE O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccc(F)cc1 733886097 GPTAATUXPXYVQB-QZQOTICOSA-N 429.452 0.825 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@H]1CCCO1 736587141 KVOQMZXZQDGWMG-CQSZACIVSA-N 430.555 0.967 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CC(C)C 781647972 BKHQUXCIUNLQMC-UHFFFAOYSA-N 444.557 0.852 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)c1 1171814856 OSYBRWYNYRXOPL-UHFFFAOYSA-N 425.474 0.246 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1 1177003932 RJGPPBGFCFCSBS-UHFFFAOYSA-N 433.467 0.576 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 1222224973 YIAFPMMSACHCNY-SJLPKXTDSA-N 439.607 0.926 30 10 ICEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286355951 GLOJAAQEGCDAKP-UHFFFAOYSA-N 440.552 0.726 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1286361283 NJAGOXFVOPRNLW-KRWDZBQOSA-N 446.577 0.838 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1286467718 UEHOHGRDLKBLFZ-MRXNPFEDSA-N 444.579 0.091 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC(=O)N1C 1291217514 CWUWQAHMNFIKCN-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1301519848 AGEIBTZMXKYTJG-GDBMZVCRSA-N 427.571 0.980 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)N(C)C)CC1 1359036812 JZAHURMDSAMWEF-UHFFFAOYSA-N 434.541 0.655 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359302552 LDBDCBGPMUTPEY-UHFFFAOYSA-N 440.552 0.213 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359390186 ANVBPMIZJULLTD-MXLIYFDZSA-N 443.508 0.367 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1464031990 KSDQOJVHDACMJB-XGWQRUHWSA-N 437.543 0.747 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1507564865 YLIGBOIOOHFOGP-HOTGVXAUSA-N 438.554 0.116 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1507715661 AYIAJFWUULXJHL-HXUWFJFHSA-N 448.549 0.188 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1508071485 JWAWXRJRKQHHAT-OAHLLOKOSA-N 436.480 0.661 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1539239334 KTVWGEBMBYQDPX-KRWDZBQOSA-N 434.566 0.754 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1540007193 ZDEPUSQMZVMMNG-HNNXBMFYSA-N 436.542 0.497 30 10 ICEE COc1ccc(CCC(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1542426885 CXRSDEHBNOCIFU-UHFFFAOYSA-N 439.472 0.523 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1588050642 UFBAZCYPEUOWER-GOSISDBHSA-N 442.549 0.970 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1595303208 NIUUKKJIDPMRFJ-KRWDZBQOSA-N 433.534 0.966 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1617710326 ZVUICQFRDYFDFR-ZDUSSCGKSA-N 425.902 0.614 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1628806958 WSMFWMBAEXZINC-UHFFFAOYSA-N 445.369 0.815 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)CC1 1632966370 NRHPPYOUDWMCAQ-UHFFFAOYSA-N 432.424 0.342 30 10 ICEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1648924231 QZJSUECXYRYRRY-UHFFFAOYSA-N 445.563 0.444 30 10 ICEE C#CCn1cc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 1663023762 NCDQLUXKQSRGHE-LJQANCHMSA-N 432.502 0.973 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)C2=O)cc1 1681300848 KNYQBUOKRNMAJA-NNMXDRDESA-N 427.505 0.579 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1682617330 CEPFOHSYZVTTNB-QZTJIDSGSA-N 429.502 0.750 30 10 ICEE C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C1CCOCC1 1682991925 KDIPUUKSYQRJIR-QGZVFWFLSA-N 435.502 0.558 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705559923 GZDKTVMCACDQRA-JKSUJKDBSA-N 446.533 0.835 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1705588701 IVFXRTUBLANTSQ-KRWDZBQOSA-N 436.582 0.462 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)N(C)C 1706621134 IDPLZKDGUSEUBW-JKSUJKDBSA-N 440.556 0.743 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1706678106 BULUXBMCNLTCMR-DYESRHJHSA-N 435.525 0.979 30 10 ICEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)on1 1707947358 APRXMMONVVRZEH-PBHICJAKSA-N 439.473 0.398 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1707951885 GEJGKKPBELHLAW-VBKZILBWSA-N 444.517 0.033 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1710328783 GQQXDDWJMBYRMM-ZZEZOPTASA-N 444.540 0.186 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722360554 AOMLSZSUROAFSR-GOSISDBHSA-N 440.529 0.970 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722362398 UABOOFMBOKUKLD-MRXNPFEDSA-N 426.506 0.567 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722372538 YSQMYKXNPQMFSG-HZPDHXFCSA-N 426.564 0.292 30 10 ICEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740784268 QDTUJXBHHYNFGU-UHFFFAOYSA-N 425.537 0.821 30 10 ICEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740873490 UHFMMLCVFBZTOW-UHFFFAOYSA-N 442.524 0.152 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748811776 LFTZSYFWEFUWFV-GOSISDBHSA-N 440.533 0.728 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749086424 KVVFPKOYXYBAEF-XHDPSFHLSA-N 447.359 0.656 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)C1 1749712664 KJLDPFQHJOCTOO-HZPDHXFCSA-N 425.555 0.734 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1760193899 VGXXKNZYVVXQQW-INIZCTEOSA-N 426.502 0.823 30 10 ICEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)N1CCSCC1 1762573055 VZQLVSIWGJKKIA-UHFFFAOYSA-N 449.562 0.500 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1766944558 JRMMGYPWALHAKI-IRXDYDNUSA-N 443.533 0.423 30 10 ICEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCOC1 1768213014 HENAQXMOJHIJQT-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1770051901 PZNBLYJAWHXWCC-ZBFHGGJFSA-N 427.527 0.556 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255595165 HEIGCFAZMLWYMG-OLZOCXBDSA-N 436.318 0.809 30 10 ICEE Cn1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623340 LVOJJSTXGCNMAM-UONOGXRCSA-N 436.318 0.741 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2255841287 ZQGBWUXHKCOZSA-QWHCGFSZSA-N 433.318 0.948 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 2267122548 MKMISPZFPHCSPN-QFIPXVFZSA-N 441.341 0.481 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 23264950 LYEBSGSGAUDYFO-ZDUSSCGKSA-N 441.454 0.467 30 10 ICEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482583792 YEAJNUCYQRQPOD-MRXNPFEDSA-N 430.534 0.761 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)(C(=O)OCC)CC1 508999375 PKMJENNGVISYHF-CQSZACIVSA-N 429.543 0.870 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 542002052 FDCVHAPGYRADQT-GFCCVEGCSA-N 446.510 0.864 30 10 ICEE COc1cc(C#N)ccc1OCC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615488981 OWIIORMXSUDCIP-UHFFFAOYSA-N 430.486 0.942 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 735112173 FWHJMMXYYPZHKS-IBGZPJMESA-N 446.577 0.504 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1 744633325 KHGDFADXKPBSAQ-AWEZNQCLSA-N 430.486 0.983 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)oc1Br 760540891 ZJXXGLRPNGADPH-VIFPVBQESA-N 440.293 0.640 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1OC 916201143 DTTZNQIPBROJNU-UHFFFAOYSA-N 426.498 0.286 30 10 ICEE Cc1ccc(-n2nc(CCCNC(=O)CN(C)S(=O)(=O)N(C)C)c(C#N)c2N)cc1 1148732264 RDDODDHODPEEQI-UHFFFAOYSA-N 433.538 0.422 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1286274829 PFTSFGZRVMPYJT-CVEARBPZSA-N 425.493 0.878 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1286380043 GEJRBSNZBGMJJX-QGZVFWFLSA-N 437.566 0.958 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286490254 JCJQTHNYHBHEJW-HNNXBMFYSA-N 443.533 0.136 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1286948758 WEATYODWOMHRLW-ZBBYCGENSA-N 445.524 0.344 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1300311827 WCXQWGOFEAEMGA-HOTGVXAUSA-N 440.570 0.231 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2ccnc2C)CC1 1300722516 KLBNATXMSIFDRJ-GOSISDBHSA-N 438.536 0.790 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCc2ccccc2COc2ccccc2)c1=O 1307372773 YUTLVTOXCMROCA-UHFFFAOYSA-N 434.452 0.769 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccn(-c3ccc(OC)cc3)n2)CC1 1311701262 OWHXZVXXJHVCMV-UHFFFAOYSA-N 432.506 0.176 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCCO1 1323037863 DHGXAURIAABUKB-KRWDZBQOSA-N 449.536 0.932 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1358979284 ILXJACFXVGQEAB-GOSISDBHSA-N 449.577 0.891 30 10 ICEE CNC(=O)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cc1ccc(C(F)(F)F)cc1 1469770577 NVVVNQQRXQGICU-LBPRGKRZSA-N 437.378 0.560 30 10 ICEE CCN(C(=O)NCC(=O)NCC#N)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1478602702 MNWLBQWBJRGMJW-HNNXBMFYSA-N 438.529 0.516 30 10 ICEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1499725622 WPUOZXLACGSMLD-XAEZUAJDSA-N 443.508 0.759 30 10 ICEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503305552 NPEKKABQXVYKHB-LVGHGAIUSA-N 436.582 0.947 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1507630668 FDAPIHQYHMBPOI-INIZCTEOSA-N 427.465 0.944 30 10 ICEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507845982 WIUMMUBURFCZLE-GOSISDBHSA-N 442.495 0.748 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508109322 QJRLQOGVEZWNNX-ROUUACIJSA-N 446.552 0.790 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)C1 1508124286 LLSSWZUKVSMLOW-CABCVRRESA-N 425.555 0.734 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 1517401299 ILNQNGVXKQIDIX-UZLBHIALSA-N 428.518 0.918 30 10 ICEE C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539087049 QSIAWNKVCOPZPA-JTSKRJEESA-N 444.536 0.269 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539723179 ZYACKZWUEGITIC-UHFFFAOYSA-N 447.584 0.753 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1539750507 QHHFZWGFEGNMKX-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1554303313 GJCIBYPWVZTCNH-UHFFFAOYSA-N 449.606 0.851 30 10 ICEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NCC#CCO)c1=O 1556370245 LEWSHYFYQLXGDJ-UHFFFAOYSA-N 428.283 0.861 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC#CCO)CC2)cc1 1556370521 YQAAWOJARCEKAU-UHFFFAOYSA-N 435.546 0.535 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1584482228 KNOSTMKIYUOKGO-IBGZPJMESA-N 431.518 0.884 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595785026 PSXBVAFQKSEGHN-MRXNPFEDSA-N 439.563 0.954 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1613558548 FYAVPQAPTRREOK-OAQYLSRUSA-N 448.547 0.803 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C#N)nc(C)c3C)CC2)cc1OC 1614768988 UOSRTPRZBHWQAQ-UHFFFAOYSA-N 447.517 0.922 30 10 ICEE C#CC1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1627357239 JNQVVXGGTZMAOQ-INIZCTEOSA-N 435.502 0.242 30 10 ICEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 1639821709 KRONJBLSDORSAQ-ZCLUNYJNSA-N 447.513 0.545 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 1644282115 VAKAUFGLDKMVOO-ZDUSSCGKSA-N 430.324 0.828 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)CC1 1685756534 MHXMOZRVUUDPAL-XLIONFOSSA-N 434.518 0.464 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1689867219 QJGGCUAAHJXJRB-PMPSAXMXSA-N 426.539 0.400 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689985909 FENRBMCCJOZFNT-MRXNPFEDSA-N 432.550 0.779 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1705597783 QIJLZAPRKYJLRV-GOSISDBHSA-N 429.502 0.803 30 10 ICEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705776763 OQDIBZRNIDCLEB-WOJBJXKFSA-N 440.566 0.882 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CCO1 1708209658 DCSFNPHONCHHLA-CZUORRHYSA-N 436.494 0.349 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1722376679 XSQULKBVHYVDHY-NRFANRHFSA-N 442.545 0.771 30 10 ICEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722625296 QPHQTFDYAFFDBD-UHFFFAOYSA-N 443.552 0.847 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740875523 FDDMWIULAVTTNC-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740963402 JTBSKZRJTAEMNW-IIBYNOLFSA-N 432.525 0.477 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740991212 QTSJYPNKZGPRPF-ZNMIVQPWSA-N 427.527 0.070 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 1747978428 XOFRLISFBBKHOI-INIZCTEOSA-N 434.522 0.751 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748817403 KHHUTTLFSFAHTC-IAGOWNOFSA-N 437.566 0.571 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1)C1CC1 1749508242 LUSOQFBUSGVKHV-CYBMUJFWSA-N 431.584 0.868 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1760174773 IFBXZYMEEAPVOV-SFHVURJKSA-N 447.517 0.500 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1760337837 WPEHSRNNJBNJKL-QAPCUYQASA-N 445.611 0.881 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1761465570 FHCQPLRETXVNRQ-AUSJPIAWSA-N 448.549 0.936 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1769135379 AJNNWLRBWRVHKN-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1771359881 PAYXEJCGCULCHV-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CCO1 1771536807 CEZPOYNWMYDRJS-YESZJQIVSA-N 439.538 0.495 30 10 ICEE COCCn1c(C(=O)NCC#CCN2CCCCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1889238791 PKZHIUSDTPHPQW-UHFFFAOYSA-N 429.521 0.294 30 10 ICEE C=CCO[C@@H]1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1N 2060432110 PIEYLLGBVOYACO-WMESBKTJSA-N 427.306 0.248 30 10 ICEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415620 YRYRKXWAXKVEIS-GMSGAONNSA-N 425.721 0.813 30 10 ICEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 463641367 AQZHMWBEWXJTAQ-DBXHJTGRSA-N 440.481 0.561 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)c1C#N 472273141 GHLVHXMKCDBCEY-SOLBZPMBSA-N 431.566 0.975 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)c1 538497965 ZNKGEJFICIJFKP-HNNXBMFYSA-N 442.541 0.686 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 543361769 UCYSPXHVYFCCNR-RDTXWAMCSA-N 427.486 0.932 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CCN1CCOCC1 618638559 HTDOFOAXUBCYOY-UHFFFAOYSA-N 449.536 0.039 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 670197238 HCVUPQBFXDGWNS-STQMWFEESA-N 439.460 0.955 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765146061 VPPSRPVKHRJOIJ-UHFFFAOYSA-N 432.465 0.399 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccccc1C 814249147 IMLHAYXPDJSZNK-UHFFFAOYSA-N 429.452 0.918 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)cc2C1=O 876538949 ZHTIYZPPQNHLQN-YOEHRIQHSA-N 448.497 0.953 30 10 ICEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1176070911 SYYYMZCUQXTLMK-KRWDZBQOSA-N 435.546 0.882 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1193393853 BQISIMYEUJYFIU-UHFFFAOYSA-N 434.559 0.787 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1286376016 CINAKODMPMJDCP-QGZVFWFLSA-N 448.549 0.913 30 10 ICEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286447809 NKRKQUUNLJPYBG-XLIONFOSSA-N 432.502 0.800 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300479354 MHQMSAPQSFNTSF-OAHLLOKOSA-N 444.517 0.467 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300733031 HAUCOPUBGALWNM-SOUVJXGZSA-N 440.595 0.312 30 10 ICEE C#CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1300776214 GPVSPKCQSPSCNK-QAPCUYQASA-N 428.580 0.920 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301577121 FJBPJPIOFHPELO-INIZCTEOSA-N 434.522 0.282 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1301587627 WEADOKVPJKEZQM-HNNXBMFYSA-N 438.579 0.949 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1=O 1301891958 SAHPOJFXRBXPQS-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1302093822 NVEXGWITCNWAAY-VWFIUDSGSA-N 434.541 0.719 30 10 ICEE C[C@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)n1cnc(C#N)n1 1302137664 PPOMLWLPZGCEAK-SNVBAGLBSA-N 438.233 0.454 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1358963990 RAMLSZJVYSGLTM-DLBZAZTESA-N 431.518 0.861 30 10 ICEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1360563235 GSDFAWCVZLVOLA-RVKKMQEKSA-N 426.518 0.343 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)CC1 1471450907 LMGGXAHUKVQNPO-QGZVFWFLSA-N 428.461 0.144 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1503832958 AMZSJICKVFXRAZ-LSDHHAIUSA-N 432.462 0.480 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N(C)C)CC1 1507723968 BGVCIUCKLQJLRQ-UHFFFAOYSA-N 430.578 0.824 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507738075 JIOZASSPAVGKHD-CVEARBPZSA-N 441.536 0.110 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508094426 NKXAOBAODSEAMJ-OAHLLOKOSA-N 441.492 0.382 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508139620 HYUZUFIPZULNGE-QGZVFWFLSA-N 447.565 0.637 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1509822923 IVDXKOMWDBTFEZ-RTBURBONSA-N 440.570 0.998 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1540892783 RIMFCJWFPKGQKX-NNFUDEMPSA-N 426.539 0.501 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1554122078 WTKYOVZQNIYYLR-ORIGZDJFSA-N 445.549 0.869 30 10 ICEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cn1 1561733731 XHURHEWBKKFEOB-UHFFFAOYSA-N 436.437 0.835 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1587909990 ZDKUNFLOCGPTAY-OAHLLOKOSA-N 432.550 0.902 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1588083903 LZVVCWPFSJVVDQ-SFHVURJKSA-N 448.593 0.606 30 10 ICEE C#CC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1603204840 KSXXNPSQWLZGEC-UHFFFAOYSA-N 439.921 0.160 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1611320856 AKBOGLXPNYCXLM-KBPBESRZSA-N 444.435 0.706 30 10 ICEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624550814 GRGWDNTTZNLLIK-AWEZNQCLSA-N 427.548 0.931 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)s1 1628743043 ZVGMNQZKFCDDTE-APPDUMDISA-N 426.520 0.249 30 10 ICEE CC(C)(C)OC(=O)N(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C[C@@H]1CCCO1 1639175639 VGYWFNDMNYSMLN-DOXZYTNZSA-N 427.523 0.799 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1 1650848943 OMNRCNJTEQDNIT-UHFFFAOYSA-N 433.456 0.393 30 10 ICEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1683045879 IHVXSQIELHUCSN-MAUKXSAKSA-N 440.547 0.453 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1689852978 NLQJLYOHUMVZNA-JKSUJKDBSA-N 425.555 0.886 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCOCC2)CC1 1690113940 YMBSCJISZAXQKG-QFIPXVFZSA-N 432.569 0.408 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2(O)CCOCC2)CC1 1690143744 AJMZEVAOJFMYFB-UHFFFAOYSA-N 439.520 0.633 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705620853 JBPMPRFSPPXXKY-OAHLLOKOSA-N 446.474 0.765 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1705621487 FDQJKQYRWIUNRB-NVXWUHKLSA-N 440.570 0.233 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705822085 SCKMERJDXWOIQN-OAHLLOKOSA-N 427.513 0.899 30 10 ICEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1712670489 FNHTZENJDACEFP-YLJYHZDGSA-N 447.517 0.503 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1723772492 LYVHVZLYZQQMLB-CQSZACIVSA-N 429.481 0.993 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1740708937 GKMYRRGYTXBGAH-GOEBONIOSA-N 442.611 0.607 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCCOC)C1 1740959317 RSXURTNQICNMMI-AWEZNQCLSA-N 432.481 0.550 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749037298 DHQIEORKONEMFQ-HOTGVXAUSA-N 437.591 0.748 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1749230594 ZUKCGVDAUHAFSG-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1749712937 NHRQHQFXIYLIKU-JJXSEGSLSA-N 429.518 0.923 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1760248710 CUDDFWYHESZOGC-KNQAVFIVSA-N 427.505 0.943 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCOC2=O)CC1 1760270487 YCXWCLUNCNJMFM-QGZVFWFLSA-N 430.509 0.590 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)CC)CC1 1760402611 OHTPPJVJCAINGE-MRXNPFEDSA-N 440.570 0.492 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1760505024 INEAVMWXSSMQKV-MRXNPFEDSA-N 446.595 0.644 30 10 ICEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)Cc2cccnc2Cl)C1=O 1857144846 XTDDVDNRUMEOLC-INIZCTEOSA-N 425.880 0.887 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620841 ZWPHKIJAVYMOAW-UONOGXRCSA-N 436.318 0.809 30 10 ICEE Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3)ccc12 150063997 YZJVBUAIFJVLAS-CVEARBPZSA-N 428.493 0.330 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 484540403 HDNPESGSXFOHMN-INIZCTEOSA-N 442.566 0.562 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@@H]1CCCO1 520867143 XPAFCNKPOULHBI-SFHVURJKSA-N 441.553 0.971 30 10 ICEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 559023852 WFHSFLRLUGVGCP-UHFFFAOYSA-N 425.537 0.821 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 774162003 CKHYSEDNYCZPAS-AWEZNQCLSA-N 433.939 0.450 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1 783059113 OCOICXGSBZNBNM-WOQXAFNFSA-N 434.518 0.952 30 10 ICEE C#CCn1ccc(CN(CCOC)c2ncc(Br)cc2S(N)(=O)=O)n1 788558595 ISDZIBXSBLYOOJ-UHFFFAOYSA-N 428.312 0.974 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 914605162 YFOQTRFTLSHKCP-UHFFFAOYSA-N 438.525 0.670 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c1 1124604792 FEOBZRJZAMJMJH-QGZVFWFLSA-N 427.504 0.688 30 10 ICEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286353238 SRLYBDUAOXZUNK-UHFFFAOYSA-N 428.541 0.747 30 10 ICEE C#CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286359415 DFEZQDSMZSBLJV-QFIPXVFZSA-N 446.552 0.517 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286387238 OWIQOEXMOPRFLO-WQIZZMQYSA-N 433.559 0.878 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286785597 GVSWLPZYIBAVAB-RXSFTSLZSA-N 445.524 0.635 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488968 YCQOKSFEPGPQKN-INIZCTEOSA-N 433.534 0.832 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@H](C)CC 1300538014 MTAAGRPEHOIMPW-SQNIBIBYSA-N 437.566 0.745 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCS(C)(=O)=O)CC1 1300703570 LAGRJHAUOXMDLR-UHFFFAOYSA-N 441.561 0.707 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 1309802545 UTLNDHHOCCBPOU-UHFFFAOYSA-N 441.453 0.500 30 10 ICEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOC1 1315268274 BZWJHPDSSGFDOS-UGKGYDQZSA-N 440.504 0.964 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CCO1 1316540615 MVKHBAYJFGSKII-JKSUJKDBSA-N 431.522 0.806 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359306237 ZPXSURYFSNMUTJ-IIBYNOLFSA-N 429.525 0.960 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 1478071054 YUEACHNWUHADAV-CQSZACIVSA-N 448.505 0.601 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1507615795 BHGLCSHNOILXGI-QGZVFWFLSA-N 434.522 0.596 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1539230301 FYDRYNPLVIMFEZ-UHFFFAOYSA-N 440.529 0.477 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1539370289 UFGCISPCOAGEHH-MRXNPFEDSA-N 440.570 0.233 30 10 ICEE C#CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1543728911 RFXSDOMJHYXEIT-UHFFFAOYSA-N 436.511 0.697 30 10 ICEE C#C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1556795480 ZWKSFFBJMYPXBM-GOSISDBHSA-N 435.546 0.533 30 10 ICEE C=CCn1cc(CNC(=O)c2cc(I)ccc2-n2cnnn2)nn1 1584319196 NPZHDIAJWGOSHM-UHFFFAOYSA-N 436.217 0.974 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1585295808 GUZSSVVEPFSDPM-MXLIYFDZSA-N 428.445 0.667 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CC1 1588805879 CRWGJNUSHIAEOH-GOSISDBHSA-N 427.553 0.823 30 10 ICEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCCCc2ccccc2)c1=O 1614781098 NMFYICILNMGORC-UHFFFAOYSA-N 426.473 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 1622498757 UPESRVGXTMGKSW-UHFFFAOYSA-N 442.346 0.776 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c1 1622661840 QNYXYBCDJYZNOU-INIZCTEOSA-N 432.506 0.164 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 1642589775 WYEVAFPIZPUMHO-IBGZPJMESA-N 430.571 0.224 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCO1 1648463278 OFUGIMOXUCDZIL-GOSISDBHSA-N 428.461 0.412 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 1650846469 YUNLZVQFRRTQPX-HNNXBMFYSA-N 428.308 0.364 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 1653696556 HAMHCTKQCHEZRG-UHFFFAOYSA-N 434.518 0.514 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1 1663863771 JEZCHTGQLAEGMB-UHFFFAOYSA-N 442.382 0.593 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1689852528 GYNSFRSPWABQTD-OLZOCXBDSA-N 439.567 0.531 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494749 YZDZOGGXGUMBLY-XYJFISCASA-N 428.468 0.994 30 10 ICEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1705563199 SKPPXAAWWIONFY-KRWDZBQOSA-N 440.533 0.706 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722360348 GLJCXWWCYVXCNP-QRWLVFNGSA-N 430.534 0.389 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1740623576 WXMXEULIZGDYBM-UHHPSXQGSA-N 444.517 0.309 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740888489 TWWDXNPRLYKTRM-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740985981 OSHIRNCUZFSMHN-HNNXBMFYSA-N 438.554 0.207 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1748790928 OSQXJICBOMDGKD-GOSISDBHSA-N 449.533 0.746 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCOCC1 1749489503 WTUYOUCTCJJFQB-IRXDYDNUSA-N 442.586 0.202 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1760336879 KRFNSZUXTVCGME-OAHLLOKOSA-N 428.559 0.492 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771535824 AHZONOPTLUQOOF-YJBOKZPZSA-N 437.909 0.877 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2255699897 URZUZOBTWMYLAC-GFCCVEGCSA-N 437.306 0.785 30 10 ICEE O=C(O)C[C@@H]1OCC=C2CN3CC[C@@]45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6N[C@H]4[C@@H]1[C@@H]2C[C@@H]35 229756376 IVEMPCACOMNRGI-UCGNWBNLSA-N 427.413 0.035 30 10 ICEE Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447783518 RLLHWHPAAQNFIM-UHFFFAOYSA-N 437.550 0.711 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 505700420 PGBWBPBDCNIFNI-HNNXBMFYSA-N 429.546 0.550 30 10 ICEE O=C(NCCCN1CCCS1(=O)=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 606066534 NAKWJZFMCVQUHC-UHFFFAOYSA-N 426.498 0.962 30 10 ICEE CCCN(CCC)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 752979779 FLNQJEVTCYKSRJ-UHFFFAOYSA-N 429.568 0.694 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCOC 782918900 ILKLEHNOIJCCLN-UHFFFAOYSA-N 438.509 0.370 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286392435 MCXWPWSQQAHAQC-SFHVURJKSA-N 425.518 0.672 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1286431778 RLCXPGMPBLVZDT-IBGZPJMESA-N 446.577 0.336 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286788750 FGKHOQMMLRQVDI-UHFFFAOYSA-N 447.565 0.474 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1300312198 YBKMCCXJSTZREM-CHWSQXEVSA-N 439.460 0.995 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1301477980 GGUALIKGTODAGV-UHFFFAOYSA-N 440.570 0.512 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1303435900 HSZRDCZRBZJOHT-UHFFFAOYSA-N 433.538 0.669 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315011743 XAVRFCZJHXDIMS-HNOLQLOCSA-N 443.508 0.618 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(=O)n(CCCOC)n2)c1 1357767346 PYYUVGNZPPAVDR-UHFFFAOYSA-N 438.484 0.767 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 1358890319 NTYGRUKAOIQBHW-YESZJQIVSA-N 441.554 0.265 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358964710 FMRVBLHXLHOQIE-IBGZPJMESA-N 439.545 0.981 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358965650 YTVINFAGHLJTKD-RBUKOAKNSA-N 445.545 0.696 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358966788 WUZRJQAOGRKHRN-INIZCTEOSA-N 435.550 0.332 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1359089326 GQXGMLOSJIHDAL-JKSUJKDBSA-N 440.570 0.479 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359203032 GZCIOBTWKGOARY-IXDOHACOSA-N 443.570 0.817 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1360189705 XFILVGJPVZBUKE-IAOFPLEJSA-N 431.497 0.556 30 10 ICEE Cc1ccc(C(=O)N2CCN(CCc3cnccn3)CC2)cc1S(=O)(=O)NCC#N 1455076016 FEAWZBLIDSTFFB-UHFFFAOYSA-N 428.518 0.587 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 1455115356 OJXQJGUWHDGTON-UHFFFAOYSA-N 446.554 0.904 30 10 ICEE C#CC1CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 1478307156 WTPDGCAKQLRZIR-UHFFFAOYSA-N 443.547 0.846 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633687 GIGQENQYTPJAOK-QGZVFWFLSA-N 430.534 0.369 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507978446 MSWFPCMWENJVKU-HNNXBMFYSA-N 436.476 0.802 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1517624179 CYXKDMIINLDXPL-OAHLLOKOSA-N 427.490 0.771 30 10 ICEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1540929590 KOSOZUZHAZRIPB-UHFFFAOYSA-N 440.518 0.837 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c1 1542111615 MUFKRRLJJPMDCD-ACJLOTCBSA-N 435.527 0.854 30 10 ICEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1554364255 IAHOPHVVYMJDEQ-QGZVFWFLSA-N 430.557 0.155 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555276798 RFUHJTCQVNKSTQ-SQWLQELKSA-N 426.518 0.341 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1587562521 QHGXPEHXTRLYDD-CABCVRRESA-N 428.522 0.975 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1587909098 CRXHMPMHZCGMRV-CQSZACIVSA-N 425.536 0.432 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1588646474 KRKWGVGPMXEVOZ-YWZLYKJASA-N 435.550 0.277 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1588647545 WURMXGNZWQKAPU-HZPDHXFCSA-N 443.595 0.593 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1595602697 OSXLSJXIMCRIRU-YWZLYKJASA-N 434.497 0.262 30 10 ICEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H]2CCN(O)C2=O)C1=O 1628370028 IPVZPVAKMCCEBL-MEDUHNTESA-N 425.239 0.322 30 10 ICEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1654466024 LCVCPDHOJKEXGT-OAQYLSRUSA-N 427.530 0.945 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC2CC2)CC1 1690128390 CLQNQZNQBKIHMC-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1705477079 IWFUCJZDTNLTBX-HUUCEWRRSA-N 439.563 0.820 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CC2)CC1 1705651441 WUZUZXMSJOKAQX-HKBQPEDESA-N 446.577 0.277 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1712711702 VLCUVYBIVYYSHH-UHFFFAOYSA-N 441.521 0.416 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1722390988 VUWGRBPHHVDZOM-WMZOPIPTSA-N 434.566 0.610 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740625971 UPGULVMYHDYGRL-GHTZIAJQSA-N 446.577 0.927 30 10 ICEE CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1748298207 CZQPWBVEVBJJAZ-GFCCVEGCSA-N 425.540 0.557 30 10 ICEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748770742 DNLGDZUSZDVOIZ-OGLOHFSISA-N 428.493 0.915 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1748838882 HMLGUCXQZVUWNH-UHFFFAOYSA-N 429.484 0.620 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1748987384 WFEJFGZRCNDSFL-HXUWFJFHSA-N 426.569 0.671 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1760187419 DCAUQPASHZJXKZ-ZWKOTPCHSA-N 446.577 0.747 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1760249275 IZEJABLCJHOLBP-INIZCTEOSA-N 443.570 0.512 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760379519 WNVDAILTNQJFHC-MRXNPFEDSA-N 435.916 0.920 30 10 ICEE CCc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764900129 LYYHTHOHLLGQFS-VHEBQXMUSA-N 442.524 0.705 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2255606624 TWKXBLSKFFEQJZ-VXGBXAGGSA-N 437.306 0.136 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255651973 NRXIBVBTEYMFEX-KGLIPLIRSA-N 434.302 0.798 30 10 ICEE CNc1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O 306122160 QIFALPZRQOUILR-TYBGQUQKSA-N 443.456 0.162 30 10 ICEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 446532672 USHBSWHJJNPNGX-UHFFFAOYSA-N 427.505 0.999 30 10 ICEE Cn1cc(/C=C/C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)n(C)c1=O 749375292 ORSIPOLOOCEAFR-CDVVCGDMSA-N 425.470 0.509 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)c1=O 758776825 MHXVDMSZIQDTLW-GJZGRUSLSA-N 431.497 0.371 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C#Cc3ccc4c(c3)OCO4)ncnc1-2 762201029 PBJKUANRUHKPCX-UHFFFAOYSA-N 443.261 0.808 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cn1 794580553 XIUUHEPTGCLZMJ-DLBZAZTESA-N 440.525 0.885 30 10 ICEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 795465157 JFHJINKZSMITJN-OCCSQVGLSA-N 431.467 0.114 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 917767971 INHUGTPWAFSFHE-ZDUSSCGKSA-N 434.543 0.119 30 10 ICEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1128015591 INGNMGCTHKZEIS-QGZVFWFLSA-N 427.505 0.979 30 10 ICEE COc1cc(CN2CC[C@@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1137328320 ADVFEAHGKTUEEO-MRXNPFEDSA-N 427.461 0.619 30 10 ICEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)C1=O 1139683897 LFZOTPFXXGEDSL-SFHVURJKSA-N 440.526 0.833 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1S(C)(=O)=O 1196114684 YVYGNYMXMPCURF-CVEARBPZSA-N 425.580 0.423 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1286772883 FTYHEZJAHGAQPT-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300498518 KXGDXWRHOYWWGC-WIYYLYMNSA-N 445.545 0.696 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301509225 CULAHFPHYOTCBO-OAQYLSRUSA-N 431.541 0.004 30 10 ICEE CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1302468573 FBOSHVQRJNYBOT-MRXNPFEDSA-N 426.499 0.756 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2OCc2ccncc2)CC1 1302923949 GLLBIJNZPNKBNR-UHFFFAOYSA-N 428.514 0.815 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2COCCO2)cc1 1302999726 CVRGFUSLEJEREC-QGZVFWFLSA-N 433.490 0.379 30 10 ICEE CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1307681879 BCBMPNAJLDAAJQ-CABCVRRESA-N 426.477 0.959 30 10 ICEE COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1315671473 GHCPYAHXBZXLHX-WMLDXEAASA-N 449.537 0.659 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359299846 OHPIPYHOXMNBOZ-CVEARBPZSA-N 444.540 0.114 30 10 ICEE O=C1CC(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC(=O)N1 1468533960 RCZVJMWBEJLUCR-UHFFFAOYSA-N 426.454 0.884 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC1 1473873846 XLVMGZVTDDAMAC-ADXZGYQBSA-N 426.631 0.965 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2C)CC1 1507734137 HKTYFMZHTFWADQ-UHFFFAOYSA-N 449.475 0.996 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccnn2)CC1 1508095120 LMRVUVFARGDHKN-UHFFFAOYSA-N 439.524 0.574 30 10 ICEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1518833407 MMQAJIHHKMEEES-UHFFFAOYSA-N 445.505 0.985 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1539415233 BODRCTOSYHZSTB-CQSZACIVSA-N 426.930 0.816 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)N2CCOCC2)CC1 1539484370 MTAILWVXGLSNOJ-UHFFFAOYSA-N 428.537 0.445 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861331 LUYYOSBJECHSKB-NRFANRHFSA-N 432.525 0.432 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540901882 SKPJPJWVFBGNFM-QGZVFWFLSA-N 430.538 0.456 30 10 ICEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)n(C)n1 1542999442 AUJOCIZCLKELQA-HOCLYGCPSA-N 436.542 0.440 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1564416899 GWSMVHRKGWHCFP-KGLIPLIRSA-N 441.472 0.845 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588046094 XACPLIQCGKLRQV-RDJZCZTQSA-N 444.561 0.825 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588089397 KSUFPGCDCBAXQY-PXNSSMCTSA-N 435.550 0.285 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)C 1589493096 FURFSAUSCHJIHQ-ZOBUZTSGSA-N 442.586 0.830 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnnn1C 1619899753 HAYXKRKXIHCHSZ-GOSISDBHSA-N 435.492 0.931 30 10 ICEE COCCNC(=O)CSc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655370 DZRMFNWVZCDWMC-LIRRHRJNSA-N 437.543 0.552 30 10 ICEE N#Cc1cn(CCC(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)c(=O)nc1O 1634723054 BAJXSMAGGSPOTL-UHFFFAOYSA-N 444.536 0.441 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)c1 1639556737 WFXGQXWOYIKBLL-IBGZPJMESA-N 425.464 0.964 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc1 1673397788 ABJYOTHUGXXKBL-CQSZACIVSA-N 430.552 0.896 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1685264819 RSVRVZQXOCGQNC-MRXNPFEDSA-N 435.506 0.708 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689848853 CLIJKUXIZNLLRV-GOEBONIOSA-N 430.534 0.986 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1690155814 OUYIVKCFLFDNFM-CQSZACIVSA-N 440.595 0.361 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690678397 VESZJROIIFJBKU-DYESRHJHSA-N 434.541 0.142 30 10 ICEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705533755 QWWNISMJHIMDPV-SFHVURJKSA-N 444.536 0.441 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705651763 HDNPHEQAJHYBJG-PMPSAXMXSA-N 426.612 0.928 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705928338 PBWXAMBUTVLRGF-DLBZAZTESA-N 437.566 0.978 30 10 ICEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1712670488 FNHTZENJDACEFP-XLIONFOSSA-N 447.517 0.503 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)CC1 1722432685 YVGDXBCLEYLDNH-HNNXBMFYSA-N 446.533 0.421 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722739117 AFGJIGFGISDBOC-CVEARBPZSA-N 434.566 0.976 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1740961955 NQVBHUGLZLWKNK-UHFFFAOYSA-N 438.492 0.707 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964395 BLVAJGVVKVAHJG-DNVCBOLYSA-N 441.554 0.244 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1741131201 DVPTYTOSWNCQRQ-YOEHRIQHSA-N 425.493 0.641 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748818295 YUPYTBVRZBEFQU-INIZCTEOSA-N 437.566 0.352 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1748842142 DPWWCXACAVBATH-MWTRTKDXSA-N 432.484 0.805 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cnn(C)n2)CC1 1748977780 CTZHNMLJCHBVIP-NRFANRHFSA-N 428.541 0.447 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1760219686 KXDDLZZSFSGVDO-KRWDZBQOSA-N 448.574 0.887 30 10 ICEE O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NCC#CCN2CCc3ccccc3C2)N1 1851131949 MONZGCDWTIKNSP-RBUKOAKNSA-N 426.542 0.344 30 10 ICEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674618 LQZOPAADOZQZRJ-NXEZZACHSA-N 428.320 0.472 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 605417410 WWPSCTWYHYYDTD-UHFFFAOYSA-N 439.513 0.817 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NC4CCN(CC#N)CC4)CC3)C2=O)n(C)n1 611562296 BOCFIMRFMIPBFC-IBGZPJMESA-N 442.568 0.539 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@H](C)C1 784907008 LWOGFOKBNQMJQR-FSXJBPCSSA-N 449.533 0.517 30 10 ICEE C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O 799176521 WVUJQZUWOGJACJ-YZILGEIOSA-N 446.573 0.850 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 917865371 BWCNBPUJWGZSFP-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116938287 ODGLNXBHIBNGOZ-OKZBNKHCSA-N 437.562 0.084 30 10 ICEE C#CCn1cc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)cn1 1192327347 BTLLILPAMQTWBV-MOPGFXCFSA-N 432.502 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)CC1 1222006878 WOTGTSOUURBCBN-UHFFFAOYSA-N 433.534 0.104 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286391240 DCWKTWLSGXNGNS-HNNXBMFYSA-N 445.611 0.433 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286556428 PEHXDCRQYGXOKZ-FDQIELQPSA-N 433.509 0.571 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)C1=O 1300661233 KXYIAYTWMBEKRI-UHFFFAOYSA-N 443.460 0.130 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1301296068 DYNMOOQTFFYSEV-INIZCTEOSA-N 436.538 0.289 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)CCOC1 1303476975 JYNIHQCABZWYDE-YJBOKZPZSA-N 428.559 0.948 30 10 ICEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1315801182 YUMCYDVOTPQONR-FGTMMUONSA-N 429.477 0.838 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358911611 ZELLEMWSSJVKRV-SFHVURJKSA-N 427.553 0.777 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512497919 ACNIBSINDKKDIK-FZFLATATSA-N 443.508 0.542 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CCO1 1517535886 HTYUBHBKOHQXIA-CEXWTWQISA-N 440.504 0.819 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(CO)nn1 1539291747 XGCMOFAQGFNHHM-UHFFFAOYSA-N 433.476 0.562 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1540903781 HTBSBXVTXKIBFU-ZDUSSCGKSA-N 441.535 0.332 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)C1=O 1583699166 IPMDEVASKHSXRL-UHFFFAOYSA-N 436.387 0.879 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595544277 GONAGYCWZCZKTI-OALUTQOASA-N 431.585 0.689 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@]2(CCOC2)C1 1595812166 OQZTWEMKVJMGDK-FQEVSTJZSA-N 433.534 0.860 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616212829 HKPHBXGCTOHLPZ-AGRHKRQWSA-N 435.460 0.360 30 10 ICEE CN1C[C@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)CCN2C1=O 1618461972 ITIONZBGQVGHHD-VUAZUDAXSA-N 442.524 0.658 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1632966800 YYTATJPYCOJLJW-IJDCCNJMSA-N 440.566 0.802 30 10 ICEE C[C@H](CC(=O)NCc1cc(=O)n2ccccc2n1)/N=C1/NS(=O)(=O)c2ccccc21 1640632475 WOJYWYQZZSIVMI-CYBMUJFWSA-N 425.470 0.828 30 10 ICEE Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@H]2CCN(O)C2=O)c(=O)n(-c2ccccc2)n1C 1641378824 HDFCBRDKSGXMJO-ZFWWWQNUSA-N 447.517 0.651 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(I)cc2O)CC1 1644284692 CJHZQVPCGXFXGW-UHFFFAOYSA-N 449.270 0.222 30 10 ICEE CC(C)(C)OC(=O)NCCN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)CO 1659117326 VOGJQOPCUROMPD-MRXNPFEDSA-N 431.489 0.466 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1690668877 MPCUEYHTOLCTSU-CQSZACIVSA-N 433.538 0.766 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1690669957 TWVQIQYQDPPJEQ-INIZCTEOSA-N 439.520 0.867 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1694271443 HJPAWNDYBFOPTG-AHIWAGSCSA-N 429.522 0.635 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705474613 DCQBWFULNPEZPS-HNNXBMFYSA-N 437.504 0.235 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568413 NEFYYXDIBMSKMX-INIZCTEOSA-N 437.566 0.842 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705903435 WEFHHLFBJHAAIM-CVEARBPZSA-N 437.508 0.461 30 10 ICEE CC(C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706307626 UYNVUEYWIVMPLY-HFUDNHEJSA-N 436.538 0.941 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1711251310 DSZHWUPTQYZDMC-HZPDHXFCSA-N 436.467 0.763 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1722451510 KGBDRZNWBVNCSR-KBPBESRZSA-N 428.584 0.217 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722726359 CULFWTJSOWLDMY-QLFBSQMISA-N 436.538 0.077 30 10 ICEE Cc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1724683669 LLOGWRXZLCGLRA-MRCUWXFGSA-N 435.488 0.640 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1731181690 IZQCUXLCZUWUPV-IAGOWNOFSA-N 425.511 0.922 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740703506 VLJYLXXGBKPBJE-LJQANCHMSA-N 429.569 0.495 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)CC1 1740706645 YWOVIIYOZDIWHK-MRXNPFEDSA-N 444.927 0.745 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1741104024 FJDQCHGYBSQSMV-HXUWFJFHSA-N 449.519 0.919 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748667152 OCNMKGCGHNSRHY-CABCVRRESA-N 427.509 0.942 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC 1748968096 ABCXIXARFVBHID-HZPDHXFCSA-N 427.571 0.832 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1749659553 GYIXIJQMQCEMDO-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC 1760240675 YOIHKXBHYVAAFF-CQSZACIVSA-N 436.513 0.803 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613910 XZRADQRNPJHWPN-SZMVWBNQSA-N 429.473 0.480 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1CCN1C(=O)CSC1=O 1870570475 UKYIRCDNPUDYKD-UHFFFAOYSA-N 434.518 0.843 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 1899522842 SCOUEELXNKQABV-ZDUSSCGKSA-N 430.332 0.675 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255601050 DJOXNOUWWQSGQJ-FKIZINRSSA-N 433.318 0.854 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286038502 JXGMKBBTKNKUTF-DLBZAZTESA-N 436.490 0.368 30 10 ICEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 111046652 YUKDVVOKUJFLOH-INIZCTEOSA-N 427.548 0.306 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](NC(N)=O)C3)nnc12 477467671 XWWXFESRQKYUTE-LBPRGKRZSA-N 427.490 0.592 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCOC)C1 508827591 MQVLFCUDCGPDOT-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508919143 POLNEXGBNFQWSW-HOTGVXAUSA-N 427.527 0.183 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCO2)CC1 549625781 LAYFHDSOMKWMNG-GOSISDBHSA-N 445.568 0.507 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2)c1=O 590902207 CADXSJINEIYGRC-MRXNPFEDSA-N 429.542 0.991 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 728072550 DITQAXXQETWKLG-KRWDZBQOSA-N 449.577 0.564 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 743728060 GKKZZPZWSSWTKD-CYBMUJFWSA-N 434.543 0.119 30 10 ICEE C#CCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)[C@@H]1CCS(=O)(=O)C1 747367847 HJIJFZCZDPPJLI-GFCCVEGCSA-N 449.348 0.667 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)n1 1116840287 IFVVZNQDHOKJQU-JOCHJYFZSA-N 438.488 0.929 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1286466570 ZSAPGWSRLMYXRV-UTKZUKDTSA-N 448.593 0.523 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286713922 HRDZLIUMWDQFGD-UHFFFAOYSA-N 445.524 0.514 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@H]2C1 1286813981 HABIDSONDWBHCD-KRWDZBQOSA-N 436.582 0.789 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1299301832 ORYUDFQONXTKEA-LJQANCHMSA-N 429.506 0.082 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1301497862 GDUCOIGQDBFVKP-ZDUSSCGKSA-N 436.476 0.563 30 10 ICEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1309998997 PQLKLVWJPMKIJO-CABCVRRESA-N 429.520 0.312 30 10 ICEE CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1316384823 BQGMXVVVWBPAGF-MGPQQGTHSA-N 430.556 0.091 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965962 FLBDAWTUQOCRLV-IBGZPJMESA-N 445.593 0.862 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1358967993 XCJSBHPEZOZXPQ-MRXNPFEDSA-N 427.596 0.490 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)CC1 1449079152 BVJXXXIEKWLLMJ-UHFFFAOYSA-N 435.550 0.604 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCOC2)CC1 1507904477 YFHBEKOWMGRARV-VQIMIIECSA-N 441.554 0.165 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539066486 WPHRLBORXSJYDO-INIZCTEOSA-N 429.525 0.206 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1539179091 NDTRARLPKILECQ-OAHLLOKOSA-N 438.579 0.996 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1543905349 PVNAHNLLWWFYTJ-MRXNPFEDSA-N 445.586 0.657 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)C(=O)NCC2)[C@@H]1CCS(=O)(=O)C1 1588060005 XWDOBKHJGCOPOX-QGZVFWFLSA-N 427.530 0.801 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831847 XUOAKIJRNCZJSD-HNAYVOBHSA-N 441.554 0.231 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1619966228 ONEMBJZAABIOQQ-GOSISDBHSA-N 443.508 0.527 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1 1624070151 VBZRHESIDKLCIY-KRWDZBQOSA-N 431.518 0.919 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 1631331382 XFHNDMOSHGVNKC-QRQLOZEOSA-N 430.530 0.631 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC(O)(C(N)=O)CC1)CCCC2 1643067266 AMEQJIAMOOEAHL-OAHLLOKOSA-N 429.521 0.668 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 1644285136 JBKMRCWCNYXXOW-YESZJQIVSA-N 438.347 0.947 30 10 ICEE CNC(=O)CCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1649676543 PRFPYUXEGLKNSA-DYESRHJHSA-N 431.541 0.631 30 10 ICEE C=CCN1CC[C@@H](N(C)S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1=O 1661659875 QTOXQSGJDSELTF-QGZVFWFLSA-N 435.502 0.348 30 10 ICEE CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1670810164 DEGOMSXXVYAADV-UHFFFAOYSA-N 443.323 0.680 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690648040 ATDZWWNFFAZFBF-UHFFFAOYSA-N 440.570 0.463 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690715027 BDTXIHQEIHSMFV-MRXNPFEDSA-N 425.555 0.830 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690715339 JCOFBRDVCFJTMB-QFBILLFUSA-N 438.598 0.566 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696309958 KNJLQICYSFNCNR-QBNCKDSPSA-N 445.524 0.694 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1705898305 HPVIFKIMIDJGSB-HNNXBMFYSA-N 428.493 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705908766 HAPLZRSPWJUOIQ-MRXNPFEDSA-N 430.513 0.836 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1706420210 HRRYHYJPELQEQQ-UHFFFAOYSA-N 432.554 0.619 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1722366104 PKBOCKPBDJDPGO-GOSISDBHSA-N 425.518 0.856 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722368464 RYZUKUFTXFTCTP-CVEARBPZSA-N 438.531 0.448 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1722843758 QJFYRUMIHHFRPR-AVRDEDQJSA-N 437.504 0.636 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1723675599 HSTYNFJVSAKKQU-VQTJNVASSA-N 436.488 0.619 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1740549657 NNMNXTYHETWDPY-SFUYWUKASA-N 430.553 0.957 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](COC)OC)CC1 1740838979 DBIMUFUTUKSUFL-SJORKVTESA-N 443.570 0.675 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1740985605 JTSGIFDMXFGRGK-UHFFFAOYSA-N 440.570 0.466 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740986589 BHRRMEINDVDCNW-IBGZPJMESA-N 440.614 0.419 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1748990331 HAVOQPWGZYDFFV-VQTJNVASSA-N 442.612 0.258 30 10 ICEE CS(=O)(=O)CCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1750205099 DTLVYGLHCXOICH-VLGSPTGOSA-N 434.522 0.695 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1766719238 SJFGNHTXSPJZCN-KRWDZBQOSA-N 448.549 0.936 30 10 ICEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1770801471 DOGHMWWWJWZEIC-HOTGVXAUSA-N 429.456 0.927 30 10 ICEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CCCNC(=N)N)sc2c1 1866115642 KNPYSDRURULCFN-NSHDSACASA-N 425.540 0.290 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCOCc1ccccc1 2247875620 ZLMXHBBMMURQJO-UHFFFAOYSA-N 436.343 1.000 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255645224 OBWOUQAZTXMUII-AWEZNQCLSA-N 436.318 0.733 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 501495876 QGEMAFRAKOMKHR-UHFFFAOYSA-N 433.597 0.547 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 508489926 AALZWQZWOOTQDO-WBVHZDCISA-N 435.554 0.915 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 512714854 ZQAAMIVRXRVYRC-UHFFFAOYSA-N 449.305 0.492 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 520185937 XUUOGJRRRNCIRS-KXBFYZLASA-N 431.514 0.664 30 10 ICEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 729331267 AOSWHGGFTNKHKK-MRXNPFEDSA-N 442.559 0.745 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732663716 CZYXQFKPKQYGNE-MOPGFXCFSA-N 448.545 0.915 30 10 ICEE COc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c(OC)c1 735851979 FFCKYTUOFMEKGX-QZQOTICOSA-N 442.472 0.905 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802142532 CDJSQXVNDBTXPZ-MVZUJROASA-N 427.461 0.492 30 10 ICEE C[C@H](CC(=O)N1CCN(CC(F)(F)F)C(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 803599066 AKXVBLGAJRKFRR-LLVKDONJSA-N 432.424 0.737 30 10 ICEE C[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 806782352 YAORBBJUJOAZBO-SKKHPCRJSA-N 431.415 1.000 30 10 ICEE O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1 816692993 ZSQUTEOVXBCHOM-LSDHHAIUSA-N 445.501 0.829 30 10 ICEE COC(=O)CNC(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1156432113 PBCBEOAJXWLAIA-SFHVURJKSA-N 430.461 0.798 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1286396541 WCASAOOBSOGFDO-IRXDYDNUSA-N 435.550 0.673 30 10 ICEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1286605486 XRXUFCLVXFCBNJ-UHFFFAOYSA-N 448.549 0.724 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1286823357 MKHBGLQHPMGKMR-MRXNPFEDSA-N 435.554 0.407 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286825145 MMRXDUAGTQUQSR-MRXNPFEDSA-N 449.537 0.317 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300479280 KTOOTEIRSOGSJK-CABCVRRESA-N 432.506 0.587 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1300579684 YIKBWBMVKMZEKP-PXNSSMCTSA-N 435.550 0.643 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)CC1 1300682903 KUHGURQHFAALGF-AOCRQIFASA-N 438.598 0.849 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301491720 WBKBHCCFNZQLIW-UHFFFAOYSA-N 447.565 0.893 30 10 ICEE COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1=O 1301862126 FPSUEBZPBCODSR-KRWDZBQOSA-N 429.525 0.635 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1358960391 DETOAYYDSPPZLR-QGZVFWFLSA-N 440.533 0.646 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1 1475011198 HRTNHJHTZVBMEA-UHFFFAOYSA-N 425.482 0.367 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539216802 XKPWOSFEBDRRFP-INIZCTEOSA-N 440.533 0.944 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539216869 XVRSBHKGEBGFSI-INIZCTEOSA-N 440.533 0.760 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231930 ZFBKWXNVTAIPFY-QGZVFWFLSA-N 434.566 0.123 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1 1561598402 MNYGKJQPEQSJIW-UHFFFAOYSA-N 435.549 0.034 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)cc2)CC1 1588733391 RIWHTFYJXDTTBG-UHFFFAOYSA-N 444.499 0.828 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1589110434 VPVXWVRZDXWZAQ-KRWDZBQOSA-N 429.550 0.869 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)NCCCC)cc2)CC1 1629056460 LRNHQWJYDOESJC-UHFFFAOYSA-N 435.550 0.511 30 10 ICEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)CC1 1655102954 IWJOUTGLSIHXMN-UHFFFAOYSA-N 441.575 0.666 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(O)(COCCO)CC2)cc1 1658320223 HSVIAVBWSRPKQQ-UHFFFAOYSA-N 427.523 0.861 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1663864375 SBAGMONMJFOTBH-UHFFFAOYSA-N 431.536 0.258 30 10 ICEE N#Cc1cn(C2CN(C(=O)NCc3ccnc(N4CCSCC4)c3)C2)c(=O)nc1O 1683108772 OFODLSUPCUJURH-UHFFFAOYSA-N 427.490 0.535 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689893020 SDMOUVKKKNREJU-HOTGVXAUSA-N 443.595 0.454 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1690622269 LUHIEMZDECTAIC-INIZCTEOSA-N 428.555 0.751 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690622574 SIPHJCFKSZJMTF-HUUCEWRRSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1690715284 HIZPGXJRQBIXJJ-KGLIPLIRSA-N 449.599 0.350 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1696827325 WXGZMCIUJREFHA-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1698317193 IIKDWATZBNWJJA-SFHVURJKSA-N 445.549 0.277 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1705698995 BCZGXRDNOLCOSB-YLJYHZDGSA-N 440.552 0.974 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705901243 GCWDYIBHLNYKGM-MRXNPFEDSA-N 441.467 0.524 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705943737 JJRPZRSQVOGODG-KGLIPLIRSA-N 445.553 0.680 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1710897553 FQMHYTHMEMCVJR-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1722367322 VWOKWEXIYLMXQU-KBPBESRZSA-N 449.624 0.268 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722728350 QIUGMCXLTKWDSA-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740615800 LGOGVCHPTXECQR-INIZCTEOSA-N 435.550 0.446 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740617004 KEUQPSZEXSLHCT-BXWFABGCSA-N 444.529 0.541 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740623371 SJKILCQPQGITEB-INIZCTEOSA-N 438.517 0.703 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1740623573 WXMXEULIZGDYBM-DXQAYGFFSA-N 444.517 0.309 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740751117 XZBIAMAYTSBUFT-PKOBYXMFSA-N 447.584 0.608 30 10 ICEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1749572668 ACOVWSJLAHBIOL-IBGZPJMESA-N 435.506 0.734 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1749669728 MYAPJUDONWFYDC-SJORKVTESA-N 438.598 0.651 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749671019 XWBATZGEFAVXAT-VQTJNVASSA-N 440.548 0.940 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761244120 YNGQNRPKTHHPDK-FBMGVBCBSA-N 443.508 0.560 30 10 ICEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)nnn1-c1nccs1 1889472752 ULVXCSTTXGAWIP-UHFFFAOYSA-N 443.577 0.904 30 10 ICEE Cc1nn(C)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824815 PDTWALFWITUJBS-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE C#CCN1C(=O)[C@@H]2[C@H](c3nccs3)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248027382 WQVJVNSXLAYAIR-CJXDPKRBSA-N 440.437 0.996 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 555255546 LJSSHUFGGLRUKN-TXPKVOOTSA-N 441.554 0.571 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 557685179 UYFWGXICJHGURM-SJORKVTESA-N 447.517 0.694 30 10 ICEE CC(C)CN(C(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 603935199 NXNXTUSUKCTLSI-QGZVFWFLSA-N 427.548 0.996 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 751932377 ZOZDWRFTKURCNF-MLGOLLRUSA-N 449.533 0.549 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C[C@H]3CCCO3)c2=O)cn1 837847571 QSRGQBUXCQWRBP-MRXNPFEDSA-N 439.497 0.235 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1=O 917453037 JIHIUOCNYRSNNF-UHFFFAOYSA-N 447.442 0.237 30 10 ICEE C#CC[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1161364631 FRCGLYFTZXDNMB-SFHVURJKSA-N 432.502 0.750 30 10 ICEE CN(CCN1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298738886 QNIMQZICMZYGLW-OAHLLOKOSA-N 434.522 0.462 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300479703 RMSPPDSFVOHZMV-CQSZACIVSA-N 430.490 0.556 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnccn2)CC1 1301510571 YVPMNIOHEBKMMK-UHFFFAOYSA-N 436.524 0.559 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1359020173 UKVCVPIAWRFKOX-UHFFFAOYSA-N 448.545 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359331829 IYAHFLJWEYWKFJ-CVEARBPZSA-N 438.554 0.135 30 10 ICEE CCN(c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1501648496 IGQFXDSWMBNYAG-RAJOGRCSSA-N 448.549 0.770 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539221835 RFAXMOAUJJIAON-HZPDHXFCSA-N 437.566 0.714 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1539230848 MABFSLYWZPWHOI-UHFFFAOYSA-N 440.529 0.565 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CC)C2)CC1 1539467213 OWTFSXXGACFCMT-KRWDZBQOSA-N 429.569 0.724 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539630355 ZYCULZYYTDIPGQ-FXAWDEMLSA-N 442.568 0.918 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)C)C1CC1 1540109823 VEBKRFJUAOXIPT-INIZCTEOSA-N 440.570 0.538 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCc2cnccn2)CC1 1588071685 LRPFRDHZHPTIQW-INIZCTEOSA-N 428.518 0.402 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1595797093 DRLBPKSIOMTYND-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1618544511 ZOAVQDCNFYKRAA-UXPDKRSESA-N 440.508 0.628 30 10 ICEE C#CC[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1628850097 ULICGAHJUKKAJX-GXTWGEPZSA-N 435.424 0.118 30 10 ICEE C#C[C@H](CO)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1641574928 UEHJZDHBAKYTEC-OGHNNQOOSA-N 443.953 0.845 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(CNC(=O)C(F)(F)F)C3)C2=O)cc1 1644227215 DUCSGOJXHREQDA-CQSZACIVSA-N 437.378 0.900 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C2)c(=O)nc1O 1653759665 FZTAYMATPLYLTK-UHFFFAOYSA-N 443.485 0.692 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)CC1 1685810339 BNSFNTOSTGQKRG-UHFFFAOYSA-N 437.504 0.381 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689984292 MUIYHKAJCRRXOE-OAHLLOKOSA-N 440.547 0.908 30 10 ICEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690352665 KWFDTQSKKHVQMS-AWEZNQCLSA-N 434.859 0.896 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705564423 OCBGJZIIMPIGRT-DLBZAZTESA-N 442.545 0.882 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1705572156 SGOMOXCTUFWBAK-UHFFFAOYSA-N 425.581 0.861 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCN(CC)CC2)CC1 1705639444 OLQWQBSMGUNEOZ-NRFANRHFSA-N 429.613 0.955 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705937700 BXCZGRMMBZDHFT-JKSUJKDBSA-N 441.554 0.241 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCCC)CC1 1722434169 LPEBUUFECRAANF-UHFFFAOYSA-N 444.561 0.630 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1722696737 DLBDAPZTZHWFGI-UHFFFAOYSA-N 431.497 0.076 30 10 ICEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1740724266 ZQVLYEYJTHSPST-CQSZACIVSA-N 425.540 0.455 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1741949251 UEUSPNVNXKEXCF-OIISXLGYSA-N 445.549 0.720 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749229112 HBTZBIVIOSNZPE-GOSISDBHSA-N 448.568 0.938 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749676686 ZMWUYCBAXAPXGX-QGZVFWFLSA-N 432.550 0.970 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1760336727 HQJNCCRTFSPALI-HNNXBMFYSA-N 425.555 0.865 30 10 ICEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1760499941 PXZCJJBJIYYXKG-QGZVFWFLSA-N 428.493 0.916 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760558243 JYTVTOOCBIZSBG-MRXNPFEDSA-N 441.554 0.243 30 10 ICEE COC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769492865 YEAFARMJFSWNJO-ZCXUNETKSA-N 431.497 0.891 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H]2COCCO2)cc1 1771534176 PZBYZJYIDBTQFW-SFHVURJKSA-N 447.517 0.769 30 10 ICEE Cn1nnc(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 2255695357 ZWYNHXQRQADVNG-ITGUQSILSA-N 433.318 0.709 30 10 ICEE C=CCn1ncc(NC(CO)(CO)CNC(=O)OC(C)(C)C)c(Br)c1=O 2265812092 BQYRDFAPBAKVOY-UHFFFAOYSA-N 433.303 0.852 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267165411 FFEZFAHCTKHTIE-CABCVRRESA-N 448.329 0.876 30 10 ICEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1NC(=O)C(F)(F)F 2267606450 XVPZOLRDCFBOJM-MNOVXSKESA-N 445.251 0.643 30 10 ICEE N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C/c2ccccn2)c(=O)n1Cc1ccccc1 35334858 ZMBOZILAGMCSSK-PLZCPHGYSA-N 432.505 0.715 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cc(F)cc(F)c1 72443906 AKKALIASYOTKSF-ZIAGYGMSSA-N 428.399 0.974 30 10 ICEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438617881 GNEQPVDDNVXVNW-JEYLPNPQSA-N 432.506 0.860 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1 438942024 IAEAXECDMOCSSP-MWDXBVQZSA-N 436.486 0.716 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 460931099 JRBQTBPPALPXDD-HNNXBMFYSA-N 426.543 0.246 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C2=O)cc1 488260064 BSODQHOPAFOTFG-LJQANCHMSA-N 445.545 0.915 30 10 ICEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 517393945 DWYWCRVGMAGOKO-UHFFFAOYSA-N 440.504 0.841 30 10 ICEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 554269657 TXOGMPRTTSFBPA-ZDUSSCGKSA-N 434.444 0.607 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1-c1ccccc1 562491137 JHVFBBMOAWWGIJ-UHFFFAOYSA-N 444.314 0.644 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@@H]1CCCO1 609220601 YKJJSSCMMJWOBX-INIZCTEOSA-N 445.516 0.802 30 10 ICEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 611371708 FPWIBWFQPVGMCY-GCJKJVERSA-N 437.548 0.808 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 732152474 CHYRTAVHGFMUMS-VDMFXUGISA-N 438.531 0.934 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCN1C1CC1 732706801 PZACUJGANOQPJD-IBGZPJMESA-N 425.489 0.225 30 10 ICEE CC1(C)CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 785232484 MNSMYBJXFFPLBB-MRXNPFEDSA-N 435.502 0.892 30 10 ICEE CCc1oc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1C(=O)OC 800847312 YLDTUWIGICVXLJ-UHFFFAOYSA-N 442.497 0.211 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(Br)c2N)CC1 1175515038 PEWBDPSRPVXNFF-UHFFFAOYSA-N 431.312 0.265 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1OC 1286297076 USNPHHFSUNNMPL-VVLHAWIVSA-N 441.554 0.120 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1300478790 BLYHLZLVZITVKW-QGZVFWFLSA-N 437.566 0.958 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300864140 ZDDOYTYKEJUNDC-CVEARBPZSA-N 440.570 0.481 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)C1 1301556224 GIQRNZCIUCPFBT-OAGGEKHMSA-N 447.533 0.377 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(CCC)C(=O)C1 1301588805 JOXUXHHOQSIRQH-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1302478863 HLZFWOMZFPAECZ-SJORKVTESA-N 431.522 0.417 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1315928900 BGHDVPKKFBDYDM-VQIMIIECSA-N 440.504 0.916 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1358964059 SFGVARMLOQGJSB-JKSUJKDBSA-N 437.522 0.251 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)S(=O)(=O)CC)CC1 1359035361 RNQWBDAVYUDZPU-SFHVURJKSA-N 438.598 0.947 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CC1 1359036170 OZMGATNYWFWFOR-MRXNPFEDSA-N 436.582 0.098 30 10 ICEE C=CCCOCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359228180 WCJGTKGBJUGQJC-UHFFFAOYSA-N 437.570 0.986 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1359304996 PYXJCLOADOQULE-UHFFFAOYSA-N 443.508 0.629 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCS(=O)(=O)N2)c1 1441740849 WBADNBGKJFPDHE-OQCHKFKFSA-N 428.536 0.910 30 10 ICEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1464908130 CUBYZKWZGWOLPY-UHFFFAOYSA-N 427.530 0.927 30 10 ICEE Cc1ccc(Br)c(S(=O)(=O)NCCNc2[nH]c(=O)n(C)c(=O)c2C#N)c1 1472779294 BSLQWZDZJPEUNA-UHFFFAOYSA-N 442.295 0.407 30 10 ICEE Cc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1S(=O)(=O)N(C)C 1473850782 SFHQCQNNJJEXBQ-KBXCAEBGSA-N 440.547 0.054 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507753843 JBLUBFMNJKJLFN-KBPBESRZSA-N 426.568 0.066 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540903374 CFDUVNCDRLMCIP-JKSUJKDBSA-N 433.490 0.979 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)CC1 1588199599 VEBGJNKFEAYSAI-UHFFFAOYSA-N 425.532 0.238 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1588261947 AJUCWTRPMDTCOV-OAHLLOKOSA-N 431.522 0.809 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1588946631 GNLAUYOHLGQVLD-UHFFFAOYSA-N 444.561 0.763 30 10 ICEE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Br)cc1C#N 1595917713 LCLOCANEZIUZBE-AWEZNQCLSA-N 428.308 0.625 30 10 ICEE CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 1643574784 SAYCBNYHIIPNCS-QAPCUYQASA-N 436.534 0.615 30 10 ICEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1647297124 RLSGXEFJBWACGV-YJYMSZOUSA-N 433.490 0.448 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1Cc2ccccc2OCC1=O 1651694173 BCOSQJFGJFYQNQ-HNNXBMFYSA-N 442.497 0.762 30 10 ICEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1682617331 CEPFOHSYZVTTNB-ROUUACIJSA-N 429.502 0.750 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690245509 JJYYBGUCAZVZOI-IHSNIMORSA-N 437.566 0.863 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 1690666263 YAYRZQOCFACVMT-MRXNPFEDSA-N 436.524 0.753 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@H]1O 1697064123 DGXFHWKLXBMEMW-GUDVDZBRSA-N 441.488 0.982 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705905577 ZWYXWQLLPFAEAN-FQEVSTJZSA-N 430.534 0.581 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N2CCOCC2)C1 1705916182 ITDNTGGXWZVPGT-DYESRHJHSA-N 435.525 0.570 30 10 ICEE CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711411288 HLPHXPADHOJIOL-ISLYRVAYSA-N 430.513 0.464 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722367234 VPRVRGAVBUDVES-PXNSSMCTSA-N 440.566 0.982 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1722476256 ZJBBUMJEWWXGLR-VQIMIIECSA-N 434.522 0.948 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1730879644 ZUJINRXFNXZJMY-CQSZACIVSA-N 438.510 0.597 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1740605187 OQEXSFUYMQLNPN-KRWDZBQOSA-N 426.506 0.958 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1740626114 SDUNQMYMEYIUAC-JWRCQZCYSA-N 447.586 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)C(C)C)CC1 1740700675 FFVXOWXDVIWMQY-OALUTQOASA-N 432.569 0.920 30 10 ICEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1741006293 FTZMAAURIMQQPO-JYJNAYRXSA-N 425.555 0.873 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748803388 YDFKRPCKJPVXDA-UZLBHIALSA-N 437.566 0.858 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCS1(=O)=O 1748906349 CJDWQTRQJNRCQN-ROUUACIJSA-N 435.550 0.501 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCCC)CC1 1749015187 AKRBGHOMYBJETR-UHFFFAOYSA-N 440.552 0.632 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1749724650 KUZCFIAJJMKFGC-CQSZACIVSA-N 444.583 0.619 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1749738450 NIECOEFDSGZULC-UHFFFAOYSA-N 449.581 0.845 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760183327 ASCUUHMOBIIBBT-RXVVDRJESA-N 429.546 0.638 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760523313 SZWRSDIOVOURES-INIZCTEOSA-N 439.524 0.620 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1760553284 QTXRUBPCUWOXNO-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760555415 FOMGIAWLKYABJG-HNNXBMFYSA-N 445.611 0.912 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760688462 IAJWMQIIMPOESW-ZIAGYGMSSA-N 445.549 0.818 30 10 ICEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C(=O)C3)C2)cc1 1854203045 ULFAXAZYXSZDAY-MOPGFXCFSA-N 430.530 0.238 30 10 ICEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CN3CCC(F)(F)CC3)C(=O)O2)CC1 1856672071 QMAQTEPRTMUYGR-AWEZNQCLSA-N 434.465 0.630 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCCO1 477447213 XIUXORUWOHXMRI-CYBMUJFWSA-N 449.554 0.425 30 10 ICEE C=CCNC(=O)NC(=O)CN1CCCC2(CCCN(CC(=O)NC(=O)NCC=C)C2)C1 567150323 ZYZWRVLZKTYAKJ-UHFFFAOYSA-N 434.541 0.188 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 729257110 RRQKVSLOAVNKDD-UHFFFAOYSA-N 429.546 0.749 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 756749379 AGVUSWBIWDHWJG-LPRCSBTHSA-N 439.538 0.949 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)nc1 761856123 SEMDIMUKQXBTKT-UHFFFAOYSA-N 431.539 0.530 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)C2=O)cc1 766106390 ZNLOOZBCVUTYSM-QZTJIDSGSA-N 440.456 0.944 30 10 ICEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1F 782598990 PNVPYCAZXCJRKF-UHFFFAOYSA-N 428.489 0.806 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CC1(C#N)CC1 793206219 XGWMKEJESFFAPW-UHFFFAOYSA-N 427.504 0.379 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnnn1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300484096 OGNMTALHTFYWIJ-OAHLLOKOSA-N 432.554 0.647 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300656476 HOYZGXHKBLZTOU-UHFFFAOYSA-N 443.529 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)C)CC1 1300729153 OSOYLTPOWAAOFG-UHFFFAOYSA-N 429.550 0.688 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1303002101 RGERKRJMQLUPFB-MRXNPFEDSA-N 435.510 0.977 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359056715 KDSPBIMKKIYYME-HOTGVXAUSA-N 432.550 0.915 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1359150852 HXXMEJPKKKNNLJ-OLZOCXBDSA-N 433.918 0.363 30 10 ICEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507960844 VSPZHKLLMACYNL-UHFFFAOYSA-N 439.520 0.860 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1510217518 HMTZTRMXXNWLEJ-ZQIUZPCESA-N 443.599 0.054 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1540200514 BKMSKBYFTAJFHF-INIZCTEOSA-N 429.612 0.868 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1540889190 GZUFXVZCOQVBHT-IBGZPJMESA-N 428.541 0.624 30 10 ICEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552876673 IYIBBOFYPKNHRE-GOSISDBHSA-N 430.557 0.155 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)s1 1556316435 AMYJZXODAZKXFP-GXTWGEPZSA-N 435.593 0.589 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588049699 KWHDLUOWBVYBLU-OAHLLOKOSA-N 439.501 0.442 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1588140436 XKHXYCLUKVKKNG-VQTJNVASSA-N 446.621 0.527 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1CCN/C(O)=C1\N=CC=CC1=O 1608211406 CJTIXVDEMYJHAY-BVFVFODLSA-N 433.538 0.884 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1638217215 IMLZVSUNKPYRNL-GDIGMMSISA-N 442.538 0.592 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCC(F)(F)F)CC1 1675626675 XOAJVSSVSKQBMD-UHFFFAOYSA-N 434.440 0.923 30 10 ICEE C#CCCCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689903826 AFHYBKXPXIRHOH-UHFFFAOYSA-N 432.525 0.126 30 10 ICEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690305067 WJVMESFXSCHCBN-SFHVURJKSA-N 435.488 0.556 30 10 ICEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1=O 1696880549 WPAANNBDUOEHRV-UHFFFAOYSA-N 432.506 0.156 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705564147 LZPQMHRXDDHZNA-QZTJIDSGSA-N 444.561 0.688 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1705904477 QELWPEWRNUFJNR-KRWDZBQOSA-N 449.533 0.964 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1C 1712442738 HMCNRPJYNPDPIG-KRWDZBQOSA-N 435.492 0.931 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722323013 ZECUBWLHDRXUAV-UHFFFAOYSA-N 430.513 0.681 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722369461 ZPKRKWOPBMPYPS-ZBFHGGJFSA-N 426.564 0.607 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC 1722397088 MWXJUGXPMSEJMH-PXNSSMCTSA-N 437.566 0.625 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCOC2)CC1 1722449357 PZWXNOJIQUDNTD-NRFANRHFSA-N 444.561 0.751 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722458748 SBUDYYPOGQDRJP-DLBZAZTESA-N 447.609 0.632 30 10 ICEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1722703789 IBIDKZHKGXLREX-CMPLNLGQSA-N 444.468 0.711 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1723622228 SRKCEBIGBLVNKE-DOTOQJQBSA-N 443.483 0.628 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740788867 YMKRPZIZHMGPMO-MELADBBJSA-N 429.499 0.595 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC2CC2)CC1 1740824835 CQNJILWWFTZAPQ-MRXNPFEDSA-N 438.554 0.294 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748808560 LCTPXDYXTUZVQB-OALUTQOASA-N 441.513 0.859 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748812697 ZDXDIFWXANHJPA-AEFFLSMTSA-N 447.565 0.026 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1748817442 KVHJZZJOHACJRW-SJLPKXTDSA-N 447.536 0.951 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC(=O)N1 1749967922 VCBUTHGXDKTPDU-XJKSGUPXSA-N 441.492 0.816 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1760252402 QBPQTROZXOFWDV-UHFFFAOYSA-N 444.628 0.445 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760269301 DXCFLCSNKXVSKR-NRFANRHFSA-N 449.577 0.451 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760451122 AAXABYBZTXEZOU-PMPSAXMXSA-N 431.534 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1760557472 MOIOUABYIIEUPZ-OAHLLOKOSA-N 425.555 0.863 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CCCOc3ccccc3)C2)CC1=O 1857381751 TWMFESIVOBNIGQ-KRWDZBQOSA-N 434.518 0.444 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(=O)n(C)[nH]c4c3)CC2)CC1 1889459024 JVTRDOKOELYREH-UHFFFAOYSA-N 425.533 0.739 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2255831757 ASJBMPZVRAVAJD-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 2282850445 PAKDMVGXCVZPAQ-AWEZNQCLSA-N 427.332 0.635 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1=O 2286043458 GYXPYPCVWHEJCR-MRXNPFEDSA-N 439.490 0.114 30 10 ICEE O=[N+]([O-])c1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O 252614159 JGLXMMDISMRTSE-UHFFFAOYSA-N 430.425 0.605 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)nc4)CC3)C2=O)n(C)n1 506531041 FBFQOYSKYXZPKQ-SFHVURJKSA-N 443.533 0.497 30 10 ICEE COC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)c(C(=O)OC)c1C 586347133 JVSUDLMNEYVJMR-LJAQVGFWSA-N 443.503 0.689 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@H]1CCS(=O)(=O)C1 729334708 BITCABJQBAMZJP-ZDUSSCGKSA-N 431.561 0.015 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 730537320 RVCDLWVWWBLANU-OALUTQOASA-N 438.571 0.877 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1[C@@]1(C)NC(=O)NC1=O 732668829 AFPQPPQFWLCHNS-ORAYPTAESA-N 433.490 0.111 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839377219 BITXNCGXOVXFBU-UHFFFAOYSA-N 436.497 0.091 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]1c1cnn(C)c1 1153821682 CVAJLWCPWPQWEB-BRWVUGGUSA-N 432.330 0.995 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 1228118540 YENYOBJZIVEZJM-HNNXBMFYSA-N 442.563 0.336 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1251471688 HKPMOWITNJIKDF-SHTZXODSSA-N 429.543 0.085 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286384373 QHJHPCFVVOJZDX-ZWOKBUDYSA-N 440.566 0.982 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1286448391 UHGDKXLOEOURIQ-QGZVFWFLSA-N 426.587 0.801 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1300513218 UXDPXDLMUYZASF-OAQYLSRUSA-N 425.493 0.545 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301502935 SYQMLMFCYCEXDN-INIZCTEOSA-N 431.585 0.958 30 10 ICEE CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1313770632 GOUQFHJBKPCWOZ-DXQAYGFFSA-N 445.524 0.948 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1316204360 IYHMPLYPRYMALK-MRXNPFEDSA-N 442.524 0.684 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1316206283 MPDABYGBWKHJIK-AEFFLSMTSA-N 447.540 0.037 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1320673016 IFYXTRVMCHXZHM-AZUAARDMSA-N 442.516 0.927 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 1358956667 JEMXWHCBBCLCFG-SFHVURJKSA-N 430.534 0.493 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359304569 BINOVHOWWBFKKH-AWEZNQCLSA-N 437.497 0.922 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359305449 CYRZESFMCLACCW-JOCHJYFZSA-N 448.568 0.927 30 10 ICEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503305554 NPEKKABQXVYKHB-NGODJESCSA-N 436.582 0.947 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507573451 HLZUQCSGFHMCHD-INIZCTEOSA-N 445.549 0.659 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1507623776 XDXORJCUNSXPBM-CVEARBPZSA-N 445.611 0.951 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507868503 LDDOKYZNHJFFRY-UPJWGTAASA-N 447.901 0.478 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCN(C)C2)CC1 1539484373 MVGDRSKMGRPIIN-HSZRJFAPSA-N 437.548 0.296 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 1546286392 CNGZFHYYQXIXCP-MRXNPFEDSA-N 441.941 0.410 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1552379413 DLTHPJWWAJZSCS-FQEVSTJZSA-N 445.549 0.718 30 10 ICEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1557989000 SEXBYTNKCURZDQ-UHFFFAOYSA-N 425.463 0.432 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588054933 QFGILEFGJUDTFI-IAGOWNOFSA-N 444.561 0.918 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1598566864 AHZDVUYNWWURSO-BLLLJJGKSA-N 429.545 0.152 30 10 ICEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1C 1607490317 WHUKPESOHFTATG-UHFFFAOYSA-N 445.501 0.857 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1628146967 UERSHEPNBUVSLA-FQEVSTJZSA-N 442.516 0.308 30 10 ICEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 1661955050 DQNGPEVHVRHOKP-UHFFFAOYSA-N 441.531 0.939 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 1669529102 FLDRUAAIYVPJAJ-HOTGVXAUSA-N 436.538 0.312 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1679101415 VWLLKSKDMINGRV-UHFFFAOYSA-N 443.566 0.946 30 10 ICEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1690218429 GNYFHPBRPZQFEL-UHFFFAOYSA-N 441.330 0.718 30 10 ICEE CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1695044001 APZXNUYSQNJGKS-RKVPGOIHSA-N 428.559 0.758 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705524740 RNLMIYSRQMFWSZ-MRXNPFEDSA-N 442.549 0.895 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1705698994 BCZGXRDNOLCOSB-XLIONFOSSA-N 440.552 0.974 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705781070 OUPZJLLVEOAYMO-HIFRSBDPSA-N 431.584 0.725 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705943739 JJRPZRSQVOGODG-ZIAGYGMSSA-N 445.553 0.680 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1706593943 ZLIJIIYRKSRRHO-HFUDNHEJSA-N 445.524 0.946 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1722294843 ICKRKOICEQQCDT-WLOOLWSVSA-N 445.611 0.616 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966411 YCMOORXQPYIGGV-XMSQKQJNSA-N 443.552 0.797 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1748891601 BCEYXEGLDJPEES-SFHVURJKSA-N 449.577 0.769 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749668618 AYYHHMMZEJDXFJ-ZBFHGGJFSA-N 433.538 0.557 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCSCC2)CC1 1760268692 OMJJSRLPLLIMFL-UHFFFAOYSA-N 440.577 0.750 30 10 ICEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCSCCCO)C2 1770736168 UWXPPOWHWZYLPG-INIZCTEOSA-N 443.533 0.880 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1771112807 YEPJMVHAJXPLPH-QAPCUYQASA-N 427.527 0.352 30 10 ICEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856838470 LLLNLNACPRQJSH-GOEBONIOSA-N 438.481 0.191 30 10 ICEE C=CCN(CC(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2210482190 MQOMNZZOXCJASP-FMKPAKJESA-N 429.514 0.867 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 460933681 QHSCYKLVLHWMSZ-XHSDSOJGSA-N 438.554 0.435 30 10 ICEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506640704 BAYDQUZTPAIMHM-HKUYNNGSSA-N 429.569 0.850 30 10 ICEE CN1CCN(C(=O)CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 520464680 LBIBMWHNCBRSDU-UHFFFAOYSA-N 447.561 0.239 30 10 ICEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549694197 YAEOONNXQDWWSE-SFHVURJKSA-N 435.492 0.866 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604002227 ZTPARHJBZDAGLJ-OAHLLOKOSA-N 445.504 0.820 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](O)CC(F)(F)C2)CC1 615821970 FHRZOSKTKPDLBK-OAHLLOKOSA-N 428.461 0.093 30 10 ICEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774147936 YGJGRIXNMFTKPW-QUCCMNQESA-N 435.546 0.900 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 774255790 OLIYWRVABQHGSF-LLVKDONJSA-N 439.968 0.512 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 1140132794 OVJHPRDXAWYKDZ-SFHVURJKSA-N 426.286 0.689 30 10 ICEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1286358864 MIQWDHVDBCKVRK-UHFFFAOYSA-N 438.941 0.870 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1286773731 QVTLZTORPKRNJI-MRXNPFEDSA-N 425.511 0.891 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1286790169 JMBXVAPCETYYSK-UHFFFAOYSA-N 442.499 0.563 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1286878377 VKXOPUWUVZZSEV-ITZAQCPESA-N 438.492 0.857 30 10 ICEE CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1294054679 LRUHITVUXPGMIP-KIJUOZEOSA-N 445.524 0.948 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1295069636 GTIJAHLIUGITPC-MRXNPFEDSA-N 437.508 0.301 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cnn(C)c1 1304272293 QNYWTZZVEWDUOA-QMTMVMCOSA-N 437.522 0.725 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C(=O)OCC)[nH]c3ccccc23)CC1 1311136676 QWXBNILZMFJOON-UHFFFAOYSA-N 433.490 0.962 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358962141 LACIQLONFCERHX-LSDHHAIUSA-N 449.533 0.915 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCN(C(C)=O)CC2)CC1 1359046762 FDIWPFQTEGPLOA-UHFFFAOYSA-N 441.580 0.361 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359121621 ZGIIBPNFQQLNED-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C1=O 1436055412 VPTKRWYDQOJIFU-HNNXBMFYSA-N 428.532 0.364 30 10 ICEE C[C@H](CC(=O)NCC(=O)N(C)OCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1453738681 PIQIWTFWXVMFIA-SNVBAGLBSA-N 436.412 0.572 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)ccc1F 1454606824 BQVIPJRZUUFRLI-UHFFFAOYSA-N 440.497 0.101 30 10 ICEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1499725620 WPUOZXLACGSMLD-NSGUQTEZSA-N 443.508 0.759 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1505136573 CLPSGBVIXQROLH-HNNXBMFYSA-N 433.494 0.214 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)CC1 1507720602 UYADRIFJTJRANT-HNNXBMFYSA-N 425.472 0.884 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1507726628 CMHWLPGGDSWYHO-DEOSSOPVSA-N 438.576 0.894 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507829659 HRYDTVOWSHQQKK-OAHLLOKOSA-N 428.497 0.862 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1508072418 FSCWLVZAVBAHJH-HZPDHXFCSA-N 439.586 0.255 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539141669 XEORSFDFDUXBAL-JOCHJYFZSA-N 432.569 0.990 30 10 ICEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1546538750 HWBMRJYFYCRGKF-OAQYLSRUSA-N 444.561 0.584 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 1563575557 OUSWULJIEQZANZ-UHFFFAOYSA-N 443.529 0.955 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1595506865 ORRBGBFKZJITBA-NRFANRHFSA-N 428.493 0.966 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 1622257043 RGCRDOWUGJAMIM-UHFFFAOYSA-N 432.315 0.785 30 10 ICEE C#C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1625165106 FDJYZGXRSBZYSV-SMDDNHRTSA-N 431.308 0.093 30 10 ICEE C=CCC1(O)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1645230048 RDBZTSDJLFXVLT-CQSZACIVSA-N 449.451 0.767 30 10 ICEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1648155701 NWPXHVCWIZWBBI-CWFSZBLJSA-N 430.486 0.159 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988026 HODHLKRQBZMRMB-ZACQAIPSSA-N 436.582 0.586 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689994234 URTMCHBBDPZDGW-QGZVFWFLSA-N 430.534 0.369 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1690655236 LVANQFUCGGGKNM-UHFFFAOYSA-N 429.447 0.501 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1705552175 WDPHSFKJLFCSNP-GOSISDBHSA-N 433.534 0.932 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560642 MFUWZLRRYJFQHD-HZPDHXFCSA-N 426.539 0.544 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)CC1 1705639168 HXQQMFWVVSCSHA-KRWDZBQOSA-N 430.534 0.387 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C2CC2)N(C)C)CC1 1705647321 FBRJDWJJGUPJGM-QZTJIDSGSA-N 427.553 0.535 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705647372 GBZJPBLJQJHKTD-HXUWFJFHSA-N 435.550 0.061 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCN(C)C2)C1 1705924128 BGGLNAVPCBALKF-FRQCXROJSA-N 425.555 0.028 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706611312 GUFBYMAJLJFUOU-BEFAXECRSA-N 437.570 0.970 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722430520 DMNBRAKXELSBMP-MSOLQXFVSA-N 439.582 0.725 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722691941 CLFUENPMDVLAEB-VFNWGFHPSA-N 434.541 0.883 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1740625013 LWYPCKCXUAHMHI-DYESRHJHSA-N 442.545 0.369 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740960668 XKHRDQRKSOWQFB-IRXDYDNUSA-N 437.566 0.735 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740964270 MUDWBQOSSIZLMW-QGZVFWFLSA-N 444.492 0.119 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748811821 LWNJEBCMMUBARE-QGZVFWFLSA-N 431.518 0.508 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760180374 CVDHNPPGVGMEGD-GOSISDBHSA-N 445.545 0.729 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760280187 DGAOLWYEMMPEQU-JKSUJKDBSA-N 435.579 0.980 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760529205 ZLTNCQFOLCGZQS-DYESRHJHSA-N 434.541 0.585 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1760548813 PZTZJONEVKHYSQ-SFHVURJKSA-N 433.469 0.968 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cn(C4CCSCC4)nn3)CC2=O)CC1=O 1856500676 OBOFXMWZVDJSGJ-HNNXBMFYSA-N 432.550 0.552 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)CC1=O 1856791498 CPABDVJSNATALY-XJKSGUPXSA-N 430.429 0.988 30 10 ICEE O=c1c(Cl)c(N/N=C/c2ccccc2S(=O)(=O)O)cnn1[C@H]1CCS(=O)(=O)C1 1873529080 MHUZAMXZNXIDOQ-MIUNIBSDSA-N 446.894 0.949 30 10 ICEE Cn1nc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255609507 HTPDKEBKHITUJE-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546492 XNGQGPPEEFIYJI-MNOVXSKESA-N 445.251 0.786 30 10 ICEE CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 514868393 VNLYMMJYEQAVBR-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 521698342 REKJHYGYXUPGJW-MRXNPFEDSA-N 447.561 0.428 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 523181057 UWVGZNNGUZTBGP-UHFFFAOYSA-N 426.542 0.755 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 558718088 IMIXMXTUFXYUSR-UHFFFAOYSA-N 426.498 0.694 30 10 ICEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 560726071 IQOCRDGGUFRHKW-INIZCTEOSA-N 428.536 0.375 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 562027090 AFWKFBQCYPFVJR-OFLPRAFFSA-N 440.570 0.681 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)C[C@@H](C)O1 603576514 YQOUFZLFRDFIQZ-BRWVUGGUSA-N 436.534 0.824 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCN1CCOCC1 603923537 MGAFNECEEGLGLG-UHFFFAOYSA-N 426.542 0.108 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 783010752 GTEYBDIAWMGITB-UHFFFAOYSA-N 430.552 0.027 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(=O)(=O)CC 802569171 BESPACCSIRTVMR-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@H]3CCCO3)c2=O)cn1 837846760 IXZUEKLHUZANDP-OAHLLOKOSA-N 436.497 0.359 30 10 ICEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1128492911 WSQLRYICTDJIOY-QGZVFWFLSA-N 439.557 0.823 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286358869 RKUYMMUAJBZQTJ-HOTGVXAUSA-N 430.509 0.936 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286383672 YOLAKFFUMLEDHC-RCCFBDPRSA-N 449.577 0.956 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1286816232 DDZFKDXWWNFSOO-STQMWFEESA-N 437.613 0.431 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1COCCO1 1288840002 FTDTUPRLCDBUCI-DAYGRLMNSA-N 426.543 0.824 30 10 ICEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(S(=O)(=O)N(C)C)c1C 1289437521 QQZAGYRZPSHHOT-MAUKXSAKSA-N 425.532 0.564 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1=O 1298871897 LIFRJBOUECDMLZ-IBGZPJMESA-N 431.522 0.280 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301085824 BGMYGIQOFARYQG-QFPXGYFVSA-N 446.533 0.863 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1304730493 FRHIRIPGPPWUKJ-UHFFFAOYSA-N 449.585 0.533 30 10 ICEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316223258 KGWKICAUWNJOHW-MRXNPFEDSA-N 436.513 0.357 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359048143 GRADCYORJUOIGZ-CQSZACIVSA-N 445.553 0.315 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507637150 IILSPCVWOROXGG-OKZBNKHCSA-N 437.566 0.477 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507738754 XOEWDPVXRSSXIQ-INIZCTEOSA-N 428.537 0.616 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1508058700 DNPOCLNAEGZRGM-KBPBESRZSA-N 440.551 0.831 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508093846 WOFXIKXCUUGKLO-JKSUJKDBSA-N 437.566 0.614 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1517600749 QQPJZPVFKXUAMQ-AEFFLSMTSA-N 437.504 0.827 30 10 ICEE COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1518730131 CIFCABQNXPUTFO-INIZCTEOSA-N 441.492 0.597 30 10 ICEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539096086 QCBAMGYUEFHJSC-SFHVURJKSA-N 446.552 0.687 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1539179912 UCPPHNIATRFFKE-KRWDZBQOSA-N 436.559 0.843 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1539212372 VKQXGKHBSLTDET-KRWDZBQOSA-N 440.533 0.957 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCSCC3)n2Cc2ccc(C#N)o2)C1 1555812886 IUCFJNFKYCWLTE-HNNXBMFYSA-N 438.535 0.677 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)c1 1557306118 LJEGEIGJOUEZTI-INIZCTEOSA-N 438.502 0.991 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1585211733 PICYNVGGWCAEJO-XDOYNYLZSA-N 431.537 0.744 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1588813303 WYDJUNWYXNWMCD-GOSISDBHSA-N 442.545 0.083 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1595544407 HRMGKHWDVSPPPN-INIZCTEOSA-N 439.524 0.066 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1595796976 CLBYEFBPSYWKND-JKSUJKDBSA-N 446.595 0.644 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1595797091 DRLBPKSIOMTYND-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1613897564 CYLOXZJQXRZSPE-STQMWFEESA-N 438.558 0.979 30 10 ICEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)c1 1641584538 OCQIWNFGZBHXGS-HNNXBMFYSA-N 439.497 0.881 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689988183 KSDNARKPQNKKHW-UONOGXRCSA-N 434.547 0.555 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN(CC)S(C)(=O)=O)CC1 1690120379 SNFTWUQFDSEZTJ-UHFFFAOYSA-N 433.582 0.710 30 10 ICEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N2CCOCC2)CC1 1690131932 AXCDNIUTJNCLSO-UHFFFAOYSA-N 438.532 0.780 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CCOC)c1 1690189991 IIYJZROPCDRJHU-DNVCBOLYSA-N 435.554 0.772 30 10 ICEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690257821 VJYFWZAMOACWEI-OALUTQOASA-N 428.555 0.882 30 10 ICEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698493274 PMRQPUHVLSRPAY-HIFRSBDPSA-N 443.439 0.713 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 1705907723 VJFGKXRGDBCBNZ-UHFFFAOYSA-N 428.541 0.924 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1710972129 CKDAAFJNSVSGQS-MJGOQNOKSA-N 440.552 0.955 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C1 1712876219 MZMGUGKMBBWCQE-KRWDZBQOSA-N 425.371 0.829 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@@H]1C 1722378870 IMHSWZMCFBRVDA-IERDGZPVSA-N 442.545 0.851 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)COCCO1 1723927593 UGUIUPZDJFXRFC-KSSFIOAISA-N 426.543 0.824 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC3)CC2)c1C#N 1725866019 YTZQQQCISQMZJP-UHFFFAOYSA-N 427.513 0.181 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@]2(CCOC2)O1 1726666192 HDMMXXMASBDADF-FOIQADDNSA-N 446.533 0.750 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2COCCO2)C1 1740972372 HJZAUFPVFWUFKJ-XHSDSOJGSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740985070 AXXIZHCPUGPIRP-OAHLLOKOSA-N 435.554 0.745 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1749738416 MMAMDELSFSDUJR-INIZCTEOSA-N 436.538 0.740 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749755864 NDYKZLURQCVLQB-CVEARBPZSA-N 443.595 0.441 30 10 ICEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760284841 SPWAVQUKUJBOEL-GOSISDBHSA-N 438.557 0.691 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760529146 XYHPEJIOROTLTK-IIBYNOLFSA-N 447.540 0.273 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760555904 QHIAFXLRXMFTLM-HZPDHXFCSA-N 425.555 0.878 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760683639 NYDXXSIMBSCKNJ-GOSISDBHSA-N 441.540 0.896 30 10 ICEE C=C[C@@]1(CN)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136334 WINDMHIFMKMOJW-RTBURBONSA-N 425.482 0.556 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCOC2)C1 461415306 BNZUEDNSSWBRLY-DLBZAZTESA-N 438.554 0.778 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1=O 508692134 UKKGAHYGNXTGMF-SFHVURJKSA-N 435.488 0.679 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCO2)CC1 555484978 CTVROPHHABHGQJ-KRWDZBQOSA-N 433.557 0.410 30 10 ICEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 757858445 XOVAYYZHDRCYSD-CVEARBPZSA-N 437.584 0.619 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760385754 XVVIFYYIEBVTKB-UHFFFAOYSA-N 428.539 0.991 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 765350259 PVEIOIIFPRUFEH-UHFFFAOYSA-N 432.477 0.899 30 10 ICEE CS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 774243870 SUJBEJRKMPUAIT-CYBMUJFWSA-N 425.898 0.849 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCCS(=O)(=O)N2CCSCC2)n1 788986804 PXAKKZKTEUEEAS-UHFFFAOYSA-N 429.568 0.053 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 918615812 BLTNZSGXXTURHO-DOBRELDZSA-N 445.501 0.549 30 10 ICEE Cn1ccnc1C1(O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1175696807 JNJHVQGMIRARHD-UHFFFAOYSA-N 431.518 0.749 30 10 ICEE C#CCCCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1286334538 IOFKVSRCGGJFEF-UHFFFAOYSA-N 430.553 0.887 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1286466672 IHRSHKPTZNIBST-OAHLLOKOSA-N 435.506 0.289 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1286472873 LZWOMIFTCBUMOJ-REWPJTCUSA-N 446.596 0.795 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286820355 KBYGWAWQTDJDRH-FRQCXROJSA-N 426.539 0.767 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286820889 UOYQJBXTCOUVIV-IRXDYDNUSA-N 441.554 0.462 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1300780602 UQFWXXDLYWTAMY-SQGPQFPESA-N 438.598 0.849 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1301965084 HIHGHYRWMKTQQP-UONOGXRCSA-N 441.583 0.204 30 10 ICEE C[C@@H]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1304965821 CLUSFDCELRPOID-TWMKSMIVSA-N 438.554 0.776 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1=O 1314921118 UBLAWNMVWNYVJE-HXUWFJFHSA-N 428.518 0.776 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1359009842 ZVMBPGPAQJQTBT-HNNXBMFYSA-N 428.580 0.997 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359300551 FHHUZYICGLNLGK-WMLDXEAASA-N 426.477 0.760 30 10 ICEE CN(C)C(=O)COc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1516978747 DCNWLSYKCUYTAY-SFHVURJKSA-N 448.487 0.979 30 10 ICEE CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H]2C[C@@H]2C#N)CC1 1522360834 SHOAQDWWWDPICI-SJLPKXTDSA-N 447.561 0.948 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nnn(-c3cnn(C)c3)c2C)c1 1528412648 RNPHLWCYBHAFCL-UHFFFAOYSA-N 433.472 0.796 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539212823 YBCWWBVYHHLYMZ-KRWDZBQOSA-N 447.542 0.488 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1539750504 QHHFZWGFEGNMKX-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCn1cc(CNC(=O)c2ccc(I)cc2-n2cnnn2)nn1 1584318958 BSFRHCOPAVQQBG-UHFFFAOYSA-N 436.217 0.974 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588053113 BATZKNHSZKGYHM-IRXDYDNUSA-N 435.550 0.673 30 10 ICEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc12 1598567063 FLLXGYDBCCHOLA-FTLABTOESA-N 435.531 0.458 30 10 ICEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c1=O 1615731749 AGFGXYLIVQGKAD-UHFFFAOYSA-N 433.472 0.895 30 10 ICEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 1622395636 FVTSSQCZVYJWJO-NRFANRHFSA-N 427.461 0.355 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1627713566 IPBICQHLDDUXQM-HZPDHXFCSA-N 442.335 0.477 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 1632961349 WRXJGUYUHPHDLF-UHFFFAOYSA-N 431.268 0.583 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 1643372670 WLGIJZOJQHNGRX-CYBMUJFWSA-N 430.324 0.828 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)c2c[nH]c3ncc(Br)cc23)c(=O)n1CCO 1653037283 VHVIEPWBMMNQSX-UHFFFAOYSA-N 432.234 0.704 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2F)CC1 1660464293 SLRMHRGAJWESDJ-UHFFFAOYSA-N 425.482 0.448 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1687876246 XHVIKHUAMHWLRG-UHFFFAOYSA-N 425.493 0.114 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1690485049 KIBQVZQYKGMMQZ-CABCVRRESA-N 426.543 0.279 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1696676027 GBKZZGVNVKSILT-HXUWFJFHSA-N 439.501 0.793 30 10 ICEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705654313 DAGZLDDCCALCDJ-QGZVFWFLSA-N 435.513 0.330 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366937 UAJAZKOFYCAHFP-SFHVURJKSA-N 444.561 0.759 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1722672163 LLUSDEIFVDIVHH-AWEZNQCLSA-N 439.567 0.998 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722701754 CDMODHBNJUPMOJ-JOCHJYFZSA-N 437.504 0.993 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](COC)C1 1722730402 QPPSYWNINAMEHX-MRXNPFEDSA-N 425.555 0.864 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740622542 ZGBVKVAWKVZGCH-SFHVURJKSA-N 446.577 0.633 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1740706300 VPOTVKFBHFBKSU-ICSRJNTNSA-N 444.580 0.716 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740947328 XJLUEEGEOVGHNQ-CQSZACIVSA-N 431.584 0.664 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1=O 1748046652 BLCVPJOTPACLTC-FGZHOGPDSA-N 437.504 0.909 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1749600448 YZKZGWXMLKDHDC-CABCVRRESA-N 432.568 0.254 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760227861 ONFCQNNXRKBGFB-VQIMIIECSA-N 425.555 0.814 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1760441126 YLGPTBPKVIKKLJ-INIZCTEOSA-N 426.543 0.246 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1760521336 QABBHFXGMOQSEC-AWEZNQCLSA-N 429.481 0.413 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1760528556 GQHBONHUXRTVOZ-ZOCZFRKYSA-N 432.525 0.480 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1771356271 DEAJJCSWNKOOIO-UHFFFAOYSA-N 428.518 0.968 30 10 ICEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560910 QJGARTWMGRYCTD-UHFFFAOYSA-N 437.544 0.910 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)n1 479388987 CYVORRYBTVXMGY-OAHLLOKOSA-N 428.514 0.520 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506924526 ZRYLENPQCPQHHU-IBGZPJMESA-N 449.515 0.879 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 514223051 SZBOMQSHSQNQEA-SFHVURJKSA-N 446.529 0.071 30 10 ICEE C[C@H]1C[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 531139738 ZBFANLYHNRNBDZ-PKOBYXMFSA-N 433.578 0.806 30 10 ICEE CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2)c1=O 589161337 RJURBOINBHHNIC-UHFFFAOYSA-N 449.529 0.470 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 603797471 LODXUOJMNROEAF-UHFFFAOYSA-N 438.553 0.367 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 604182404 HBQXXYFAFLUTPO-UHFFFAOYSA-N 445.564 0.527 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669806019 NRBRNTMXJDTAMR-AWEZNQCLSA-N 436.542 0.508 30 10 ICEE C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 777515074 OKMRTQYYROTEGP-UHFFFAOYSA-N 446.323 0.502 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802142530 CDJSQXVNDBTXPZ-DNTCVELPSA-N 427.461 0.492 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C[C@H]1CS(=O)(=O)C2 1134056996 XWXILUBCJKFXRT-BONVTDFDSA-N 437.279 0.435 30 10 ICEE C=C(C)Cn1c(SCC(=O)N2CCN(S(=O)(=O)NC)CC2)nnc1-c1ccco1 1140608027 GTFFQFICFNYHOQ-UHFFFAOYSA-N 440.551 0.815 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1295083233 BJTVCARUSBKCHW-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1300671179 DNLWQMWMAYRNFP-QGZVFWFLSA-N 439.582 0.377 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC=C)CC1 1300698730 ZJLMBGCXZDAOLF-UHFFFAOYSA-N 446.533 0.362 30 10 ICEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300746137 PXVJWXMMNFIJRJ-CQSZACIVSA-N 445.936 0.507 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCn2ccnn2)c1 1358902436 OKVYKMQCQMOWSZ-GOSISDBHSA-N 447.503 0.967 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1358960390 DETOAYYDSPPZLR-KRWDZBQOSA-N 440.533 0.646 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1359024392 MAKCYKBWRQWMKN-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C=CCOc1ccc(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1444636844 JOIOSJMSIWTIAC-SFHVURJKSA-N 435.546 0.241 30 10 ICEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1465094414 FGWXJOQOOYHWNC-UHFFFAOYSA-N 429.458 0.672 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508139167 DKJMKAHRWQRIET-HXUWFJFHSA-N 430.534 0.966 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1510217512 HMTZTRMXXNWLEJ-GRDNDAEWSA-N 443.599 0.054 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1539216421 RNMSWNXLCLICOG-INIZCTEOSA-N 426.506 0.567 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1541071274 PEZLRMGBZLLEMX-ZDBRSUKYSA-N 445.524 0.443 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588029389 HFIXQGBOTVKGNI-INIZCTEOSA-N 437.566 0.451 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1589070930 ZETIPMYVBUBXMA-JKSUJKDBSA-N 428.580 0.788 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1643372675 WPOAWGTVZHFQHC-OXJNMPFZSA-N 440.566 0.635 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 1681226069 BSYMSNMVKBIVGK-PMUMKWKESA-N 428.511 0.345 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1689930064 KELYHVIWQJGFNV-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689977949 HSNOJFJXXMLSOT-SJORKVTESA-N 438.598 0.773 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1690345924 HDLRQAWWQORZJP-STQMWFEESA-N 432.934 0.078 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1690622216 KWWOLMPDALYBMD-IAGOWNOFSA-N 441.554 0.943 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705516803 JBGIWWKBSJPIEQ-SJORKVTESA-N 438.575 0.610 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1705637198 MWBWNERBCDSTHF-UHFFFAOYSA-N 444.561 0.744 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCOCC2)CC1 1705641559 KFNDERHORCTWRQ-UHFFFAOYSA-N 429.569 0.267 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705897749 SOYCEVNZGWKAQI-MRXNPFEDSA-N 436.557 0.999 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705899137 JAQBHYFOFJBHFS-UHFFFAOYSA-N 436.513 0.858 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705904603 SZBUIPZACIDCCO-UHFFFAOYSA-N 433.557 0.743 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722322943 YZVWBFHBJKZGGP-HNNXBMFYSA-N 425.497 0.459 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCCS1(=O)=O 1722385827 MGKUVSVNCFBHOV-UHFFFAOYSA-N 443.529 0.974 30 10 ICEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722606948 WVDPJUKQBRREGB-UHFFFAOYSA-N 445.568 0.930 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722725083 DZQQIBOCOYBZSX-UHFFFAOYSA-N 446.577 0.756 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740719360 CXDFEGMTCLOUSS-UHFFFAOYSA-N 445.593 0.168 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1741119388 MSRRVXYXWGRUIK-KRWDZBQOSA-N 446.533 0.878 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1748669096 APJIJDAPRSIGLE-CVEARBPZSA-N 425.449 0.671 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748817894 SENVVRZDWUQIOO-CABCVRRESA-N 449.499 0.730 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749086423 KVVFPKOYXYBAEF-NHYWBVRUSA-N 447.359 0.656 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749669711 JLPNAEXUHYXPOV-LSDHHAIUSA-N 431.497 0.295 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760190060 NWNOLXSLTKVUPB-LJQANCHMSA-N 439.545 0.981 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760190249 ZGTDCDUHMSPLIS-OAGGEKHMSA-N 437.591 0.999 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)nc1 1760288474 DBSHYEAMLJYTCF-ORAYPTAESA-N 431.522 0.423 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760514537 ITLVXOOJNPVZLM-AWEZNQCLSA-N 435.529 0.776 30 10 ICEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769333238 VZWIBJDCDZTAKF-MRXNPFEDSA-N 441.540 0.548 30 10 ICEE COC1CCN(C2CN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4C(=O)CC#N)C2)CC1 1856935035 YMHMWABHOBYFKC-UHFFFAOYSA-N 432.502 0.500 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 488860797 XFAWVGOZZVSTJZ-KBPBESRZSA-N 446.526 0.358 30 10 ICEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508801252 KTUGNJSRUVCYMQ-UHFFFAOYSA-N 440.533 0.876 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 508823133 BUESNRBCFAZLDP-QGZVFWFLSA-N 435.554 0.915 30 10 ICEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 541801999 SCUANGSQFMERGH-UHFFFAOYSA-N 430.511 0.742 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 603989519 BFUMGQJHKOGFTO-HNNXBMFYSA-N 441.509 0.845 30 10 ICEE C#CCN(C(=O)CS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 729334516 RNLHMOKGIWFERN-ZDUSSCGKSA-N 434.333 0.872 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 753753918 RBEWJNRTYIZPTJ-BBRMVZONSA-N 449.558 0.907 30 10 ICEE CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)c1=O 916774834 FPQIAUKUUTVWOI-UHFFFAOYSA-N 426.454 0.701 30 10 ICEE C#CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1265210980 XRVBPLOCDZIMTD-UONOGXRCSA-N 441.303 0.648 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CCOC)CCC2)CC1 1286471055 GQHVRIMHDLNAHA-KRWDZBQOSA-N 438.598 0.850 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)CC1 1286481918 YSIKRFUMEYCIRF-XMSQKQJNSA-N 443.573 0.843 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286819776 VPCRRLDGAIZHMN-HZPDHXFCSA-N 433.538 0.905 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286823317 UKLXABOFCZPSJW-UHFFFAOYSA-N 445.611 0.692 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)N2CCOCC2)CC1 1300719213 RTLDEUIYPXEOMW-UHFFFAOYSA-N 436.516 0.770 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301496440 APCHPIISVYTFDY-SFHVURJKSA-N 439.520 0.778 30 10 ICEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965898 DHGZTQVJVSMFJI-KRWDZBQOSA-N 445.545 0.880 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359297756 ASMKAVXZIXQCDI-UHFFFAOYSA-N 449.519 0.406 30 10 ICEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)C2)c(F)c1 1456722019 BZRVWLSVKDZUIR-XAHBDIOTSA-N 448.520 0.851 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cnn(C)c1 1472035995 QNYWTZZVEWDUOA-DOXZYTNZSA-N 437.522 0.725 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 1476573391 NYGCNPXUECEXBQ-UHFFFAOYSA-N 426.296 0.938 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507662799 OJUPTYOCVFOWNS-FQEVSTJZSA-N 443.485 0.866 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCO1 1508373822 DOZSSQIQSHFZHB-IBGZPJMESA-N 435.492 0.840 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539413534 LYAFVIMPOBPIRG-IAGOWNOFSA-N 425.555 0.887 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540901413 CNCPBRZDASAFTP-HNNXBMFYSA-N 439.563 0.873 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(C)=O)CC1 1540902250 FAAYXSDVKQVUAJ-KRWDZBQOSA-N 425.555 0.832 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595523571 ZALRGHRMBZLBQA-UHFFFAOYSA-N 432.488 1.000 30 10 ICEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1595530280 ZHIVRXWSSVBUCX-UHFFFAOYSA-N 428.518 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1595796654 AWLSYWUNUTYOPI-OAHLLOKOSA-N 441.554 0.114 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCN1CCCC1 1611711536 PQUIZLJXAOWCOO-SJORKVTESA-N 439.586 0.883 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCOCC1 1626100555 HLKPVPSDOANCCB-INIZCTEOSA-N 436.534 0.223 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCOCC1 1626100556 HLKPVPSDOANCCB-MRXNPFEDSA-N 436.534 0.223 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1644285031 FYNSEBCUSMABJP-HZPDHXFCSA-N 428.555 0.634 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1690076998 GKMMCSRJHZQLAA-INIZCTEOSA-N 434.522 0.522 30 10 ICEE C=C(C)COCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690320347 RACGEHJBYUHHBR-LJQANCHMSA-N 443.570 0.605 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690666951 LZNSXDMCMZABSW-UHFFFAOYSA-N 437.548 0.956 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690674663 AMDTXRHWDYTMBV-MRXNPFEDSA-N 435.554 0.455 30 10 ICEE COc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1697522643 DNAMPFNGSAHCCO-CZIZESTLSA-N 437.460 0.416 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705599518 ZZIHNDZUHVOBPR-HOTGVXAUSA-N 425.580 0.825 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705930471 OBKJSWXZWVGNIK-OAHLLOKOSA-N 433.600 0.864 30 10 ICEE CCOC(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1710363076 PQFBLTBEKKFCLQ-FBMGVBCBSA-N 429.481 0.960 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(C)CN(C)C1=O 1710729781 IQOFLFIAPGUJSG-OAQYLSRUSA-N 441.540 0.533 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1710873090 GPPWJTNPGULQSB-INIZCTEOSA-N 437.547 0.875 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2=CCCOC2)C1 1712706265 JDPHCVZUPQZOGK-CRAIPNDOSA-N 440.501 0.400 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1722294845 ICKRKOICEQQCDT-XFNCPJSQSA-N 445.611 0.616 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722369459 ZPKRKWOPBMPYPS-GOEBONIOSA-N 426.564 0.607 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1722672252 MXUDFHWCXLZTGX-QGZVFWFLSA-N 435.554 0.995 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722696699 CRHHJBPAEUHVLG-MRXNPFEDSA-N 438.554 0.089 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1748905238 AKUSVHLSUSEWFP-MRXNPFEDSA-N 426.587 0.583 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCOCC2)CC1 1749015603 YNKNBJMKDNSGRS-FQEVSTJZSA-N 444.580 0.860 30 10 ICEE C=CCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749439617 FCFWOJVABHIBFV-HRAATJIYSA-N 432.525 0.432 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCS1(=O)=O)C1CC1 1749508223 LHYAMVFMIJWHGY-ZDUSSCGKSA-N 432.572 0.079 30 10 ICEE CC(C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760914827 LYQBLRCHRWOOKM-HTXNQAPBSA-N 442.524 0.922 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(C)cc2)C1=O 1854241587 OOOQWJWDYTYVLV-ZWKOTPCHSA-N 433.530 0.615 30 10 ICEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cnc4[nH]ncn4c3=O)sc2c1 1866225096 UVTKYCGWTGJMOK-UHFFFAOYSA-N 431.459 0.744 30 10 ICEE Cc1c(S(=O)(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)c(=O)n(C)c(=O)n1C 1892136418 IFDATSDVEKYBJG-HNNXBMFYSA-N 433.490 0.139 30 10 ICEE Cc1c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255631257 WDJCAPWHLAPCLY-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cn1ncc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2255829951 XTNPUDODDQWMLP-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)C2=O)n(C)n1 409904467 DYIUPXBIPJLIEK-CVEARBPZSA-N 425.497 0.093 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 460796108 DWCQWAVDBGUFFG-CQSZACIVSA-N 432.550 0.508 30 10 ICEE COc1cc(N2CCN(CC#CCN3CCN(c4cc(OC)ncn4)CC3)CC2)ncn1 517190613 SDYJJRHEEMNBFQ-UHFFFAOYSA-N 438.536 0.231 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 549167772 GXHNHXIFFRCBCC-UHFFFAOYSA-N 427.593 0.949 30 10 ICEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1F 569542807 MAUWXBOQZCTWSV-UHFFFAOYSA-N 429.473 0.805 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncnn2CC)cn1 794441155 MHRQKPDDQSCWPH-HNNXBMFYSA-N 447.569 0.714 30 10 ICEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C)[C@H]1CCS(=O)(=O)C1 809829503 CLQNXCKTKLCVFY-AWEZNQCLSA-N 436.563 0.710 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn3ncc(Br)c23)CC1 1175524156 WYBAVZQMEADJIR-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286390732 BOEYNPILURDROP-ARFHVFGLSA-N 444.579 0.089 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286399133 ZIMKEUKPBCWQCV-KRWDZBQOSA-N 435.536 0.990 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1286467709 UAWPOAAEVKOUMW-DLBZAZTESA-N 438.550 0.809 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 1286482058 ZJWMYCFHGQUCAR-GOSISDBHSA-N 434.610 0.810 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)CCOC)CC1 1286485530 PADVNSOTFZVSFP-OAQYLSRUSA-N 434.541 0.170 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286832448 LDBMTULGNZLKTN-KBXCAEBGSA-N 425.580 0.958 30 10 ICEE CN1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1298893134 OABBTGHDRIYUMT-DQRAZIAOSA-N 449.515 0.868 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC[C@@H]1NC(=O)NC1=O 1300319832 DJTNEICKWMELAM-OLZOCXBDSA-N 429.506 0.716 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300478804 BXGAFFMPQMGCFX-OAHLLOKOSA-N 432.506 0.486 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1300488767 WESPMIKGQTVRLE-IBGZPJMESA-N 440.529 0.846 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccco1 1300779706 FCZDPQHGWUCIPG-AUUYWEPGSA-N 434.522 0.903 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1301497118 OWQLRYGGQQFYFZ-UHFFFAOYSA-N 443.508 0.613 30 10 ICEE N#Cc1cn(C2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C2)c(=O)nc1O 1305589122 CQJDCNAEMBZGRV-UHFFFAOYSA-N 449.514 0.293 30 10 ICEE CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1314486733 JOZIVWIYCJPOBK-MRXNPFEDSA-N 426.543 0.778 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1=O 1316127683 ZBUXHIOJJXPSRX-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNS(=O)(=O)CC 1359004590 CHTKBXVUSYKYIW-UHFFFAOYSA-N 429.510 0.320 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(N)=O)cc2)CC1 1359030213 QPNIVFDNNDGDDL-QGZVFWFLSA-N 426.521 0.905 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](Cn3ccnn3)C2)CC1 1460469978 UQHFYMMGKHCYOY-UXHICEINSA-N 427.484 0.527 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462825137 UOSRQXZPWKGQDZ-LBPRGKRZSA-N 446.938 0.738 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1466320302 WAVRDKNRVSWLOJ-ZQDZILKHSA-N 430.523 0.891 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1507537757 JEKNHSUYYXKCOD-HOCLYGCPSA-N 431.518 0.551 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cnnn2C)c1 1507546200 DUWGGLZMYNPELV-UHFFFAOYSA-N 447.503 0.747 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507632263 KHKIOTAEHCPKPL-HOTGVXAUSA-N 440.591 0.997 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNS(C)(=O)=O)CC1 1507717460 DOFNHUYLFFSZSN-UHFFFAOYSA-N 448.549 0.267 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@H](C)CC 1507980603 HNNPRPWECHWETB-HUUCEWRRSA-N 428.559 0.538 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1508125777 IUHSAOOXZVTQMQ-XLIONFOSSA-N 433.534 0.595 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3cccc(OCC(N)=O)c3)CC2)c1C#N 1511661046 CBNBBWLUGDCRRC-UHFFFAOYSA-N 449.519 0.739 30 10 ICEE CCS(=O)(=O)NCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1516850596 IAKCUZHORRDMTC-ZWKOTPCHSA-N 444.533 0.700 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)Cc1cccc(F)c1 1539149871 WCNOKZVPBZVUIQ-AWEZNQCLSA-N 436.513 0.456 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)C1 1540891841 AGKZXPAVIJVTKL-BRWVUGGUSA-N 426.539 0.767 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540905679 YPOSYCOINMONSJ-MRXNPFEDSA-N 432.550 0.922 30 10 ICEE C#CCN(C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 1543463138 RUTVLYAASWPNMG-OAHLLOKOSA-N 439.538 0.846 30 10 ICEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547261502 LACOVYFMGNEPIJ-WDYCEAGBSA-N 431.541 0.705 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1552888692 ZMFNZMYVOBWFDR-KRWDZBQOSA-N 439.473 0.339 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c1 1570297379 DYYPCYCEHRUPEX-UHFFFAOYSA-N 425.513 0.778 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1595602123 FJULZLJIRLHMDO-QFIPXVFZSA-N 441.536 0.954 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCCC2)C1 1620170588 GJXLYHTVRGGKPX-RHSMWYFYSA-N 442.517 0.358 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1643412106 RMQRBTKOZQRFBG-HNNXBMFYSA-N 434.495 0.563 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc1 1665969520 OJTXCMAYECQIIH-OAHLLOKOSA-N 431.536 0.770 30 10 ICEE C#CCN(C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)[C@H]1CCS(=O)(=O)C1 1682496710 GOISYCYMORNAGU-HOTGVXAUSA-N 429.539 0.844 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NCC)CC1 1705664707 YMGFJWVENCYPTR-UHFFFAOYSA-N 433.582 0.025 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O 1705700213 QFFVDVBTENMAJT-ANQUJSFKSA-N 425.555 0.862 30 10 ICEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1705877745 CIMCINOQPLIKIJ-KRWDZBQOSA-N 442.549 0.987 30 10 ICEE CCN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1709905161 AIOGFMSIAVVXPC-KRWDZBQOSA-N 439.524 0.659 30 10 ICEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1710467963 PZGNTHRKRJQDAF-RBUKOAKNSA-N 440.570 1.000 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)CC1 1722438021 RRAUMIXDJKQEBX-SFHVURJKSA-N 444.561 0.165 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722461742 PSUKSFKGWWLFTR-LSDHHAIUSA-N 445.636 0.919 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1741005873 UOESAAITDJJIOZ-UHFFFAOYSA-N 444.565 0.906 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748773295 WEFVCBSEUUZAEQ-HUUCEWRRSA-N 447.569 0.458 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1748805073 NTIKQUFGURFIDK-GOSISDBHSA-N 436.559 0.806 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1748929869 RJBFMQUFIVOGAS-BBWFWOEESA-N 425.555 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCOCC2)CC1 1749010784 XFTFWSDABBRPDK-HXUWFJFHSA-N 444.580 0.860 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1751195526 NUPKAEQFMVWACV-JCGIZDLHSA-N 448.549 0.936 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751983198 NYMAOXUUBXCDLX-MCYOWCNASA-N 443.508 0.365 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1760248892 FNVFRSGHYOZANX-QGZVFWFLSA-N 431.518 0.413 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC(=O)N2)n1 1760251537 CAWLXIXWHUVCIT-SJLPKXTDSA-N 427.509 0.891 30 10 ICEE CCn1cccc(C(=O)N=c2nnc(CCC(=O)Nc3ccccc3C#N)c(O)[nH]2)c1=O 1860853162 YQZWLLODVAKOBU-UHFFFAOYSA-N 433.428 0.876 30 10 ICEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562137 OWAOITPSGLIXSV-IAGOWNOFSA-N 428.537 0.981 30 10 ICEE CN1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2267139257 DHGVZIAOFNOQCL-LLVKDONJSA-N 445.251 0.144 30 10 ICEE CC(C)N(C[C@@H]1CCCN(C(=O)[C@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089801 FFCZTGHLFGRVDJ-SJLPKXTDSA-N 448.373 0.582 30 10 ICEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 471928505 AODMEZMWZNHNKI-CYBMUJFWSA-N 427.426 0.830 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 492335756 IVFHKIBLVBAEDI-QGZVFWFLSA-N 428.489 0.466 30 10 ICEE Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n(C)c1=O 499390354 TYKBCKKSEZZQEE-ZDUSSCGKSA-N 445.277 0.967 30 10 ICEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730144640 PKICSKBXGQKKEA-GALDBLJUSA-N 441.579 0.222 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 732467725 XENZTLPCZSIKIK-ISLYRVAYSA-N 433.415 0.959 30 10 ICEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732649259 RNRXFQXRIMLNAG-KRWDZBQOSA-N 434.518 0.528 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 751734045 NSPWNIZJXQHVBH-UHFFFAOYSA-N 432.458 0.713 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)CC3(C#N)CCC3)ncnc1-2 790017637 RZXMBKUAIYKGEF-UHFFFAOYSA-N 428.316 0.524 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H](C(F)F)C2)CC1 801566358 BLOOLTPEZMAJLU-HNNXBMFYSA-N 428.461 0.357 30 10 ICEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccncc1 1084030079 GHHQSBJTIYFQGY-UHFFFAOYSA-N 426.466 0.471 30 10 ICEE C#CC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1161365175 PJCDMSXWKRPIJB-SCLBCKFNSA-N 436.262 0.897 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)CC1 1204189568 XGWWYLUZXOOVIG-UHFFFAOYSA-N 435.506 0.187 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1233928325 OWDKWXCRZSZBJP-INIZCTEOSA-N 437.518 0.902 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)c2)CC1 1300683798 SZYIYFWRTWUNKU-INIZCTEOSA-N 434.570 0.010 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300813772 QPZQFECROITVBF-OXJNMPFZSA-N 434.566 0.674 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301477599 CMUGENGWYAKWTR-QGZVFWFLSA-N 444.540 0.810 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)C1 1302978924 LWRKPMHNQDAUIK-RVKKMQEKSA-N 427.502 0.818 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1314541285 ALOHNHNYXIVLEH-CVEARBPZSA-N 426.543 0.920 30 10 ICEE CO[C@@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCS(=O)(=O)C1 1350732720 ARGLPIKUCAFIGV-BYFYWULKSA-N 429.520 0.642 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955084 DKBMQRGRLBKDJR-GVDBMIGSSA-N 437.566 0.858 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359179305 QXRLYQODXCSNQT-GJZGRUSLSA-N 436.538 0.571 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1360189707 XFILVGJPVZBUKE-PDRMZZPLSA-N 431.497 0.556 30 10 ICEE N#C[C@]12CN(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1478508125 WCHUJNKXNJTQJN-WAOWUJCRSA-N 430.530 0.800 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1504936632 BUKWKJXYCSUWGK-QGZVFWFLSA-N 441.536 0.736 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507626629 OHJSLUNEWUHUGI-UXPWSPDFSA-N 440.566 0.718 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)CC1 1507722147 QDQCVRRTKZLZEZ-OAHLLOKOSA-N 449.606 0.809 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539222439 WARLTTXPFBLNER-XWTMOSNGSA-N 438.550 0.339 30 10 ICEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1548185430 SVGJGKTYIWDQSK-ZACQAIPSSA-N 438.554 0.748 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1583847794 FCVJCSCDDIOMMF-UHFFFAOYSA-N 447.455 0.574 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1 1588281110 YLDFPOFPXMYLCX-UHFFFAOYSA-N 429.510 0.227 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C 1588672964 JGLQTEYMJVLKEH-FOIQADDNSA-N 433.534 0.896 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CC2)N(C)C)CC1 1588876549 CMHCIJQFAWEHIA-IBGZPJMESA-N 441.580 0.820 30 10 ICEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2=O 1617481419 USFBQNXSPALVAO-BBNYVJOESA-N 436.534 0.520 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CCO1 1620354921 DSEHAVJHPXQRAF-OWCLPIDISA-N 425.511 0.105 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)CCOCC(F)(F)F 1623373599 RQCLZQCFBJJWTK-UHFFFAOYSA-N 437.440 0.905 30 10 ICEE N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cn1 1623707730 JMHAMZWDQDWJBB-UHFFFAOYSA-N 442.501 0.332 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@]1(O)C(=O)Nc2ccccc21 1633499800 BFJYZVBURUGWIA-NRFANRHFSA-N 442.497 0.852 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NN1C(=O)c2ccc(Br)cc2C1=O 1643792359 PFKCRGXOULKTGV-CCEZHUSRSA-N 433.218 0.993 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 1671918763 XREGYIBVSXRPKQ-NSHDSACASA-N 425.458 0.850 30 10 ICEE CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 1679661095 BPXXGAIFJQXZKM-UHFFFAOYSA-N 431.316 0.414 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1690076883 DCFPEPWSCYKKHP-HNNXBMFYSA-N 449.562 0.828 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1690103893 ITXQFDASTGFPJM-MRXNPFEDSA-N 437.566 0.573 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690668126 UBWHPQDBDRYIOV-QGZVFWFLSA-N 442.568 0.623 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1705510314 PBERKZOBMBBWRU-INIZCTEOSA-N 432.554 0.808 30 10 ICEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705517340 UANXCSUUIDPCBJ-GOSISDBHSA-N 444.536 0.093 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705566415 NZCWUFVPVVPVQI-GOSISDBHSA-N 425.518 0.943 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705624863 RKROXKNHGXRXTG-HXUWFJFHSA-N 429.502 0.452 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705637828 NIPPOOQESNXBDO-HXUWFJFHSA-N 439.612 0.707 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705934285 HWLPBQUNNLXFJI-YZVOILCLSA-N 439.538 0.214 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1722384017 MAXQCASMOOEXIV-QGZVFWFLSA-N 435.550 0.643 30 10 ICEE CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1729147312 VLVMXZKMYNUTRC-INIZCTEOSA-N 438.510 0.597 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1740551203 KRJMRKSKELRJQN-CABCVRRESA-N 440.570 0.231 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1740657404 RPRNKIBILMXOFB-HNNXBMFYSA-N 434.547 0.579 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1=O 1748046654 BLCVPJOTPACLTC-YADHBBJMSA-N 437.504 0.909 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1748671986 OZMKDBCRTBCAEB-HOTGVXAUSA-N 442.611 0.118 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1748859566 UWYOJTLSZQTGEL-KRWDZBQOSA-N 433.559 0.988 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760099692 KGJKTWBDCOMMJS-FRQCXROJSA-N 425.555 0.812 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1760110849 HVCNCHHKBAADGQ-CJNGLKHVSA-N 448.487 0.638 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1760249703 QSYFBRXRTJKCTH-QGZVFWFLSA-N 433.534 0.322 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(OCC(N)=O)CC1 1760524905 NEDQDEDLWAKRKO-UHFFFAOYSA-N 426.521 0.950 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760547131 DXNMUUJPSOVPJW-DLBZAZTESA-N 436.582 0.788 30 10 ICEE Cn1nc(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 2312862917 RODJZWQHFQEVNV-UPJWGTAASA-N 433.318 0.852 30 10 ICEE C=CCNC(=O)CN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 29075131 ILWSHXDUXXWNGP-CQSZACIVSA-N 433.465 0.310 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C#N 479379818 PLXKLFOHFKDZQI-UHFFFAOYSA-N 443.488 0.980 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 501235839 OTZBMAGFIHJDHV-UHFFFAOYSA-N 437.298 0.742 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c1 530825703 BKFRKRPIFGUKDD-UHFFFAOYSA-N 430.534 0.969 30 10 ICEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 538183457 HMKPHNBJFSUPSQ-SJORKVTESA-N 449.533 0.210 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCCCO2)CC1 559187518 VRRKOVREBIHOKD-QZTJIDSGSA-N 434.541 0.359 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 603923115 OEMFBHXPWBUOIF-AWEZNQCLSA-N 435.452 0.939 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 677958322 BZYCOFYWMRWANQ-UHFFFAOYSA-N 436.415 0.681 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 732467726 XENZTLPCZSIKIK-ZCXUNETKSA-N 433.415 0.959 30 10 ICEE COc1ccccc1NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 749904093 GWLPZULBKCPRDR-UHFFFAOYSA-N 429.502 0.975 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768416528 HZMGIGPXJDKWJN-QGZVFWFLSA-N 439.545 0.996 30 10 ICEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cn1 771553861 ROJDISYNHWXUHS-CYBMUJFWSA-N 430.494 0.457 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 917768824 TVNBTGUVPKAEPK-MRXNPFEDSA-N 441.557 0.846 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1158229691 FIOJGMCWGRWMTM-KSSFIOAISA-N 425.532 0.652 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OC)c(OC)c2Cl)CC1 1228975573 ZEDNDZHFFSALBI-UHFFFAOYSA-N 444.941 0.695 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1286429511 CBZFCOICKVKOIZ-OTWHNJEPSA-N 449.577 0.625 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286780654 HEURFXAXSJUXIS-MRXNPFEDSA-N 433.557 0.707 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286820137 FQBKBPDGYCKBAX-DLBZAZTESA-N 436.538 0.485 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)n1 1304762016 BLOKOJXTFNHULR-LJQANCHMSA-N 441.584 0.895 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965073 NHUBVQKZLOKPHD-QGZVFWFLSA-N 430.534 0.369 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358967238 GLGRTMHVTSUDAB-IAGOWNOFSA-N 438.550 0.688 30 10 ICEE C=C1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359163492 HHHOBKRYDUOQTE-UHFFFAOYSA-N 430.494 0.999 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)n(Cc2ccccc2)c1C 1473820530 BMAMYVZFKOGURJ-GOSISDBHSA-N 442.545 0.798 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1507582215 DUDGTPGDNZCOOX-UHFFFAOYSA-N 427.509 0.629 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1507759393 GVHSYIWKZOGKDK-JOCHJYFZSA-N 427.553 0.670 30 10 ICEE CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552436145 UYLFWKABRUMSDZ-DHMKHTPVSA-N 429.506 0.533 30 10 ICEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1555528445 DILPTLPGZQYOOC-KRWDZBQOSA-N 441.536 0.974 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1588149571 XDGNXGPPCZMQGN-UHFFFAOYSA-N 431.500 0.872 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 1631406660 KYEFTQLJMIQKNM-UHFFFAOYSA-N 426.498 0.940 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1632965864 FKVNYHHYKXPODG-DNVCBOLYSA-N 444.554 0.061 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1683734373 IPVGLGPASDTNAQ-GOSISDBHSA-N 439.559 0.253 30 10 ICEE CN1C(=O)C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1ccc(F)c(F)c1 1685336005 BQZJUSBVEBMOAR-FAAYRAOTSA-N 438.456 0.816 30 10 ICEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689886809 HNESLQUNBOZJPW-UHFFFAOYSA-N 434.508 0.787 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689986414 PHGIHQLAAOFINU-AWEZNQCLSA-N 440.522 0.756 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690609469 PJMLBMGKVLLWTF-INIZCTEOSA-N 440.570 0.434 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690665801 PWNZQRDUFDMHIT-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705936182 LEVXALHGNATMDH-QGZVFWFLSA-N 448.549 0.777 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1722671422 SDGBFEIQACGMDV-OAHLLOKOSA-N 440.595 0.786 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1740623581 WYUAIOYBIPKVIW-DLBZAZTESA-N 436.582 0.588 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1740995744 WGIKWUJMANBFCF-AWEZNQCLSA-N 438.554 0.649 30 10 ICEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749809127 DBALNRMRZATCOW-APWZRJJASA-N 438.529 0.881 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1750907858 GWTHHNCOOSPGIP-UHFFFAOYSA-N 437.504 0.515 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)NC)CC1 1760271929 RKVXWMHMLRNESA-UHFFFAOYSA-N 438.532 0.979 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1760565857 GDUAJPLYEHZJOK-HUUCEWRRSA-N 442.567 0.259 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1760695412 GWZXRBACMFGKSN-RDBSUJKOSA-N 448.496 0.631 30 10 ICEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1770801472 DOGHMWWWJWZEIC-HZPDHXFCSA-N 429.456 0.927 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1771361770 PFLRMRHYCMRYMM-UHFFFAOYSA-N 448.549 0.973 30 10 ICEE N#CCCN1CC[C@@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)C1 1855074384 SDHANJLCYFKEOW-QGZVFWFLSA-N 436.509 0.648 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593636 KSGFQZHZZBEOOB-KURKYZTESA-N 445.516 0.359 30 10 ICEE N#Cc1ccccc1N=c1nc(N2CCC(C(N)=O)CC2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871730388 ANNGFXWMHLTXEX-UHFFFAOYSA-N 449.519 0.312 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204890744 QRRQDOHNZAEWEP-GDBMZVCRSA-N 437.371 0.850 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 409666595 OOGHPCBHZPZJIK-KSZLIROESA-N 433.534 0.676 30 10 ICEE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 433003764 AXTPCGSXDRQAOM-ZDUSSCGKSA-N 429.296 0.336 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)c1C#N 472103667 HYPTWYRXNCFFST-GOSISDBHSA-N 430.557 0.375 30 10 ICEE C[C@H]1CN(c2cc(N3CCN(CCO)[C@@H](C)C3)c([N+](=O)[O-])cc2C#N)CCN1CCO 577522617 OYPXYNNFRRXSSV-IRXDYDNUSA-N 432.525 0.472 30 10 ICEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nc2c1c(O)nc(=O)n2C 606629529 AMOOERVNDHPYSK-IEEVUCOHSA-N 443.420 0.753 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 731860968 CNCSMRBIMZHRIK-UDJKBAMHSA-N 432.502 0.730 30 10 ICEE COc1cccc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 732465480 GKQVNFOAGUZLMI-HNENSFHCSA-N 427.461 0.689 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1F 747340985 QXPTVEJDJWFMJF-MRXNPFEDSA-N 425.482 0.800 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 751731324 NROSVZWIYVRWGR-UHFFFAOYSA-N 430.486 0.728 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)c1 751923681 IZMJZPLSDPOUTF-PBHICJAKSA-N 429.546 0.802 30 10 ICEE O=C(CN(C[C@@H]1CCCO1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 765198405 ACTPVLIYTWOJFF-INIZCTEOSA-N 448.545 0.745 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 771126093 SEACYESQDXZESR-MXVUGKIDSA-N 437.522 0.604 30 10 ICEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)[C@@H]1CCCO1 776225214 AFNCFYRTTKGRKP-OTWHNJEPSA-N 428.537 0.732 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781654614 UJLQOISYONAZMY-UHFFFAOYSA-N 430.530 0.604 30 10 ICEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)CC3(C#N)CCC3)cc2)CC1 790024491 JQRDMNIIOULGCK-UHFFFAOYSA-N 441.531 0.806 30 10 ICEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805875615 ZAGKDHLHFXUCIA-YOEHRIQHSA-N 438.481 0.912 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 917356846 UKIOTXDKFWNPSK-INIZCTEOSA-N 443.573 0.859 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1213385536 VGUKYQFCULHWNS-ACJLOTCBSA-N 425.463 0.536 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300492826 OWUCRPGEESNTSL-GDBMZVCRSA-N 432.506 0.509 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1300806458 VWDGXWVJGUFRPW-QFBILLFUSA-N 433.538 0.385 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1305115489 BDTSZUSTXHZIST-HNNXBMFYSA-N 435.492 0.658 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCCC)c(CC)c2)CC1 1309802380 STZWEUBGUZLORL-UHFFFAOYSA-N 429.564 0.812 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CCO1 1315014134 BBEGVRSRMRLJEI-RDJZCZTQSA-N 432.456 0.664 30 10 ICEE C=CCn1cnnc1S(=O)(=O)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1319034651 IHRUMSIPZQIPSV-UHFFFAOYSA-N 433.538 0.808 30 10 ICEE Cc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cnn1CCC#N 1355133966 BWZDXSMXCXRXIC-UHFFFAOYSA-N 431.522 0.382 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1479079565 YQOVXQMDSKRNNW-CVEARBPZSA-N 443.570 0.569 30 10 ICEE CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1503423434 FZZIICMBSPVBDN-CHWSQXEVSA-N 439.519 0.316 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1504912929 DAASDDMPWFQSSH-UHFFFAOYSA-N 439.520 0.444 30 10 ICEE CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1515106494 MQUZHZKSAGJEBO-INIZCTEOSA-N 437.508 0.349 30 10 ICEE COCCO[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1519246332 DJQXIPBJVSNLOC-GJZGRUSLSA-N 429.543 0.680 30 10 ICEE C=CCn1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)nn1 1536910252 DAMZLNWVJCGHTN-HNNXBMFYSA-N 431.474 0.718 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539704637 GDZJALKYTFTJTD-JKSUJKDBSA-N 438.554 0.388 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588065180 VQALUJLZASYJTC-GOSISDBHSA-N 444.561 0.807 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1cc[nH]n1 1627476113 WOZOKGLBLSRTQT-NWDGAFQWSA-N 445.398 0.563 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1634499779 HVJGKUGTZKITKO-UHFFFAOYSA-N 428.536 0.422 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1655597299 ICAUDUFDUDYKMY-OCCSQVGLSA-N 435.321 0.897 30 10 ICEE C#CC1(O)CCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1659571153 KOXAVOBAVWERPT-OAHLLOKOSA-N 435.525 0.159 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690714547 ORGYHNXBTOESDZ-BEFAXECRSA-N 441.554 0.401 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1705881503 RAWNQHFSMPIOMU-HNNXBMFYSA-N 434.522 0.999 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705936769 YATWFYCSGAUHHX-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1711026006 BVONMFADOUJLQG-DOTOQJQBSA-N 449.558 0.875 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722351910 LWLAUTWZWSNKQW-SJLPKXTDSA-N 444.561 0.918 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1722641082 WQJQTUGGMYYWJO-KRWDZBQOSA-N 426.587 0.965 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1729687710 ACIQTBGPKCSARD-PGRDOPGGSA-N 440.504 0.841 30 10 ICEE COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1729798040 XLMYQGQBPJQGCK-ZDUSSCGKSA-N 434.478 0.582 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622616 FFJUJVFLSHIDOJ-OLZOCXBDSA-N 449.455 0.782 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740657792 YNFOLYQNMDCKQH-LQWHRVPQSA-N 432.546 0.981 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1748667360 SERSVEYKTUPSLO-KBPBESRZSA-N 426.568 0.066 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1760184157 WBVAIYZCCZFVHH-QGZVFWFLSA-N 430.534 0.681 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1769379679 FODUMJRINSAXSJ-MRXNPFEDSA-N 434.522 0.751 30 10 ICEE COc1ccc(CC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1C 1856860806 HACFNINMPYCCSS-KRWDZBQOSA-N 434.518 0.145 30 10 ICEE C#CC1(N(C)C)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2370091280 SHXGLCCRWHUQQM-KRWDZBQOSA-N 437.518 0.725 30 10 ICEE Cn1c(=O)c2c(nc(N/N=C/c3ccncc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 109744273 HHKLPFPOPZXZSC-SOAGAIGUSA-N 449.471 0.715 30 10 ICEE C=CCSCCNC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 477327640 XBDUPTSAKCHBMX-UHFFFAOYSA-N 427.548 0.904 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCN(CC#N)CC1 486373910 FNWZKVCVDSUMGR-UHFFFAOYSA-N 435.550 0.303 30 10 ICEE CSc1nc(O)c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1C#N 500831710 WRNQINIDGMWXGE-CYBMUJFWSA-N 426.520 0.647 30 10 ICEE COc1ccnc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1 505423048 RUFYJVGTAWOGPB-QGZVFWFLSA-N 449.471 0.911 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 578824738 WDUACLBAEDWOKQ-UHFFFAOYSA-N 433.465 0.524 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 729335925 XOCRTQROGLYPRO-HNAYVOBHSA-N 429.498 0.111 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730140277 VSMDDGAGCUQEBF-AWEZNQCLSA-N 427.477 0.710 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706157 HHRNJVSSVUAPCM-KRWDZBQOSA-N 433.534 0.854 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)cn1 735069623 WVQNHQHHVSNWRI-UHFFFAOYSA-N 448.552 0.936 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CN1CCOCC1=O)CCCC2 790739072 DVXUHRHPKUROPP-OAHLLOKOSA-N 444.488 0.758 30 10 ICEE Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800772075 YTOAILROELCDLD-HXUWFJFHSA-N 434.548 0.950 30 10 ICEE CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802634041 NQOAHYTUCFAHMY-GOEBONIOSA-N 425.559 0.491 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCN1CCOCC1 916201180 GSJIPXHJSVCVKU-UHFFFAOYSA-N 432.452 0.870 30 10 ICEE C#C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1129730975 OVPUAPYJCXPJSN-CYBMUJFWSA-N 430.262 0.687 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)c1 1139111618 QDIUFALVNPHDOD-KRWDZBQOSA-N 436.486 0.004 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286387887 WBXGVABYHGEALH-OXJNMPFZSA-N 435.550 0.698 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286787483 GQTLBXSKKIJRKR-HRAATJIYSA-N 429.525 0.960 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286790464 FMZWGSPNPHJVBY-KRWDZBQOSA-N 431.585 0.912 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1300539056 XCQRLDUVTXICDZ-ZWKOTPCHSA-N 436.582 0.414 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Br)CC1 1300700640 UAAGHBXLIBNCQF-CQSZACIVSA-N 428.356 0.844 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1300700777 WDAHWEKJRMOTNU-SFHVURJKSA-N 448.593 0.242 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1301501547 ZBZNJMQTCUEYIY-CQSZACIVSA-N 425.555 0.876 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2cc[nH]n2)CC1 1359032038 ZAFDIDZEDSRMOL-UHFFFAOYSA-N 449.475 0.762 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1COCCO1 1360675651 FLZFCKPKZPAMAU-HUUCEWRRSA-N 426.543 0.824 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1508084020 FKOCTJULKCGYEF-KRWDZBQOSA-N 436.520 0.924 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COc2ccccc2O1 1510216851 DIHNTRHSUVGULX-KKUMJFAQSA-N 448.505 0.457 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539094180 MKDFQORMPCBASI-ROUUACIJSA-N 437.614 0.518 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539475760 NUDHVPFJLSAEGO-OAHLLOKOSA-N 430.534 0.674 30 10 ICEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1555577938 HDBJDXOCEYANBJ-ZCXUNETKSA-N 445.524 0.397 30 10 ICEE N#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556608008 XESUQXOLERVRMC-WDEREUQCSA-N 432.296 0.521 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 1568994857 FYRYZMFZORHAGC-LJQANCHMSA-N 435.502 0.747 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1587638037 AVXDKOKTPDOTKK-HJUNTIBCSA-N 432.506 0.165 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)COC)CC1 1587807510 FJECFVKEDUVLBW-CQSZACIVSA-N 426.543 0.033 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588069086 HCLDZQBLNCOKIM-MRXNPFEDSA-N 446.533 0.680 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCOCC2)CC1 1588877247 YBNDXRWQBBFWON-ROUUACIJSA-N 446.552 0.039 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589134388 IVELBJRLNZYLSB-JYJNAYRXSA-N 428.580 0.992 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C)C1 1595730062 SVSJOMYFGAGQLA-BRWVUGGUSA-N 442.586 0.342 30 10 ICEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618785615 GRAOZOXRKRFDJB-INIZCTEOSA-N 442.524 0.731 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCCS2(=O)=O)C1 1625971966 RIVGIZYDWGQWGP-UHFFFAOYSA-N 427.324 0.909 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)c(=O)nc1O 1633550831 ZWOHBGQKBAMEOG-VGSWGCGISA-N 437.456 0.986 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)s1 1637077237 SIKOJQPDAQLQMP-OCCSQVGLSA-N 431.536 0.320 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ncns4)CC3)C2=O)cc1 1641149939 ZJRDBTHSDUPFJN-HNNXBMFYSA-N 425.474 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 1680465927 DTZZDMGSMQZFQJ-QGZVFWFLSA-N 449.533 0.291 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1687375520 LKRFXUBWOZBORR-HNNXBMFYSA-N 448.487 0.820 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1689852527 GYNSFRSPWABQTD-CHWSQXEVSA-N 439.567 0.531 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1CC 1689965817 DPJNFCDDZUHNCR-GOSISDBHSA-N 449.581 0.587 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988527 QZTILBOOMPLMAC-CVEARBPZSA-N 435.550 0.673 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690170167 AREMZTTZRRPIKW-RDJZCZTQSA-N 445.593 0.385 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1696477661 FRHWDPZJYQVMRU-UHFFFAOYSA-N 431.522 0.713 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705569555 HTXOIAVIUBYNLM-DYESRHJHSA-N 442.545 0.369 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1711304287 XMWLQPKPGYBNJB-SHUBJWRZSA-N 438.492 0.685 30 10 ICEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)C2 1742017429 SENNSQBKSBPNNQ-IBGZPJMESA-N 445.505 0.397 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748821687 SQKMDXGWYROVPT-QGZVFWFLSA-N 440.533 0.262 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1748848870 WCUMLQTYWOQYJP-FQEVSTJZSA-N 434.468 0.770 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1749039721 ZOYNKFQSRPYDKL-KRWDZBQOSA-N 439.607 0.899 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1749066478 KGFHUNGIXUKNRS-FXAWDEMLSA-N 447.565 0.868 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1749119994 ZFTLXNDNLSZADK-TUVASFSCSA-N 426.543 0.181 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760190447 WLSSMUNLAMKXFD-XLIONFOSSA-N 433.534 0.754 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760284854 TVJHXZAVNPVOSH-UHFFFAOYSA-N 445.549 0.288 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760366049 PBZISORIKBLILJ-AEGPPILISA-N 432.978 0.798 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699654 YTEZPPDZKZQMII-KBPBESRZSA-N 434.302 0.798 30 10 ICEE Cc1cc2c(cc1Br)NC(=O)[C@]2(c1c(O)n(C)c(=O)n(C)c1=O)C(C#N)C#N 1194045 OXJKQFJQRLDODT-GOSISDBHSA-N 444.245 0.762 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 512714113 MUFHMTMAHZGYFL-KRWDZBQOSA-N 440.500 0.522 30 10 ICEE Cc1nc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n[nH]1 611431173 XJVNFRGZSBSZKS-FQEVSTJZSA-N 440.527 0.779 30 10 ICEE C#CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)[C@H]1CCS(=O)(=O)C1 731213606 HMGOQPBSRPFLEM-FQEVSTJZSA-N 431.558 0.388 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780713565 NEHBTYMQGNLNDG-NSHDSACASA-N 445.462 0.791 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NCC(C)(C)C#N)CC1 781954177 RFXUNCARHDRPCM-UHFFFAOYSA-N 442.563 0.964 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccc(C#N)nc3)CC2)cc1 1130660314 ZUJRPMAGXBDPBC-UHFFFAOYSA-N 443.529 0.773 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 1211330932 IIUDLHUYZACPBN-GOSISDBHSA-N 433.534 0.145 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1286274832 PFTSFGZRVMPYJT-HOTGVXAUSA-N 425.493 0.878 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1286475893 KANLZWJQCBRKBZ-UHFFFAOYSA-N 433.516 0.821 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286778818 BHNFJKQBKBVPJD-OAHLLOKOSA-N 449.533 0.888 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1286782478 WDMUTQPHEHWOQQ-CQSZACIVSA-N 448.549 0.469 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)CC1 1286820938 WEHAYELXSCGNCF-QGZVFWFLSA-N 427.571 0.889 30 10 ICEE C#CCN(c1nnc(COCC)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300504039 IVGKSRLMOMQXAD-GOSISDBHSA-N 445.545 0.783 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1300579810 ZZSQPJIDMNQXIZ-MOPGFXCFSA-N 448.593 0.416 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2conc2COC)CC1 1300719622 JBZIPTLITPSAKP-UHFFFAOYSA-N 438.492 0.827 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1301424535 LURMIXPUZNGGJT-QGZVFWFLSA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301508395 JRGSULYSQZYGDC-QGZVFWFLSA-N 439.520 0.588 30 10 ICEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)CCO1 1303009314 IDHYGLYPOZNRML-LLVKDONJSA-N 439.448 0.380 30 10 ICEE C#CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)C(=O)OC(C)(C)C 1304470268 CZVWIQALKNIVSB-SHYRYGCCSA-N 427.523 0.184 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1305117144 HVAYCFHGXNCBSQ-CRAIPNDOSA-N 426.477 0.811 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359302353 DIXXVPAEQSSKOV-HNNXBMFYSA-N 438.579 0.949 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359333292 SXLYIISDGZKZLX-GPMSIDNRSA-N 426.539 0.767 30 10 ICEE COCCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1469785246 WOKCBDJSGMJYSF-YJBOKZPZSA-N 441.531 0.186 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1507689271 JICZUSHMMGOQPT-INIZCTEOSA-N 434.522 0.522 30 10 ICEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508400401 FPDBGOZDJUBIML-RDJZCZTQSA-N 439.524 0.685 30 10 ICEE CCN1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1515941082 RBDSZNNQAIKPEM-IBGZPJMESA-N 444.584 0.547 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539072558 SKZJALUDWHHKSV-HZPDHXFCSA-N 438.554 0.081 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1565589936 FRXRIXMTMTUEBV-UHFFFAOYSA-N 445.321 0.927 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1635053933 NHYRJFACRJXQEL-ZENOOKHLSA-N 436.456 0.900 30 10 ICEE CCNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1636028691 GVICLQHTBOKJDK-WMLDXEAASA-N 426.520 0.065 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)n1 1639992448 YHGRTYPCFFOZRR-KRWDZBQOSA-N 433.509 0.569 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c(=O)nc1O 1646148397 RVHWAXANVHHZLX-KGLIPLIRSA-N 434.250 0.872 30 10 ICEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC 1649638871 MYDDJXZOJKPZIZ-QZTJIDSGSA-N 437.504 0.779 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1683398344 CAAWIZUQOPFGQN-HUUCEWRRSA-N 431.559 0.473 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690659211 MPPQQVUGJHUEEY-QKKBWIMNSA-N 447.540 0.822 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690676858 GQXHQGZMDOPNIT-GDBMZVCRSA-N 447.467 0.659 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1690904118 HBTJDNIPJWBONK-IBGZPJMESA-N 437.504 0.780 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1696808535 RBHVMTLACBACNY-UHFFFAOYSA-N 425.536 0.732 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@H]1O 1697064478 NZKVEJXPNXXAKC-QZTJIDSGSA-N 438.488 0.703 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1705552523 ZHYAWHLRUGVEHP-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705900403 BOLDYNOHDBAVJR-UHFFFAOYSA-N 441.540 0.028 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)F 1705936080 JOXTZVBYGRTOFU-LBPRGKRZSA-N 426.511 0.872 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1706621217 KWRRSPMXGOHGLO-MRXNPFEDSA-N 437.508 0.288 30 10 ICEE CO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712679084 QAEQITZFCLCWGC-HLAUDOPJSA-N 429.481 0.152 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722363978 DGPBDAFNSJRLIR-QZTJIDSGSA-N 433.534 0.552 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1722368499 REZRFMFRCDSQCU-HLIPFELVSA-N 440.566 0.586 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1722701698 AIQWZLUIOGISOA-UHFFFAOYSA-N 428.541 0.889 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)C1 1722710080 CVLSJKATNRDTNW-KGLIPLIRSA-N 447.583 0.247 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1723563596 QELPITRDASGORU-HTXNQAPBSA-N 438.492 0.974 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CC1 1748956319 BXERMMUCMKFYIP-WJOKGBTCSA-N 440.533 0.918 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2snnc2C)CC1 1749001590 XKUDQENEBVGHLQ-UHFFFAOYSA-N 430.538 0.590 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1760173716 AZWAJSQEMPMOJW-QZTJIDSGSA-N 438.598 0.801 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1760495352 LVUQDOHNNWOEOB-HNNXBMFYSA-N 426.543 0.314 30 10 ICEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCOCC2)CC(OCC)C1 1766428298 FZMZWPPYXLIFGE-IDYZSHNDSA-N 434.541 0.813 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767761991 FWLHTMXXZLUQBD-QFPXGYFVSA-N 431.497 0.618 30 10 ICEE COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1Cl 1856192326 VNMDLWDPOOZMGB-CYBMUJFWSA-N 440.909 0.696 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094314 DXADCXXLPULNCB-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE C=CCn1c(=O)/c(=C\c2ccsc2)s/c1=C(/C#N)C(=O)NCCN1CCOCC1 101336627 MGCSHHLAOJGNEP-ZOUWJBNWSA-N 430.555 0.109 30 10 ICEE CC(C)n1cc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)cn1 104456215 CUQYKYXMYVMZPZ-YAXRCOADSA-N 429.470 0.453 30 10 ICEE COCCCS(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 432912837 NQDXHNQOZOOKLJ-HNNXBMFYSA-N 426.520 0.354 30 10 ICEE N#Cc1cc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)ccc1F 488731461 YUOLAZCKRDUQNV-INIZCTEOSA-N 445.538 0.597 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758077044 MNJQOWUTJFYORU-UHFFFAOYSA-N 428.857 0.886 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CCN1C1CC1 778612347 WRZXVTHRQLOMPH-INIZCTEOSA-N 429.452 0.435 30 10 ICEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 782146540 FXHQGBQZSNNWFJ-UHFFFAOYSA-N 436.534 0.861 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cc1 789633852 QTGBQHVPIHERSA-CJVAQADSSA-N 436.412 0.477 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 805769127 KZMWESNEAKAMGH-AWEZNQCLSA-N 439.460 0.497 30 10 ICEE CCCCNC(=O)c1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc(C)n1C 808776721 MTUPAKGEMCZPDV-UHFFFAOYSA-N 432.506 0.936 30 10 ICEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1136233240 MCVRVYURASQQJR-SOFGYWHQSA-N 431.470 0.959 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)CC1 1175515333 XOIQJMPCGCEZEI-USXIJHARSA-N 438.347 0.947 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 1176047340 WACMOKUEDMNTTG-QGZVFWFLSA-N 449.533 0.740 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1286429512 CBZFCOICKVKOIZ-QRVBRYPASA-N 449.577 0.625 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)C1 1286805373 SARHUYFTQHLMCF-AVRDEDQJSA-N 449.552 0.959 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(C)(=O)=O 1300299037 LAEMHYCPGVVMKS-CYBMUJFWSA-N 439.567 0.245 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300479292 KTXIXQKYXZYHGA-QZTJIDSGSA-N 448.593 0.625 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301501609 ZKHZEIUGWFEAFT-OAHLLOKOSA-N 440.570 0.335 30 10 ICEE NC(=O)CC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1505335239 SOUNHOLWPZATQF-FMQUCBEESA-N 427.509 0.849 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCOC2)c1 1507549054 YGGAKZTYMJNPAD-JOCHJYFZSA-N 440.504 0.624 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507799916 YKAIFBIPHJGOLO-MAUKXSAKSA-N 430.513 0.034 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C)C1CC1 1507992592 GLTQJKHCHPEWQL-AWEZNQCLSA-N 431.584 0.663 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1508085038 FEMRCHBSJRBSTD-AWEZNQCLSA-N 430.538 0.705 30 10 ICEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539186411 GTYYFQRPDTZEDE-UHFFFAOYSA-N 437.529 0.967 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539229420 CKQSZOOWJUSRHZ-ROUUACIJSA-N 448.593 0.367 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1539246044 NPEPYCJHTZSBBV-UHFFFAOYSA-N 449.558 0.361 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1539315050 CLZAEUXYVRYHJQ-HXUWFJFHSA-N 445.501 0.018 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1540867234 PERCEYPHHLIIOQ-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511684 WNGVLSFTZDPFRN-DOXZYTNZSA-N 427.523 0.799 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1587705300 ANOOUJYERSHRIT-HOCLYGCPSA-N 437.570 0.732 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588045629 NNPRTQJSOYBATO-UZLBHIALSA-N 431.518 0.772 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 1588199268 LRQZRKIVKGGVGT-UHFFFAOYSA-N 430.486 0.597 30 10 ICEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1634015730 CTKDRDXDWUOTOU-UHFFFAOYSA-N 448.589 0.803 30 10 ICEE C=CCC1(O)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1645230047 RDBZTSDJLFXVLT-AWEZNQCLSA-N 449.451 0.767 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689988134 JUQLMNIREKCZRV-QGZVFWFLSA-N 440.533 0.957 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1690047086 LFYBRKNCMRGYBK-SFHVURJKSA-N 433.578 0.754 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1694271452 HJPAWNDYBFOPTG-GDZNZVCISA-N 429.522 0.635 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNS(C)(=O)=O 1705589504 RUUJNCDNCCXITR-UHFFFAOYSA-N 429.506 0.328 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCN(C(C)=O)CC2)CC1 1705647668 KPRBJHVGMXVZDP-UHFFFAOYSA-N 441.580 0.676 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722683034 ZYDCVVBEJJADEO-KBPBESRZSA-N 432.572 0.079 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722728364 QPJACDZQRBXOEE-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740964809 IVHDYRYDXNUJAE-MRUHUIDDSA-N 432.525 0.336 30 10 ICEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1748033452 DRXFWGVDRAQFGB-UHFFFAOYSA-N 427.490 0.863 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1748892588 SDONSXSSUDHKRV-YLJYHZDGSA-N 435.550 0.235 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748900850 MJZGQCPSICNYBD-LJQANCHMSA-N 443.577 0.884 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1748970712 OMKOOCATCFKJDW-SQNIBIBYSA-N 440.566 0.913 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749303035 DFZAYVUZFZMBJQ-HZPDHXFCSA-N 443.595 0.618 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749670007 NIAFXGGXDKUTIV-GOSISDBHSA-N 441.511 0.993 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1749853360 YLEJSXFTUUWQOB-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1760235814 YHZWXSXBLXJRDD-KRWDZBQOSA-N 436.538 0.918 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760450107 DKJYURWREAZKFL-HZPDHXFCSA-N 430.513 0.907 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767432378 ZNTNJIKZNWDGHF-XLIONFOSSA-N 431.518 0.982 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C(=O)C2)C1 1856845589 IKKVVPBSMWDFHJ-OAHLLOKOSA-N 444.435 0.917 30 10 ICEE CC(C)c1ccc(CC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856861074 KRRDVRHFRCRVHF-LJQANCHMSA-N 432.546 0.951 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)n1 2255839515 AOHIOFUWSUPESU-UHFFFAOYSA-N 437.306 0.739 30 10 ICEE C#CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 111047506 UVZUFPSTYMHZTF-KRWDZBQOSA-N 442.559 0.209 30 10 ICEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 443478915 VMFRJLWHIMCXCG-CYBMUJFWSA-N 429.296 0.336 30 10 ICEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)[C@@H]1CCS(=O)(=O)C1 512075547 YACMKPQSUFTHRR-MRXNPFEDSA-N 444.579 0.629 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 558674129 FBHLNVPNWNTYPP-RDJZCZTQSA-N 435.554 0.600 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCCO1 603800362 WVCFTPOSBDTFBY-AWEZNQCLSA-N 433.555 0.724 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccoc3)c2=O)cn1 727417927 LHCQMSFGLIUVHY-UHFFFAOYSA-N 427.486 0.364 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732560923 CLCDEDSBJLRPCE-INIZCTEOSA-N 429.546 0.580 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 783347329 NGAZBBXHQXOAMQ-UHFFFAOYSA-N 433.280 0.891 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@H](C)C1 784906956 LMEONGWJSYBUSP-ZLFSKHNOSA-N 449.533 0.517 30 10 ICEE CCOC(=O)C1(S(C)(=O)=O)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 796571064 NLCUZAPPJKXQTE-UHFFFAOYSA-N 428.532 0.774 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)cc2C1=O 1153327105 SWXHVXQTZVPDAD-SFHVURJKSA-N 426.517 0.995 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1163652765 ZPZPWTUACRBFNE-TZIWHRDSSA-N 425.533 0.776 30 10 ICEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1167914379 ZGBPQTADNBLSLE-UHFFFAOYSA-N 430.486 0.695 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)CC1 1175515073 QTNRIGWQLCGXHL-OAHLLOKOSA-N 446.595 0.341 30 10 ICEE CN(c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1)S(C)(=O)=O 1251521912 JBKOXZGNVKMSCD-YOEHRIQHSA-N 426.520 0.162 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1286376296 JCVNPLMKRHRDSX-OAHLLOKOSA-N 438.579 0.942 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1286451606 LVPHRVJVFFIXTC-OAHLLOKOSA-N 428.522 0.977 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)CC1 1286494453 UBVPNEGUPUNNSR-KRWDZBQOSA-N 445.549 0.112 30 10 ICEE COC(=O)[C@@](C)(Cn1cccn1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1308144840 DBSWFOAXPVRVDU-SIKLNZKXSA-N 442.495 0.953 30 10 ICEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1316361393 BFDJVNHAISSNLM-VXKZXEGRSA-N 427.552 0.210 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358955844 UYZVTVYKAXXMAU-QINHECLXSA-N 439.582 0.840 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359043940 OORHSFLPBUYSSW-OAHLLOKOSA-N 445.549 0.079 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359123849 SGOXECFUYFVYNK-IEBWSBKVSA-N 429.569 0.965 30 10 ICEE C#CCN(C(=O)NCc1nn(C)cc1I)[C@H]1CCS(=O)(=O)C1 1470147091 KTEUEEVVOPXGAP-JTQLQIEISA-N 436.275 0.357 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1479499635 OKWIQXVKBJMCEE-INIZCTEOSA-N 447.536 0.378 30 10 ICEE CCS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1503278355 XRGXOXFYFUEQBE-KRWDZBQOSA-N 427.506 0.172 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507571633 IKMSPKKJXGVGIC-SFHVURJKSA-N 429.569 0.964 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1507654114 VZJPBGLMZRQVMT-FXAWDEMLSA-N 435.550 0.499 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507731331 FXAQKAHIMPRXOH-RTWAWAEBSA-N 429.613 0.811 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(CC)s2)CC1 1507733960 PBUFUUDFJDSCCO-UHFFFAOYSA-N 444.565 0.844 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1521114667 HYIOZIIJYMSIGB-LSDHHAIUSA-N 427.552 0.355 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1539324462 UMKJQKLJQKLIGN-LJQANCHMSA-N 433.578 0.756 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNS(C)(=O)=O)CC1 1539436712 ZMCYTTAQHDCQQY-UHFFFAOYSA-N 432.550 0.648 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(CC)CC)CC1 1539476650 CNVZOMMGAYGGIP-SJLPKXTDSA-N 429.569 0.925 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1587909206 GKRSDWJEEYEWMR-MRXNPFEDSA-N 425.603 0.231 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595824173 XVNBFIVDHNDKRA-SJORKVTESA-N 438.598 0.920 30 10 ICEE COC(=O)CCN(CC(OC)OC)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1611426672 DEWSLWBLRLCAHU-UHFFFAOYSA-N 427.479 0.126 30 10 ICEE C#CCN(C(=O)[C@@H](C)NC(=O)Cn1cnnn1)[C@H]1CCOc2ccc(Br)cc21 1617602162 XGAHFUBJXKPYSK-DOMZBBRYSA-N 447.293 0.926 30 10 ICEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCCOc1ccc(C#N)cc1OC 1617858843 KIIZRZMJUNRGSF-INIZCTEOSA-N 433.461 0.633 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 1623099660 LZLVWGBREJHPNZ-NDEPHWFRSA-N 442.563 0.199 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn3c(Br)cnc3s2)CC1 1644285093 HTYOJGIWZGCBEI-UHFFFAOYSA-N 432.325 0.384 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705581826 LXIUSROXIISMQB-LJQANCHMSA-N 434.500 0.508 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705899287 OAEXXPVXLPGZOG-OAHLLOKOSA-N 447.517 0.642 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705903438 WEFHHLFBJHAAIM-JKSUJKDBSA-N 437.508 0.461 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705937049 GYCDOOSFDJVUIU-FQEVSTJZSA-N 446.533 0.896 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705979242 IFAHGPAGINFEIE-MXLIYFDZSA-N 443.508 0.367 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722408266 ZDCLNUPIRCQYLV-OALUTQOASA-N 426.539 0.328 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1722691278 PTIJHBDLIIMHOQ-LBPRGKRZSA-N 441.945 0.875 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1722705625 FQVYGADQKHVTLU-CABCVRRESA-N 430.513 0.621 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N(C)C 1729069649 HMTIHQZBNACLPD-HNNXBMFYSA-N 427.513 0.670 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740620152 BVEVKUPAAQPWCD-MSOLQXFVSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740623797 AXXZJCCDNNBKSZ-OXQOHEQNSA-N 435.550 0.596 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1740994815 UEMLEQKOEVAAFU-UHFFFAOYSA-N 438.598 0.968 30 10 ICEE CCN(CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1746176842 ODYQGJKZBQGZGT-APWZRJJASA-N 442.561 0.981 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOCc2ccccc2)CC1 1748978039 MIWQYNLIVJIMNB-SFHVURJKSA-N 446.577 0.860 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1749508194 KUBWYGRZYZFJKB-DZGCQCFKSA-N 446.599 0.467 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749655338 IFHKJVREMZIFOF-KRWDZBQOSA-N 448.549 0.774 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760145092 HZHVXJLXGDWJQP-LSDHHAIUSA-N 431.584 0.705 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(C)c2)CC1 1760259836 HUIFUGCSLSWBHI-IBGZPJMESA-N 435.532 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1760557069 ZKERYGYQHGCLSS-UHFFFAOYSA-N 444.561 0.971 30 10 ICEE CN(c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1766971071 BOHWNNMVMFJDBS-OHTQGHCMSA-N 434.522 0.695 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCCNC(=O)OC(C)(C)C)n1 2247919151 PNYHNFJGZRPVPT-UHFFFAOYSA-N 425.295 0.691 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256055734 CSQMNEWLZLGVRV-CHWSQXEVSA-N 434.302 0.486 30 10 ICEE C#CC(C)(C)N1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286032234 AUWWPLZIWLGZFN-QGZVFWFLSA-N 437.518 0.725 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(nnc4-c4cccnc4)C3)CC2)o1 428243659 HKFCEUQZHUMCID-UHFFFAOYSA-N 433.476 0.673 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 479387386 ACKVRDFWSIZLCE-MRXNPFEDSA-N 442.541 0.912 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)CCCOC)cc2)CC1 504003990 JLJRSJVKGOTVOF-UHFFFAOYSA-N 438.550 0.949 30 10 ICEE C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518558045 WOGLPCWOJZKAJE-KRWDZBQOSA-N 434.566 0.210 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C[C@H]1CCCO1 531598321 GNHLGURWTJJYOA-QGZVFWFLSA-N 435.509 0.524 30 10 ICEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533136471 KXJGBDRLZQNHRL-UHFFFAOYSA-N 430.490 0.380 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](OC(F)F)C2)CC1 549408284 GQEBRDYOZPDALO-HNNXBMFYSA-N 428.461 0.705 30 10 ICEE CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 611207828 AYLKKMXPYGTGFP-MRXNPFEDSA-N 445.476 0.965 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 669816741 YZYHXOIZJMIXHH-JYJNAYRXSA-N 427.527 0.181 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 751725256 SLXUXBCSEBKVOL-UHFFFAOYSA-N 446.485 0.391 30 10 ICEE C[C@H](CC(=O)N1CCN(CCC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 761537277 GZQFTPVWTNZGQW-OAHLLOKOSA-N 435.550 0.126 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 771790332 GUEHNZVKQOYYAX-SXZOAGKDSA-N 438.440 0.427 30 10 ICEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@H]1CCS(=O)(=O)C1 776054799 PEYABZCSTNTSET-SLFFLAALSA-N 444.557 0.417 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n1 790105164 FWHQGHPPAIMDLU-IBGZPJMESA-N 426.452 0.751 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 807110493 UPUQTNVBTROAAL-RBSFLKMASA-N 429.543 0.811 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cnn(C)n2)C1=O 807936208 XMBHTEKFLMZMAZ-KRWDZBQOSA-N 440.533 0.886 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccccc1C#N 812275862 DRCHHSAWVXZESP-UHFFFAOYSA-N 440.435 0.691 30 10 ICEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1155846783 DNLLFDRZDZYEPO-NRFANRHFSA-N 426.429 0.898 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286386735 GTPMAHRXAUGFQJ-QGZVFWFLSA-N 425.518 0.943 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286482030 LYYTVAAJLLLXRB-OAQYLSRUSA-N 447.536 0.313 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286822019 BAYJIVIFIDVTAO-CQSZACIVSA-N 435.554 0.808 30 10 ICEE CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287357742 XEWSELCDQNHPOL-DNZUHHBVSA-N 436.538 0.626 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300493251 SZJXSLPWGZBGQC-CHWSQXEVSA-N 435.535 0.064 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301509182 BNVKBLVWKKSPQX-UHFFFAOYSA-N 447.503 0.977 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1358964150 URFHOZJYPRPGJV-RDJZCZTQSA-N 433.538 0.170 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1358977858 YFWIZMKGTAKOKP-GOSISDBHSA-N 425.514 0.895 30 10 ICEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCS(C)(=O)=O)C2 1360848787 FEMMVVWOMHTANU-IBGZPJMESA-N 430.490 0.892 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1507623453 SKODQHYBWYPTLG-LSDHHAIUSA-N 429.568 0.481 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 1507901764 FUCXZELLMZUBIL-QGZVFWFLSA-N 435.554 0.979 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508018554 GEFUWFXNXNZMPE-DXQAYGFFSA-N 446.533 0.885 30 10 ICEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517599128 FGJJBNAVBVCLKF-UHFFFAOYSA-N 435.492 0.811 30 10 ICEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCOC)CC1 1517615238 JIYVHYDDMNEVRS-UHFFFAOYSA-N 443.508 0.853 30 10 ICEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1518333493 BFASPBSVBGLPPJ-MRXNPFEDSA-N 436.494 0.144 30 10 ICEE CSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccn1 1520051340 FYLLLNCKEKNBMY-GXTWGEPZSA-N 437.551 0.782 30 10 ICEE CC(=O)N1CCc2c(sc(NC(=O)c3c4c(nn3C)CCS(=O)(=O)C4)c2C#N)C1 1533470099 KTUKOLHHDMQARN-UHFFFAOYSA-N 433.515 0.981 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1539178352 HCZIOCRMOJDPLB-OFLPRAFFSA-N 425.555 0.886 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 1539452656 XFLRVUGQGZLLNR-RBUKOAKNSA-N 448.593 0.723 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 1540877354 SEAJZBUCXOKFSV-HOCLYGCPSA-N 446.474 0.989 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1547259290 FMTFWVPPVLOMGP-OAQYLSRUSA-N 425.493 0.957 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588029195 FCHYFOLAARUDDY-HNNXBMFYSA-N 443.595 0.238 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1595466244 HLDDWCFMDIDGSU-UHFFFAOYSA-N 441.540 0.615 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595522622 HKIUFVHWRUFTAP-UHFFFAOYSA-N 434.504 0.943 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606609793 SSZWPCQOUPKEOQ-IAFNSTAXSA-N 428.497 0.217 30 10 ICEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CCn3cc(C#N)c(O)nc3=O)C2)c1 1630529971 DFVNBHQKZKZULX-AWEZNQCLSA-N 427.461 0.871 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@]1(COC)OCCc2ccccc21)c1cc[nH]n1 1641831538 SZTHFUNFXJNOMM-NRFANRHFSA-N 430.461 0.924 30 10 ICEE N#Cc1cnn(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c1N 1642520525 PEUZFERAPYOPGN-UHFFFAOYSA-N 440.279 0.809 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)CC1 1644285572 RINIDFSJGHWPOJ-UHFFFAOYSA-N 445.423 0.530 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705567673 YDYCFZJRTXSFFR-MSOLQXFVSA-N 432.550 0.775 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705567675 YDYCFZJRTXSFFR-ROUUACIJSA-N 432.550 0.775 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705649176 NDAIRKBELKWOBK-ZWKOTPCHSA-N 426.521 0.789 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1705662214 STCCVULJZXBLSB-CABCVRRESA-N 425.580 0.638 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1705806021 UWTZYJCPUPVSBH-JKSUJKDBSA-N 440.570 0.669 30 10 ICEE CN(CC1CCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1711139769 NLCBDJVGEBVVOD-KIJUOZEOSA-N 448.549 0.943 30 10 ICEE CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1711515503 ATGZWFNZWJHBBB-VKJFTORMSA-N 426.543 0.776 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1722352842 QAYZXARXGIDBKG-MAUKXSAKSA-N 442.611 0.118 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC(C)C 1722420774 LISXKIYSMLJBNF-UHFFFAOYSA-N 433.534 0.959 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)COCCO2)CC1 1722565551 AAFASUOTJWNMNH-APWZRJJASA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722692799 XATZATWGBDJUJD-KRWDZBQOSA-N 433.557 0.267 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1740611313 ZVAZPSXACYIDPQ-QGZVFWFLSA-N 448.549 0.911 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCCOC)CC1 1740695033 AVBOZMULZULCMT-UHFFFAOYSA-N 436.520 0.902 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1746700350 LKMIQYXWMMWOMZ-IRXDYDNUSA-N 430.506 0.311 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1748914316 IUIFUFLZFXJACX-MRXNPFEDSA-N 430.534 0.934 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749649990 GFDBZZXIQMRYNH-UHFFFAOYSA-N 447.540 0.873 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760174108 DPYJHHFTVSGTAP-CVEARBPZSA-N 433.509 0.733 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1760259835 HTXWEEPYYJCJKW-UHFFFAOYSA-N 448.531 0.426 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccnc2C)CC1 1760268041 AXGBQKFYNVCNJD-GOSISDBHSA-N 436.520 0.536 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1760495673 UHZCHTOGULWOGO-AWEZNQCLSA-N 439.567 0.998 30 10 ICEE CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1764537180 BLHDAPSPKYAVSB-AWEZNQCLSA-N 425.559 0.935 30 10 ICEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674621 LQZOPAADOZQZRJ-ZJUUUORDSA-N 428.320 0.472 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)/C(=C(/N)O)C(=O)[C@H](N(C)C)[C@@H]1C2 135954192 JGRMIMMCZBOWCW-OZUNWNPSSA-N 426.425 0.456 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCN1CCOCC1 481975118 QRERXKJYSMOGKU-UHFFFAOYSA-N 442.566 0.903 30 10 ICEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 505141356 HFJQEKLQVNSVNR-IRXDYDNUSA-N 431.514 0.964 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 515653703 JUQXXMSVOINLSW-OAHLLOKOSA-N 441.509 0.847 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c1 563729805 JPUDLNHAASTCOE-UHFFFAOYSA-N 435.488 0.150 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 590927975 MQSXPCDGKWUFJF-UHFFFAOYSA-N 426.542 0.271 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)c1 679000479 MEBKPDPZBGAXRH-UHFFFAOYSA-N 428.514 0.438 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 732465085 DRVHIBSPYFEPJT-VHEBQXMUSA-N 447.517 0.619 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@@H]1CCOC1 749863110 YUKUDEIMAQGQSR-INIZCTEOSA-N 443.573 0.972 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 764750417 HJCCOAOAFVYPNL-UHFFFAOYSA-N 446.485 0.504 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncn(Cc2cccc(F)c2)n1 781104690 DYTQKDOKWKLANF-UHFFFAOYSA-N 428.449 0.820 30 10 ICEE N#C[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 781974155 JKIYMRWAXUNLNN-JZXOWHBKSA-N 438.937 0.663 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2CC)c1=O 794644139 BWRCLPQUJUQWOE-UHFFFAOYSA-N 425.485 0.606 30 10 ICEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ncccc3C#N)CC2)C1=O 796258873 DNEDPOVNJGIRGE-QHCPKHFHSA-N 447.499 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)CC1 1152967239 BQUAKIAKIXIQAX-UHFFFAOYSA-N 446.283 0.165 30 10 ICEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(C#N)cc2)CC1 1175444002 GZVSCKIAPHYKQX-UHFFFAOYSA-N 429.502 0.975 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1286785150 BIKAUYRBPNJLMK-MRXNPFEDSA-N 433.557 0.326 30 10 ICEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)cc1 1289350389 WGXMUIDCXIYAJK-FUHWJXTLSA-N 430.486 0.624 30 10 ICEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1298584044 HJAYZPPYLWIPKG-FQEVSTJZSA-N 427.526 0.917 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300479335 LWRRLCDSUJXCLE-IAGOWNOFSA-N 438.598 0.773 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 1310456421 PQWRPDWLMYZMMZ-UHFFFAOYSA-N 444.897 0.509 30 10 ICEE C#CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1358936807 YBBHXGCRAYLAEG-LPHOPBHVSA-N 425.555 0.814 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1358958499 PMKYOGWTKXZGDV-OAHLLOKOSA-N 440.547 0.908 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959744 PBAAIKXZQYFZHI-RXVVDRJESA-N 441.513 0.595 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1359853906 OXHDNAAIOXJSCD-UHFFFAOYSA-N 446.581 0.961 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CC[C@H](O)C4)CC3)C2=O)cc1 1470284893 FLMFFVZXMGPKBA-RBUKOAKNSA-N 425.489 0.821 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C1 1508121075 CQZKIERTVXLMBE-GJZGRUSLSA-N 426.543 0.338 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508141616 NPCVBRVTEZYQOZ-DNVCBOLYSA-N 439.538 0.804 30 10 ICEE COCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1519357101 STKRVHIXNVCZCA-QGZVFWFLSA-N 441.492 0.598 30 10 ICEE O=C1CS(=O)(=O)C[C@@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1538727175 QRVZKBBHIKEQNB-ACZMJKKPSA-N 444.300 0.529 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539636622 LKRFCGFETBXNCX-NQIIRXRSSA-N 432.569 0.803 30 10 ICEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C(C)=O)CC1 1540057659 CDZQJRZZSULQFJ-UHFFFAOYSA-N 436.524 0.707 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1559651609 NBRIWXMOHDKECP-WBVHZDCISA-N 436.582 0.860 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588006009 ABWNIDGSFPOIFO-IRXDYDNUSA-N 428.516 0.816 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 1588199483 QPZKZXXRUAQLSE-UHFFFAOYSA-N 447.561 0.410 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(CC)CC)CC1 1588923698 JKFJJNTYFVJPMQ-SFHVURJKSA-N 429.569 0.927 30 10 ICEE NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)c1 1598209168 ZKLFBBPIDRYFKS-AWEZNQCLSA-N 433.486 0.551 30 10 ICEE CC(C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1607296697 PVICODZZHSJYAB-DCOQFNDQSA-N 436.538 0.799 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1612877885 HDWQELSACQAHSK-NXHAUGRDSA-N 436.476 0.533 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1618866516 KAIYTXLURUJOJB-KRWDZBQOSA-N 447.517 0.877 30 10 ICEE C#C[C@](C)(CC)NCC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1654508310 HAKHMTLWIDOTMW-JOCHJYFZSA-N 427.505 0.950 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689986419 PHNJBLMANDMQLX-YLJYHZDGSA-N 431.518 0.772 30 10 ICEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690509677 DSVUKCDCVFCTDL-KRWDZBQOSA-N 425.493 0.004 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1696654181 SPNOBOQCTWRABD-ISLYRVAYSA-N 445.524 0.397 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1705494811 GJKCPQRPKBACPJ-DYVFJYSZSA-N 436.538 0.976 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1705566268 MRRXVRXYCATIBB-ROUUACIJSA-N 443.529 0.397 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705638161 ASJBDMFTDPVPHC-MRXNPFEDSA-N 434.566 0.342 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705644869 DRMSKJIPXKHHIR-UHFFFAOYSA-N 444.561 0.851 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705680845 IKYOWONTSNZJLN-SRVKXCTJSA-N 447.359 0.512 30 10 ICEE CC(C)(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706184767 RQGXDUIZQUGVCM-KSSFIOAISA-N 444.533 0.868 30 10 ICEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1710838556 DIBREKXVUSGJSC-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1711085403 GCZHVMZCKPTSDY-QGZVFWFLSA-N 448.549 0.890 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1711304286 XMWLQPKPGYBNJB-LVHCJKAXSA-N 438.492 0.685 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1722373037 HTOVSBSYZPQSOY-HNNXBMFYSA-N 441.579 0.319 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1740639875 GNCNDLBMWLRAMC-BZSNNMDCSA-N 435.550 0.356 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1740991176 QBCIPJLXSRRGPV-HUUCEWRRSA-N 434.526 0.263 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748814408 FMBWXKNFKXINBG-LSDHHAIUSA-N 430.552 0.191 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748900842 MJZGQCPSICNYBD-IBGZPJMESA-N 443.577 0.884 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 1748929172 FQSPCCBAOYZNDP-IRXDYDNUSA-N 441.554 0.266 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760144036 AXOXQAWRHGAOTE-UHFFFAOYSA-N 433.476 0.926 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)CC1 1760381891 CVIUHIVTMZCRGL-AWEZNQCLSA-N 434.588 0.373 30 10 ICEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760436803 ZUJRBAHHMOVIIO-UHFFFAOYSA-N 426.525 0.916 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1760556399 CIGQBWYMBDZGCK-UHFFFAOYSA-N 445.592 0.469 30 10 ICEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2cnc3ncccc3c2=O)cc1 1853083614 VCGJWDYTNLNEOS-IBGZPJMESA-N 449.467 0.986 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)COC 1854401225 MHFHIFCSIWOYRX-KRWDZBQOSA-N 435.502 0.546 30 10 ICEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1 1857249729 XAFAZDGJCXSDTJ-CRAIPNDOSA-N 430.530 0.942 30 10 ICEE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@@H]3CCCN(CCO)C3)nc2)OC1(C)C 204882023 VLRQQJIZBSBSTI-HNNXBMFYSA-N 425.360 0.644 30 10 ICEE Cn1c(=O)c2c(ncn2CCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)n(C)c1=O 479211072 DRRYTRMDDLMBDF-UHFFFAOYSA-N 449.515 0.498 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 512714472 SUIFGYSSUIXUOL-SFHVURJKSA-N 434.562 0.534 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 554025235 ANQHAXZDLLHXPC-HNNXBMFYSA-N 440.547 0.399 30 10 ICEE CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2O1 732706353 NDOHPNXONXCJLJ-QFBILLFUSA-N 425.489 0.506 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nccn2C(F)F)CC1 743960426 SWVNUXWLNLRBOX-UHFFFAOYSA-N 438.460 0.661 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)n1 789324339 JIOARPFLSDFISL-MRXNPFEDSA-N 445.545 0.590 30 10 ICEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 800773123 CLDUYKKNYJSSKO-UHFFFAOYSA-N 434.522 0.972 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](C(=O)N2CCOCC2)C1 817314533 AFTMEYRLDIJPPO-MRXNPFEDSA-N 448.545 0.603 30 10 ICEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1116342542 PRFMRTCGDZHJIA-NXVVXOECSA-N 426.882 0.847 30 10 ICEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1F 1134645845 WUSZDVDQDDMKPQ-KBXCAEBGSA-N 443.522 0.867 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC34COCCN3CCOC4)CC2)cc1 1168938271 DWVIZNQJKRGIBJ-UHFFFAOYSA-N 448.545 0.176 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286693157 MPJZALASQCBUGG-CVEARBPZSA-N 440.570 0.682 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300488908 WZHHXCOWGWAMCJ-DLBZAZTESA-N 431.518 0.772 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300502852 YPIMCUSHRCPXKB-KRWDZBQOSA-N 435.550 0.454 30 10 ICEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)C1 1313380510 ANKLABMQMCNFII-GOEBONIOSA-N 432.525 0.588 30 10 ICEE C#CCN(C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1320031873 JCFNRRLHLSMRBK-QGZVFWFLSA-N 433.534 0.115 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358933640 ZZWBPDHLGNDWFF-IBGZPJMESA-N 441.580 0.947 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 1442465393 CGPDYABIYYFZIS-OAHLLOKOSA-N 440.572 0.313 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1cc(S(C)(=O)=O)ccc1F)c1cc[nH]n1 1467448505 SNRNKYHINALMAZ-UHFFFAOYSA-N 426.426 0.553 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1470762207 FDWKKZHZMRWMTD-QZTJIDSGSA-N 444.517 0.592 30 10 ICEE COC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1472191754 LAKHSEYQIBQAGO-GDIGMMSISA-N 427.523 0.657 30 10 ICEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1503409920 VONKALIJOQPJIB-UHFFFAOYSA-N 430.538 0.640 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nnn(C)n2)c1 1507548308 QUQKBQJJNVDUIW-UHFFFAOYSA-N 436.480 0.044 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cncn2)C1 1508143687 MVIQIKHJIAWQTR-INIZCTEOSA-N 448.553 0.434 30 10 ICEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc1I 1537005565 ISGZXTTYHSDXLU-LKFCYVNXSA-N 447.254 0.705 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539072551 SKZJALUDWHHKSV-CVEARBPZSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539215431 BUEANLNYSLZXHD-VQIMIIECSA-N 436.538 0.093 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1539265409 FWNVWVFXXPEUJV-DLBZAZTESA-N 437.591 0.827 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnccc2OC)CC1 1539476932 HPVNGIYKSDJZPZ-QGZVFWFLSA-N 437.504 0.647 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)c1 1585020549 CSAUCTLZQFFJQQ-OAQYLSRUSA-N 434.514 0.574 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1588050912 XSBKIOLJRYMLDT-KRWDZBQOSA-N 433.534 0.938 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588055453 VXZQIVJMNUOGKW-YZCUQEPOSA-N 440.591 0.710 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588058673 AEAPZWDXMXKLNP-LAUBAEHRSA-N 448.520 0.786 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588074773 RJPQIFFGCISZQS-IRXDYDNUSA-N 425.555 0.162 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1620176654 UJYNOBSBZRXNDK-OAHLLOKOSA-N 444.583 0.250 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(O)(COCCO)CC2)CC1 1620594081 GNJMJBBWZIWIIU-HXUWFJFHSA-N 434.512 0.370 30 10 ICEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1624069820 OYWYYCYZAXFXNB-CQSZACIVSA-N 433.465 0.891 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 1638475139 AGTOMMTZMAHRER-UHFFFAOYSA-N 439.490 0.972 30 10 ICEE C#CCN(C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1683988566 FXVINXJUXPVFDP-SUMDDJOVSA-N 449.577 0.940 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1690174165 AAZZKGIIONJUJM-INIZCTEOSA-N 439.607 0.851 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705558607 CNPKLSQIMPBYBN-GOSISDBHSA-N 446.577 0.403 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1705607113 QLYPNAPRGYTAKZ-UHFFFAOYSA-N 439.563 0.747 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705825219 MYQIGJOGEPDMLU-OAGGEKHMSA-N 440.570 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1705897252 IZVNQLMWMWVNJX-HOCLYGCPSA-N 440.570 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1705904060 DDLUKRJYQJJMDT-HNNXBMFYSA-N 438.554 0.294 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909466 XXXQTOUAZFKCSP-LEWJYISDSA-N 435.525 0.617 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1712108107 DGIHZYCLCQWBHA-UHFFFAOYSA-N 435.492 0.840 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1722373040 HUCNCVNKPZYBKI-INIZCTEOSA-N 434.566 0.800 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1722423932 UWZUHGYBCUIFFU-UHFFFAOYSA-N 443.504 0.907 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1740706298 VPOTVKFBHFBKSU-AZUAARDMSA-N 444.580 0.716 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1748278831 VXDJBUQPAOFJDO-HOTGVXAUSA-N 426.433 0.979 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1748639861 MXWPDLXHJOSHPP-LSDHHAIUSA-N 428.522 0.975 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1748864513 YMPQVAHCDDAGBH-HNNXBMFYSA-N 443.533 0.753 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760188178 NBCVLLDHDFYNOM-DICRZQGBSA-N 437.566 0.653 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1760554046 PRARKPBJHXIVSI-OAHLLOKOSA-N 441.554 0.665 30 10 ICEE CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1=O 1766132259 VMLJVZCWWFPDQH-AWEZNQCLSA-N 449.537 0.850 30 10 ICEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1767788439 LHQUCNQPXAYWNI-UHFFFAOYSA-N 425.497 0.146 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1771531729 AHBHXSOZSSBDJN-KRWDZBQOSA-N 427.490 0.581 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@@]1(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@H]1C2 1529529 CXCVEERYMJZMMM-IKJWWVRKSA-N 426.425 0.456 30 10 ICEE in-vitro C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465121885 OCTJFPJKHLBFKS-KBPBESRZSA-N 432.481 0.891 30 10 ICEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 504086542 LDCBHLLWDCVSQV-UHFFFAOYSA-N 428.489 0.273 30 10 ICEE Nc1ncnc2c1nc(N/N=C/c1ccc3ccccc3n1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 504687145 AAMFNUBZOVLAEY-ANOQVWTRSA-N 436.432 0.014 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 525265668 GYNCROOZSMKXGC-UHFFFAOYSA-N 440.525 0.825 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 542432910 OCMRXPRSPCDWSC-KBXCAEBGSA-N 427.486 0.932 30 10 ICEE C[C@@H]1CN(CC#CCN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC[C@@H]1N1CCN(C)CC1 551394753 OSJFKMPLGCRKCU-POTDNYQPSA-N 444.712 0.905 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)ccc1[N+](=O)[O-] 770651223 RHCCTDKEHWSAFW-UHFFFAOYSA-N 441.469 0.185 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCS(C)(=O)=O)C1CC1 812179353 SGONSXOUESFNMD-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 1227510969 ZXWCQAKUJPBIDK-OAQYLSRUSA-N 433.578 0.693 30 10 ICEE COc1ncc(Br)cc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1231132780 JSOPKKVBZSHXCF-UHFFFAOYSA-N 435.238 0.753 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1253780179 WXOHHUTYHYIDAZ-XHSDSOJGSA-N 429.539 0.843 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnnn2C)c1 1286309121 HHOLHRCWZZZRSE-KRWDZBQOSA-N 433.476 0.462 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286323975 KMQUWRDDEBLTTL-KRWDZBQOSA-N 429.525 0.607 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286389875 SBDRSVVGSGJMCR-IAGOWNOFSA-N 429.550 0.704 30 10 ICEE CCOCc1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1297298487 AFRUOBTXQSWULK-FMQUCBEESA-N 429.525 0.873 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1301497773 DBQAOYIWCCWFNY-KRWDZBQOSA-N 435.492 0.749 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNS(=O)(=O)CC)CC1 1359031634 JSQPDYJEJUBEAX-UHFFFAOYSA-N 432.550 0.648 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1359301252 VNWKFOMFTRSGPB-QGZVFWFLSA-N 448.549 0.550 30 10 ICEE CN(C[C@H]1CCOC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1503559945 PZSMFNDEDFSXSP-MVZUJROASA-N 443.508 0.400 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1517026622 YXGDRTQKBRCPCT-HXUWFJFHSA-N 443.533 0.567 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CCOCC2)cc1 1527273813 IHDUFHHAXIYVNX-PGMHBOJBSA-N 433.494 0.630 30 10 ICEE CC[C@H](Sc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1)C(N)=O 1538539369 GFQJNRZLVCVWEE-PKWAYOAASA-N 428.561 0.438 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1539415237 BPMPDBUVBPNVKE-OAHLLOKOSA-N 447.508 0.742 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCOC(C)(C)C2)CC1 1539490013 QPMKMLCIZJBRLM-UHFFFAOYSA-N 432.569 0.891 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 1542111491 HOJJTHVDDFQYMQ-IBGZPJMESA-N 438.459 0.807 30 10 ICEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OC 1544351836 LKURKNLJYYZZHP-GOSISDBHSA-N 437.518 0.777 30 10 ICEE CCc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546431207 ZMYRJRGBIRIIPE-VHEBQXMUSA-N 431.541 0.914 30 10 ICEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1=O 1554361212 HBGNCJJEZXTKIO-UHFFFAOYSA-N 428.518 0.920 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1556504082 JTRXHDUMFMWWGJ-QZTJIDSGSA-N 449.596 0.106 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1 1562663129 DYUDCEDPHGSPIO-UHFFFAOYSA-N 436.519 0.831 30 10 ICEE C#CCn1cc(CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)cn1 1568548330 FIPSGRTXECPGRH-SFHVURJKSA-N 431.518 0.362 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595784863 LRIGMCCQLOUDIM-HNNXBMFYSA-N 439.563 0.954 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCCn1cc(Br)cn1)c1cc[nH]n1 1637003008 YAIZJCRIVHKJIU-UHFFFAOYSA-N 427.259 0.859 30 10 ICEE COC1(OC)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1O 1643455947 WHGBOSWUJVIZHJ-SFHVURJKSA-N 437.518 0.541 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 1681226067 BSYMSNMVKBIVGK-DEYYWGMASA-N 428.511 0.345 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1690093653 GDENCMKAXDLVHQ-HZPDHXFCSA-N 435.554 0.748 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722360038 CHCHJLKCADILTP-LPHOPBHVSA-N 433.559 0.835 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1722691277 PTIJHBDLIIMHOQ-GFCCVEGCSA-N 441.945 0.875 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC2(O)CC2)cc1 1731183482 QXOQMHUCYJKCMP-UHFFFAOYSA-N 426.477 0.724 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740580983 MJJOWPFGXXKVHO-AWEZNQCLSA-N 446.599 0.162 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1740693074 SQLDFIFBYSNCFY-FCHUYYIVSA-N 432.569 0.141 30 10 ICEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740874089 MPLMVWZOJYBESO-MRXNPFEDSA-N 449.537 0.835 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1741925872 DSQRJCLUWILSBO-SECBINFHSA-N 445.427 0.986 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1750214339 CBKQNGWJDDHEMR-KRWDZBQOSA-N 443.533 0.567 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1760174708 HCFFXXIRABFHEX-JCYILVPMSA-N 425.555 0.886 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1768659685 HHGGXNYACORCSX-YLJYHZDGSA-N 431.518 0.840 30 10 ICEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769265953 UUMVKUZAFQTVIB-HNNXBMFYSA-N 447.519 0.641 30 10 ICEE CC[C@H](C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 31294847 XBWIHRJEMMBRCO-KXBFYZLASA-N 436.534 0.568 30 10 ICEE C(COCC(COCCCOC[C@@H]1CO1)OCCCOC[C@@H]1CO1)COC[C@@H]1CO1 100197805 SOHMVTGXMYTRAT-NJDAHSKKSA-N 434.526 0.821 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCN1CCOCC1 512737822 JPNBTACDWGWMFT-INIZCTEOSA-N 443.573 0.577 30 10 ICEE COCc1nc([C@@H]2COCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 779700854 SWLIXOLXTWFNDG-JSGCOSHPSA-N 449.489 0.633 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4c(F)cccc4S3(=O)=O)CC2)o1 799312033 NERXDMFCHHPVDR-UHFFFAOYSA-N 433.421 0.487 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1132452789 XUUGFMLFLAQRHP-UHFFFAOYSA-N 429.882 0.890 30 10 ICEE N#C[C@]12CN(C(=O)c3ccccc3S(=O)(=O)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1134424138 IIPBVJKFCHHAGP-HNAYVOBHSA-N 437.543 0.872 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 1152967800 QDFYEVWNDXCKAR-IBGZPJMESA-N 432.590 0.941 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@@H](O)CC3(C#N)CCC3)C2)CC1 1191978844 YNOSQTOGKQGSTH-INIZCTEOSA-N 442.582 0.998 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1198231284 VBUVUQMPECGYAG-RBUKOAKNSA-N 438.525 0.280 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1286376686 NGXDRNKBOOEQDH-KRWDZBQOSA-N 433.538 0.190 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)CC1 1286652589 ZVVVFPUNMANPJF-CYBMUJFWSA-N 431.584 0.868 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1301952077 GKYRWLTXRGPDPU-CHWSQXEVSA-N 439.567 0.976 30 10 ICEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 1306918445 AKEUTVAXMBLHOX-UHFFFAOYSA-N 425.467 0.251 30 10 ICEE C#C[C@H](CCC)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1478895219 ALOFIVUUSXNYIS-QGZVFWFLSA-N 435.550 0.736 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CC=CCC2)C1 1505141516 PPDQWFORCWWYGQ-GOSISDBHSA-N 449.581 0.613 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2nnn(C)n2)CC1 1507739209 AZAKIKRCNGMTAX-UHFFFAOYSA-N 433.520 0.601 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)[C@H]1CCOC1 1517067678 RUDKQKCCANQRCO-JXFKEZNVSA-N 447.517 0.503 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1539239125 IAIZULXBRIIWEF-HRAATJIYSA-N 427.530 0.795 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540869223 FTSOHNRDJYGVDG-SJORKVTESA-N 431.541 0.080 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540874184 XSIOIGBXBVAAOD-HNNXBMFYSA-N 429.525 0.198 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1541927292 HQRJYZHTFIITSL-UGSOOPFHSA-N 436.517 0.840 30 10 ICEE C#C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)C 1564872413 YELMGOHADLKEBN-MRXNPFEDSA-N 428.555 0.921 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)Cc1ccon1 1587651070 IBHYRQRKCHEXGH-OAHLLOKOSA-N 429.506 0.829 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1588387105 RLGODLATQMKSNI-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)CC1 1588732949 IZHIGFWIJVGTLQ-KRWDZBQOSA-N 425.493 0.486 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCN1Cc2ccccc2OCC1=O)c1cc[nH]n1 1595512249 RTWGHSOBVWBVKP-UHFFFAOYSA-N 429.433 0.231 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595530099 SPHXJJAJCLCJFC-UHFFFAOYSA-N 435.554 0.826 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595543909 BJULHQGTGWAHLD-HNNXBMFYSA-N 425.555 0.878 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1611658261 AJMCWEWCFGSZHA-UWVGGRQHSA-N 425.437 0.305 30 10 ICEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1620054687 MZBDZWOXVOIENG-LJQANCHMSA-N 440.504 0.917 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(c3ccc(Br)cc3)C[C@H](O)C2)C1=O 1644933688 WLSQMXFNNNLRRC-QGGXVJLZSA-N 436.262 0.892 30 10 ICEE COC(=O)c1ccc2c(c1)OCCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1648603700 DKHXTUHMQIGDBX-UHFFFAOYSA-N 429.454 0.933 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1690219287 AODMKIPWXCHPTR-LBPRGKRZSA-N 449.375 0.856 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1690497508 RPTASQLBSICQDE-YJBOKZPZSA-N 429.543 0.477 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1690983068 XFCPBCFMGZQNSA-OAHLLOKOSA-N 425.493 0.922 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705572355 YPIRCXKYCCTIIE-SFHVURJKSA-N 437.566 0.700 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705581825 LXIUSROXIISMQB-IBGZPJMESA-N 434.500 0.508 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1705606913 KEMAJFAQTDNHPJ-UHFFFAOYSA-N 439.563 0.747 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1705737162 LFYBUUGMCOGFLM-HOTGVXAUSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705904066 DROFWLUXAJRQHG-UHFFFAOYSA-N 425.537 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705932765 YWYGYWTYRAMQSO-HNNXBMFYSA-N 445.549 0.831 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1722451209 GZTJSLQKSUIRJN-ZDUSSCGKSA-N 430.600 0.606 30 10 ICEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729725851 OKKVMCSUSQLJLE-UHFFFAOYSA-N 431.504 0.993 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749650911 JGMPJNOTSCKEAH-BTYIYWSLSA-N 441.492 0.612 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1760117480 PIISSKSANRWRJL-STQMWFEESA-N 432.344 0.978 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760185907 GXRIMMUNPOLXEL-QGZVFWFLSA-N 440.533 0.376 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1760191007 ZCBCUCIELHUZSE-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1763221535 GQLKCJGLYZAGLT-SFHVURJKSA-N 440.504 0.985 30 10 ICEE Cn1nc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247914738 PRLHLYAQEXXHCD-UHFFFAOYSA-N 436.627 0.876 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620186 XCCGXTKOZUALIT-OLZOCXBDSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831196 RLOWPIUGKKFHAQ-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267605185 SRMPLQUAIXEWJO-KGLIPLIRSA-N 448.329 0.876 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1 438942023 IAEAXECDMOCSSP-LUKYLMHMSA-N 436.486 0.716 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 477588280 FTPUCVIPBSAMIY-IBGZPJMESA-N 440.591 0.698 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)N[C@](C)(C#N)C4CC4)CC3)C2=O)n(C)n1 506679537 QSEJBWNKBGOXTB-PGRDOPGGSA-N 427.553 0.650 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@]3(CCCOC3)C2)CC1 510635319 YEHXGIMFRYUPQW-OAQYLSRUSA-N 448.545 0.273 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 544031166 RCODHICEDJVCOW-RHSMWYFYSA-N 444.517 0.266 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@@H]1CCS(=O)(=O)C1 729334258 KZXZPYIBJWYEPL-OAHLLOKOSA-N 427.548 0.462 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 807577578 CFQKOJKTKFUYCX-FUHWJXTLSA-N 449.529 0.637 30 10 ICEE COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1171306285 GLTREKSHKHHCOR-HZPDHXFCSA-N 433.534 0.211 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 1175514646 BYLNMGKJVAGHAG-KRWDZBQOSA-N 426.926 0.519 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286342396 QBEPFBNAFGZNEZ-MRXNPFEDSA-N 437.570 0.640 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1286581994 PPCJITWAKSLUJI-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)NC 1286718611 PXVREEVIFIAGDH-UHFFFAOYSA-N 442.567 0.367 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1297954091 DXQRWRIUOKXYLS-QYZOEREBSA-N 445.568 0.844 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1299302026 JZDYPMBUZQXHEZ-IBGZPJMESA-N 429.506 0.082 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1301506389 KMCZXCSDWVWKGO-UHFFFAOYSA-N 430.484 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2CCOC[C@H]2C1 1301588949 MRXLQXMYQCOJAN-IAGOWNOFSA-N 425.555 0.641 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1316206284 MPDABYGBWKHJIK-FUHWJXTLSA-N 447.540 0.037 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1359058126 TUVXGQBMFOVBAR-HZPDHXFCSA-N 443.595 0.593 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359100208 YNBXIERIHANBGI-RYRKJORJSA-N 430.553 0.995 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1467452659 PLOWWGKYJLKLRS-UHFFFAOYSA-N 433.530 0.434 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 1469981516 DGFXXXZEOSJYKZ-UHFFFAOYSA-N 426.470 0.935 30 10 ICEE Cc1cc(C)n(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1492761194 FWVRTKUJALQKSD-DLBZAZTESA-N 433.538 0.813 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507611931 SRPHOWOHCSVIIN-QGZVFWFLSA-N 441.521 0.414 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507638838 TUEDGIVJBLXJHZ-KRWDZBQOSA-N 439.582 0.552 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507750244 NQXVOOHVCSMTBB-UHFFFAOYSA-N 428.566 0.446 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CCO1 1517532553 BXRNUDLJXQEJFJ-KRWDZBQOSA-N 425.493 0.540 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1cc(I)ccc1-n1cnnn1 1532447990 BRQLDTKJSWOQJD-UHFFFAOYSA-N 440.201 0.796 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539222831 XIJDBWYUYHGXDP-IAGOWNOFSA-N 435.550 0.673 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539631549 MBFPUWUZCOXVII-IKGGRYGDSA-N 425.555 0.845 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1540875512 OIFASHUSHMLCTM-GOSISDBHSA-N 442.520 0.673 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876091 HCGWZWYHSYRVTP-XMSQKQJNSA-N 448.568 0.926 30 10 ICEE CNC(=O)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccc(F)cc1C 1564978493 WMFYYORTSBPQQN-GUXCAODWSA-N 436.509 0.619 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 1566673858 VOGQUXLFHIQRQW-INIZCTEOSA-N 440.591 0.520 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588050100 PAMAAXCPEYQVTK-CVEARBPZSA-N 436.582 0.444 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cc(CO)nn2)CC1 1588800479 IJTYZCKIBFNQON-UHFFFAOYSA-N 436.520 0.883 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588929415 AATQJFDZBODMGI-OTWHNJEPSA-N 431.537 0.799 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1589135054 SLNUXNCSPAAAJL-OXQOHEQNSA-N 434.566 0.930 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1611778319 HEBXXRWACCLCAL-SVMVAKDDSA-N 440.504 0.970 30 10 ICEE CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1614963506 DLLJCPGZZFDQEG-HUUCEWRRSA-N 441.558 0.123 30 10 ICEE C[C@H](CC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636956097 AWJCHEZGKGAICC-CYBMUJFWSA-N 444.517 0.648 30 10 ICEE Cc1ccc(CNC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1F 1644133610 FFXYFXWNTAWICL-UHFFFAOYSA-N 430.436 0.987 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1690485050 KIBQVZQYKGMMQZ-GJZGRUSLSA-N 426.543 0.279 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1690674879 IWURNFWQXYRGTF-FQEVSTJZSA-N 446.533 0.568 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1698310861 CSAYIISJFPQMGU-BEFAXECRSA-N 433.513 0.987 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705584484 LVAPCAOIHOEWSC-NRFANRHFSA-N 428.514 0.500 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1711353518 ISFURRHSHHKBRC-CQSZACIVSA-N 432.506 0.656 30 10 ICEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722340150 OOMRLEWFFJEATC-OAHLLOKOSA-N 426.452 0.557 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nnnn2CC2CC2)CC1 1722446955 DXMOQSBZGBLGQR-UHFFFAOYSA-N 425.541 0.887 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1740699240 ZGWVFNXKQHVPRP-UHFFFAOYSA-N 431.566 0.472 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740788818 XUUTVJAKQNKWTB-RDTXWAMCSA-N 442.542 0.512 30 10 ICEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1cnnn1 1748795173 ZOSRERCJSPWROM-UHFFFAOYSA-N 434.552 0.789 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1749668667 CGJWAVQYIOWOMA-CVEARBPZSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749681222 YOOSCJGDORBZFQ-KRWDZBQOSA-N 439.520 0.990 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1749682426 UCFJLYCHGKCDPX-HYFFOGBASA-N 446.552 0.868 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1770051905 PZNNZULTIFFTHD-PMPSAXMXSA-N 427.527 0.556 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1771222636 KQFTULGUDXZPAT-LSDHHAIUSA-N 429.543 0.944 30 10 ICEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2cnc3ncccc3c2=O)cc1 1853083615 VCGJWDYTNLNEOS-LJQANCHMSA-N 449.467 0.986 30 10 ICEE O=c1c(Cl)c(N/N=C/c2ccccc2S(=O)(=O)O)cnn1[C@@H]1CCS(=O)(=O)C1 1873529081 MHUZAMXZNXIDOQ-RGOWCBCBSA-N 446.894 0.949 30 10 ICEE Cc1c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255825385 YEIYPEZDOGEXDI-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472899111 FSHMWZWUOWGINS-GOSISDBHSA-N 448.593 0.600 30 10 ICEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 480719791 HYFOAIWLLIYVOR-MRXNPFEDSA-N 431.511 0.654 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 515662598 RKCISQYCRVIVLJ-CQSZACIVSA-N 448.508 0.158 30 10 ICEE COC[C@@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 532903513 CEOYTEGWLNXBIM-OAHLLOKOSA-N 432.296 0.847 30 10 ICEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546877166 POHHUTNZRQWKMW-UHFFFAOYSA-N 441.513 0.778 30 10 ICEE CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 619851381 RQLTUEDQDVOJFA-GOSISDBHSA-N 445.549 0.924 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 728531229 DPRFCUNGTWNQGK-INIZCTEOSA-N 438.575 0.185 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)C1 729330861 GKQROKWSIWSEDF-MRXNPFEDSA-N 442.534 0.875 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)N3CCOC[C@H]3C3CC3)C2=O)cc1 766106391 ZNLOOZBCVUTYSM-ROUUACIJSA-N 440.456 0.944 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC1CCN(C2CC2)CC1 767629408 UJRJHXHJJXGSJH-AWEZNQCLSA-N 434.518 0.511 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 1175515362 YRMHSKUJXPOIEG-OAHLLOKOSA-N 446.982 0.768 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](NC(=O)CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297223170 NAVJUZXXKJMTRN-FZFLATATSA-N 445.524 0.836 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1300456348 ZJSVTYFUVAAXJO-UHFFFAOYSA-N 429.506 0.294 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300485666 XZOXQPOSSMXUGV-HZPDHXFCSA-N 428.580 0.996 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300487221 IFBIBORZEOEBHC-MRXNPFEDSA-N 430.534 0.882 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1358966373 NKOZYLXFKIETIC-MRXNPFEDSA-N 426.564 0.458 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1359104577 CWHGLOVNEWBAMB-AEFFLSMTSA-N 443.556 0.892 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359291136 FUIFNNDTSHOPBN-UHFFFAOYSA-N 442.499 0.677 30 10 ICEE C=CCn1cc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)nn1 1437856432 QDBLGJULPZBZSQ-UHFFFAOYSA-N 433.513 0.895 30 10 ICEE Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1460861796 WYEGKLAPADSOOW-UZLBHIALSA-N 436.534 0.957 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508092655 QPMPEPFIOFLPKF-UWJYYQICSA-N 429.525 0.826 30 10 ICEE CC(C)(C)c1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508487750 NIGODONALVLDII-NIQMNWOISA-N 427.509 0.817 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1540871808 UOVOGQHFYJKQDW-KFWWJZLASA-N 426.543 0.005 30 10 ICEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1558510984 KCKOQNVDHDLHOZ-LIRRHRJNSA-N 427.523 0.799 30 10 ICEE CN(c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1)S(C)(=O)=O 1565457791 JBKOXZGNVKMSCD-WMLDXEAASA-N 426.520 0.162 30 10 ICEE C#CC[C@@H]1CCCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)C1 1639870367 XDFKPRYXRHFXMG-MRXNPFEDSA-N 447.536 0.963 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NC1CCN(CC#N)CC1 1641258834 OTWMVEMTZRFOIS-USXIJHARSA-N 440.566 0.761 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)c3ccc(Br)cc3C2=O)C1=O 1643792355 PAEQFZNPDHZWNO-UHFFFAOYSA-N 435.190 0.053 30 10 ICEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OC 1655132554 WSKCKPAYCMUHDI-NSHDSACASA-N 439.259 0.710 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1689990826 SHBQYHREDIDPET-HOTGVXAUSA-N 442.563 0.010 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1692540201 SDFSMOHXMAIVDG-UHFFFAOYSA-N 442.524 0.409 30 10 ICEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1696883134 ADXOSVSGGXTVAW-NRFANRHFSA-N 432.548 0.868 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1705736936 GSVUCACZJBGVGD-SJORKVTESA-N 443.570 0.676 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706024891 YJWBOFDYGODSMH-HUUCEWRRSA-N 432.506 0.798 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722364641 ISWJSJVVTSNPGG-DJPFJPOOSA-N 445.545 0.431 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1722698594 IKQXJWBYKGEFPH-HZPDHXFCSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1722704858 YGSKLNUIANKFEY-LAUBAEHRSA-N 429.525 0.409 30 10 ICEE C[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726568364 UOJMYBKQNBDXKE-YKHTYXQRSA-N 448.549 0.943 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740554469 ZOLJNFOFVNIMBG-RDJZCZTQSA-N 448.549 0.299 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1740566589 IFJLJKOTCJKDKX-CQSZACIVSA-N 433.538 0.348 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740624692 KUEDMKUJHSTLEI-OAHLLOKOSA-N 448.574 0.840 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCN(C)C 1741924186 ZYYSIFMTKMJHGE-HNNXBMFYSA-N 427.575 0.597 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748698600 HMOCDIVZEBWAIB-RBSFLKMASA-N 427.527 0.052 30 10 ICEE C#CCN(c1nnc(C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1748804152 DXACQSDXRPUPRH-IAGOWNOFSA-N 444.565 0.714 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1749044376 QGFHTZVMOGSTQL-UHFFFAOYSA-N 426.550 0.884 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1749876734 NZLDCYKCQVSHJT-JOCHJYFZSA-N 437.504 0.876 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760143305 BXOHWEFUEHWKSZ-KRWDZBQOSA-N 437.566 0.958 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1760177483 JLXLDJMNSHDUJZ-HTXNQAPBSA-N 439.501 0.865 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1760180669 JACHLPCHNFXNCP-VQIMIIECSA-N 426.539 0.592 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1760184260 ICNRJQGMXLCSHQ-HNNXBMFYSA-N 432.550 0.683 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1760324651 LYBCZRPQZKBKIV-LAUBAEHRSA-N 446.552 0.677 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C(C)=O)CC1)C1CC1 1760471434 VTHMJBUAEPMFAL-OAHLLOKOSA-N 439.586 0.207 30 10 ICEE CN1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1769072847 KKEFJNGTDYENTG-VXPUYCOJSA-N 436.476 0.069 30 10 ICEE COc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3nnc4n3CCCC4)CC2)cc1 1853547292 FBFGQELOUSCACI-UHFFFAOYSA-N 441.536 0.994 30 10 ICEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870576194 QIHZCKCQIOBAPW-UHFFFAOYSA-N 440.533 0.990 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(CC)CCO)nc1C 1872678544 BBFMBUGCVNUWGX-UHFFFAOYSA-N 439.450 0.649 30 10 ICEE CN(CC(=O)N1CCOCC1)C(=O)COc1ccc(C#N)cc1I 538641569 ZQPDIXCPSWDKBG-UHFFFAOYSA-N 443.241 0.859 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 542432913 OCMRXPRSPCDWSC-KDOFPFPSSA-N 427.486 0.932 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)n1 788695666 WREWFJXSDRIPEW-UHFFFAOYSA-N 426.520 0.262 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n1 790104195 LUNQSSBAYUOTJF-QFIPXVFZSA-N 449.511 0.967 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cn1 807936705 PXHAYQUHHBEUJE-HNNXBMFYSA-N 433.542 0.231 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)CC1 1286472276 RNSVDEFPDFXYGH-WQIZZMQYSA-N 444.627 0.191 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C 1286582266 VDWQRIUDHPQPAB-OAHLLOKOSA-N 433.600 0.910 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC 1286722249 SLZQKPLUKPERSX-UHFFFAOYSA-N 427.556 0.410 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300490942 CUBRZKXIJMNDLY-SJORKVTESA-N 436.582 0.588 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1300491960 KHCAUVLQWLPWDU-KRWDZBQOSA-N 441.517 0.757 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2CCOC2)C1 1302481111 XAIQJBLLWKLYAF-VKJFTORMSA-N 442.517 0.480 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CCO1 1305773492 ZKQGZQMPIWRUBD-AWEZNQCLSA-N 429.520 0.473 30 10 ICEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359182358 CZKRCGFQZFQLBE-INIZCTEOSA-N 445.568 0.946 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359390185 ANVBPMIZJULLTD-IGGDJGDASA-N 443.508 0.367 30 10 ICEE Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1361221312 UZMATBRMQMBWHL-ZPHPHTNESA-N 425.449 0.651 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 1455115885 UOHWHDWJUYAZHS-GOSISDBHSA-N 440.525 0.805 30 10 ICEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004186 QWBURPOCSCAOJE-UHFFFAOYSA-N 432.477 0.700 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1507651684 AFTQPYVJJIIYFH-IAGOWNOFSA-N 442.520 0.938 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CC1 1539441887 YGHIFALXNQFLKH-UHFFFAOYSA-N 441.561 0.901 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccn(CC)c2=O)CC1 1539480489 AGZXHPAEVMWMRT-LJQANCHMSA-N 438.532 0.978 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1555662728 GJBYNWGEOMIYDR-BHIYHBOVSA-N 434.541 0.984 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595569551 JFAJYEOGZMVOCD-LPHOPBHVSA-N 442.568 0.599 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1596212216 FHWMQPDMNLZAIK-SFXXBHMCSA-N 443.508 0.365 30 10 ICEE CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1615241453 CWEBIYRINLXMQZ-OHTQGHCMSA-N 436.538 0.941 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCCC2)C1 1620170587 GJXLYHTVRGGKPX-PBHICJAKSA-N 442.517 0.358 30 10 ICEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)CN1CCO 1626821684 IWBIESOENASVSL-IRXDYDNUSA-N 434.562 0.872 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1637260863 QLVHEVMNUMJGCB-QFBILLFUSA-N 425.528 0.950 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(=O)nc1O 1646146824 CAZJADOCPHEDLQ-CYBMUJFWSA-N 445.863 0.518 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1690300617 GULRPSUQIXWLHH-GJZGRUSLSA-N 428.559 0.443 30 10 ICEE C=C(C)COCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1690320346 RACGEHJBYUHHBR-IBGZPJMESA-N 443.570 0.605 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690660199 BINAAWAVUVMOKO-CABCVRRESA-N 440.570 0.322 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690970230 AQQMAVXCSHAZGI-UHFFFAOYSA-N 447.503 0.930 30 10 ICEE CC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694898406 IIAAIQGWUAYFMW-YKHTYXQRSA-N 448.549 0.943 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705565594 HXRATRKHHSMZSY-QZTJIDSGSA-N 431.566 0.790 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570491 QNWRZPBNVSYZQR-GOSISDBHSA-N 445.545 0.432 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705580044 BYGKSIMFRMOLFQ-FGTMMUONSA-N 444.561 0.506 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1705792569 WLFJCNYOADKFLR-HOTGVXAUSA-N 438.554 0.942 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740622330 XFMZKCXJVJMGKM-ZWKOTPCHSA-N 431.518 0.772 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1747433460 RYBHMUZQQSBKMQ-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1748934270 OBPNVHZLTGOGBE-HOTGVXAUSA-N 425.449 0.671 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1750214340 CBKQNGWJDDHEMR-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C(N)=O)nc1 1760104521 AANCUEHALIMOSP-AWEZNQCLSA-N 428.460 0.921 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1760260438 SEWGDSKJBKNJES-SFHVURJKSA-N 442.545 0.436 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1769844935 FRIOBZMBOHWUSU-MRXNPFEDSA-N 441.554 0.478 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1OC 1865728138 BAKKIZYXIVUNNB-INIZCTEOSA-N 438.484 0.988 30 10 ICEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1869932003 PIGSXFXPPPYIRF-HNNXBMFYSA-N 436.515 0.468 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)O[C@H]3CCS(=O)(=O)C3)CC2)CC1 1890073907 DXZYOKHHGFVDJE-IBGZPJMESA-N 427.567 0.432 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2267272063 WPGFFFCOTKOKPT-NSHDSACASA-N 445.251 0.788 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 2282342592 JLMLFQJDUAVDPP-ZDUSSCGKSA-N 427.332 0.493 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 493507681 YQWJBYRPLQUVES-GOSISDBHSA-N 444.532 0.294 30 10 ICEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 503640686 CEZXSHXNBHFZRB-QGZVFWFLSA-N 438.575 0.980 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 513295406 XNWGHKWKWDFPMP-INIZCTEOSA-N 440.435 0.718 30 10 ICEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)CC1 732700151 GHWOCMUSEDCURP-KRWDZBQOSA-N 433.538 0.367 30 10 ICEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC)c1 743735324 FXUYXEZMUNVGQB-INIZCTEOSA-N 435.550 0.831 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 750961463 JQASRVJKNYGOFT-GCJKJVERSA-N 427.505 0.798 30 10 ICEE C=CCn1cc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)nn1 1130121845 BPTNXNZJGUQYLO-UHFFFAOYSA-N 431.522 0.850 30 10 ICEE 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)OC 1141998067 HGWIREACQGBJHR-CBBWQLFWSA-N 428.507 0.338 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C(C)C)ncc2Br)CC1 1152973461 KOAOHPPHDZVCPZ-UHFFFAOYSA-N 430.328 0.588 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)CC#N)CC1 1182931001 LIVOYJSCZORXPE-GFCCVEGCSA-N 432.424 0.957 30 10 ICEE C=C[C@@H](C)ONC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1252548538 IOIBJUDMCKWDLQ-OAHLLOKOSA-N 425.511 0.440 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1286772872 FTYHEZJAHGAQPT-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OC 1287778375 PDCNRKINDCTWPT-SFHVURJKSA-N 437.518 0.777 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1300494987 AXWUKKDIIXVGDH-ROUUACIJSA-N 439.582 0.725 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1301257956 HUPPTDDUCZVKOQ-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 1302924799 RQHMXSZMGCUJJB-UHFFFAOYSA-N 427.914 0.659 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1314138774 DWFVEUJOVCVPJA-LPHOPBHVSA-N 441.554 0.874 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1358968944 CMYVZAQQMDFZAL-AWEZNQCLSA-N 429.506 0.500 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1358969680 UKUZWKJQMNQHKK-INIZCTEOSA-N 434.566 0.752 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359298617 GUHGJBKJRVRBKJ-OAHLLOKOSA-N 433.538 0.469 30 10 ICEE COC(=O)CCN(CC#N)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1462271698 NEYSOTHTCSIKCJ-UHFFFAOYSA-N 439.490 0.174 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1477831702 MKVXGWILRKTXNO-MRXNPFEDSA-N 443.570 0.428 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1478283879 BHRGCIUISCMSKP-AWEZNQCLSA-N 445.538 0.639 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507553549 GREZZHKLLMWWNG-UHFFFAOYSA-N 431.541 0.393 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1507984133 ULNIAAMJYQTWJB-PGGUUEOZSA-N 433.600 0.780 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508136854 IDSJCFNCZJJWEQ-UHFFFAOYSA-N 444.521 0.461 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@](C)(C#N)CN(C)C)ccc2F)CC1 1525356652 NXYMLECTCHLVFI-IBGZPJMESA-N 439.513 0.252 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539606512 HGFUGSZISDTRIR-GFCCVEGCSA-N 432.344 0.932 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1554483370 YRDVZJCPIBUXPU-UHFFFAOYSA-N 436.476 0.473 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588055707 YKDWIKPWSCHKEH-HOTGVXAUSA-N 435.550 0.815 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1=O 1618020851 CSVSONYPUKKQQY-LSDHHAIUSA-N 429.539 0.656 30 10 ICEE C#CC1(O)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1647863409 HSXKUNGDZLJHLB-UHFFFAOYSA-N 441.937 0.760 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689985840 CNCAYXTZSNUWIN-INIZCTEOSA-N 446.533 0.149 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689986415 PHGIHQLAAOFINU-CQSZACIVSA-N 440.522 0.756 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689988485 PYLYLQFOVXHUKK-SJLPKXTDSA-N 431.566 0.790 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1689988922 YUYYVQNLZNRQDE-IAGOWNOFSA-N 445.549 0.520 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689994028 PPEDGRJWQGUFCD-MRXNPFEDSA-N 440.591 0.682 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1690119446 FTHZICZLJLNCGC-UHFFFAOYSA-N 427.534 0.511 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCN(C)C1 1690264715 BBDNELHCZDRVMO-QFBILLFUSA-N 442.586 0.080 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)CC1 1690375901 WRQNWKHIPJRZSK-INIZCTEOSA-N 440.570 0.636 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1)C1CC1 1690536728 DJEGNWGYDZGHIL-CQSZACIVSA-N 426.543 0.292 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705648695 WMTKPZIFXNFPTF-INIZCTEOSA-N 443.552 0.821 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1705905491 XKCFWQKBAPADPL-UHFFFAOYSA-N 427.509 0.641 30 10 ICEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1709942705 BYTYVHFMKNTESA-INIZCTEOSA-N 437.547 0.875 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1712884005 DRLJKXBZZHDLCF-AEFFLSMTSA-N 426.477 0.813 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722508863 MSMBNRFWNXQJJG-CBZIJGRNSA-N 437.566 0.828 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1740671396 GKWPHEBXLZBAGD-KXBFYZLASA-N 437.522 0.571 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748803046 UUGJRHOPRWOTGV-JXFKEZNVSA-N 437.566 0.548 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCOCC1 1760105009 KWVJHIXJYWZDNO-HNNXBMFYSA-N 435.492 0.661 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760183862 URVHYQBSQGRTTK-UONOGXRCSA-N 441.535 0.156 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760189717 VUWHDMJVGZGWDQ-UWVAXJGDSA-N 438.550 0.952 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1760356980 AZWYYWHXFANMOI-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C[C@H]1C 1855958560 DHSIDKXUVIIYIL-GASCZTMLSA-N 434.518 0.746 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1OC(C)C 1865722280 OAKNGLCBSSMOND-HNNXBMFYSA-N 426.473 0.868 30 10 ICEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(CCO)CC3)ncnc21 1873593580 QNFMYTWSRRXHNF-UHFFFAOYSA-N 429.569 0.803 30 10 ICEE C=CC[C@@H](O)[C@H]1CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906287 YFSYPWISRIJXKD-GVDBMIGSSA-N 426.491 0.796 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 479396157 OVLGGENSZMYPMV-HNNXBMFYSA-N 426.498 0.298 30 10 ICEE CCOC(=O)c1c(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)c(C#N)cn1CCOC 481502892 QSNLHXINAHUHTL-UHFFFAOYSA-N 448.524 0.811 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)N(CCC#N)CCC#N)CC3)C2=O)n(C)n1 506641725 HCASKTFYCRRUDW-LJQANCHMSA-N 440.552 0.497 30 10 ICEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)CC2)c1C#N 571698776 MHLGGNVFQIPSPL-CQSZACIVSA-N 426.568 0.969 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCN1CCOCC1 590931921 BJWXRKLFFRNDJE-UHFFFAOYSA-N 440.569 0.416 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 603797537 HHBXTTNDIWLTLJ-UHFFFAOYSA-N 446.598 0.723 30 10 ICEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 729331265 AOSWHGGFTNKHKK-INIZCTEOSA-N 442.559 0.745 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@@H]1CCCO1 735068849 GQMWRFJNKMPTIP-INIZCTEOSA-N 429.546 0.725 30 10 ICEE O=C1CN(CCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)CCN1 781104431 UKLDHAVKRHQAHO-MRXNPFEDSA-N 433.509 0.858 30 10 ICEE Cn1cc([C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2(CO)CCC2)cn1 816687115 OIBAQJCJPXICMI-GOSISDBHSA-N 431.518 0.869 30 10 ICEE CCCC/N=C1/NC2=CC(=NCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC2)N1 952863076 BFRIRHGGZWFPMV-KBXCAEBGSA-N 433.557 0.173 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1297739589 KGARKSFTAIAJIO-JKSUJKDBSA-N 426.543 0.572 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1298541631 KXLIAIDFZRBHBE-DJIMGWMZSA-N 425.507 0.430 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300501748 NIFIQKZLWANHCD-IAGOWNOFSA-N 449.577 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)CC1 1300725071 FULFUQYEYYQVQM-IRXDYDNUSA-N 435.550 0.325 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1314558531 DDQKLPQORFGNIJ-BZUAXINKSA-N 440.570 0.865 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCCO)C1 1316354357 GRPQBKRONRVQFX-MAUKXSAKSA-N 444.533 0.606 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1358971892 MKGGLYTZFGCFAI-UHFFFAOYSA-N 449.558 0.313 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cncn1 1359015054 GHFYPKQSLZKVTD-OAHLLOKOSA-N 446.512 0.959 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1359105920 VNHQIJXENQQXNA-QSNWEANLSA-N 449.552 0.863 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359322935 FCOFTNZXHMXALY-YLJYHZDGSA-N 433.534 0.595 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(=O)OC(C)(C)C 1465544266 QUKHGFGWRZEEQO-UHFFFAOYSA-N 426.495 0.519 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 1477790833 ZHNKMKPXVTZAQI-UHFFFAOYSA-N 438.550 0.776 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CCO1 1505321513 BPXGOVWOPAGGDK-WBVHZDCISA-N 439.538 0.495 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507630736 GPPRDNMAVOONRF-HKUYNNGSSA-N 444.561 0.688 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507739255 CYXJWRXRPYYEIN-QGZVFWFLSA-N 448.593 0.478 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1539179863 SNLGROHABNOMCE-MRXNPFEDSA-N 433.490 0.457 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539216520 TYEMHCYQCLRMFX-KRWDZBQOSA-N 428.518 0.493 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539257787 WUNUGUANWUZGGV-UHFFFAOYSA-N 430.472 0.015 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnnn2C)CC1 1539466563 BSWURSXAIVZOBN-UHFFFAOYSA-N 448.491 0.068 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539626528 FAOQYRNXVPKMFX-QFBILLFUSA-N 429.525 0.955 30 10 ICEE CNC(=O)NC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560007613 MEKMFLXPVZUFMX-RBUKOAKNSA-N 432.500 0.164 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1589215822 FBXHYDFBERTPSG-DNVCBOLYSA-N 425.555 0.764 30 10 ICEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636782011 JXEWZDUUQQBYEE-GFCCVEGCSA-N 427.408 0.972 30 10 ICEE C=CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)nn1 1639557790 ZCDQSTXKMXGGDV-INIZCTEOSA-N 439.925 0.967 30 10 ICEE COc1ncc(Br)cc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1684079327 RUPUZIUJQZXEGB-NHYWBVRUSA-N 429.296 0.932 30 10 ICEE CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1696589440 DFZALMGZKBYXQV-UHFFFAOYSA-N 433.520 0.961 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H]1C 1698087206 CTDXPJRYKHTCPE-INIZCTEOSA-N 447.565 0.523 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705497463 BCSQYENXVLLUOQ-YWZLYKJASA-N 428.518 0.524 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1705661797 JDABHJFBKXHGAX-AWEZNQCLSA-N 429.568 0.203 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722360346 GLJCXWWCYVXCNP-MGPUTAFESA-N 430.534 0.389 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1722695712 NICOGZKDUPUFFM-CQSZACIVSA-N 438.496 0.041 30 10 ICEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1729227561 MOJJNNOCVUHGPC-ZDUSSCGKSA-N 440.476 0.815 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1740863075 NTDUOECXIRNMDQ-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740964810 IVHDYRYDXNUJAE-QYWGDWMGSA-N 432.525 0.336 30 10 ICEE CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1748294285 DQDISJAUWDRNSU-ZDUSSCGKSA-N 444.521 0.480 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1748817069 DNBNWMGKKGYEAN-QZTJIDSGSA-N 439.582 0.377 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748817865 RSQCRBYWVUCTFY-JKSUJKDBSA-N 428.580 0.524 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760271545 BKKKHDZMDXAABP-VQTJNVASSA-N 438.532 0.770 30 10 ICEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C(=O)NC)C1 1760301833 LPNHGMLZYQQXKF-QWHCGFSZSA-N 432.319 0.862 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2snnc2C)C1 1760535376 PSMAFYNLYQKDGD-OLZOCXBDSA-N 427.556 0.878 30 10 ICEE CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760917176 YNRRRBDTPWIHNR-FBMGVBCBSA-N 436.538 0.941 30 10 ICEE CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1766618954 ALFZKUWCHRVNDU-MRXNPFEDSA-N 448.549 0.852 30 10 ICEE N#CC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)CC1 1850034318 YEYUBABZXFNEPT-AWEZNQCLSA-N 425.477 0.447 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)n1 1852838210 JNBMCYQMLCGEKJ-KRWDZBQOSA-N 444.492 0.989 30 10 ICEE C#CCOc1cn(CCO)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870561530 QYSIWSPYNPZWOX-UHFFFAOYSA-N 425.485 0.899 30 10 ICEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060642596 ZIFYQKKTNZMORF-UHFFFAOYSA-N 433.318 0.923 30 10 ICEE CC(C)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(C(=O)[C@H](O)CO)C1 208085867 GOIHKEROJXTYLV-IAGOWNOFSA-N 434.346 0.335 30 10 ICEE CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2 215745373 HYLUNVLDXOSFLG-JOCHJYFZSA-N 435.440 0.957 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 447282115 WNTBDUAJUORTML-UHFFFAOYSA-N 436.335 0.551 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 475106784 CRWKDIAWVLJZAS-HXUWFJFHSA-N 426.477 0.217 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 480433650 CPFACUHJBRBTBR-DOTOQJQBSA-N 434.518 0.322 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccccc1C#N 515665708 YRKPXSDISYWMKY-UHFFFAOYSA-N 428.473 0.955 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 774023969 HOVYYDXYDTUQBL-CQSZACIVSA-N 442.563 0.657 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cccc(C#CCO)c2)CC1 1136751275 BDCGDEQYZYDJJC-UHFFFAOYSA-N 427.526 0.897 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286381056 LASRCDZKXMMUHF-GOSISDBHSA-N 442.545 0.779 30 10 ICEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300353696 YCESHDIPZLQARP-UHFFFAOYSA-N 444.503 0.956 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300364461 KJGJJMREMLEOFE-IXDOHACOSA-N 425.555 0.622 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300372148 OBBWBVNFZFVUTI-INIZCTEOSA-N 427.509 0.677 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1300502267 RQSNGASYKQXXRN-SFHVURJKSA-N 429.546 0.913 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1300537878 KXCKUGLJLKISQM-QGZVFWFLSA-N 435.550 0.379 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961158 SIQNJNPIOWOSMP-SJLPKXTDSA-N 429.550 0.702 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(C#N)c(Br)c1 1438311043 PZMZSWCUMKDFOF-LBPRGKRZSA-N 445.291 0.888 30 10 ICEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN(S(=O)(=O)Cc2ccon2)CC1 1459594092 OHLGWBLVFQSWQA-UHFFFAOYSA-N 428.470 0.422 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)s1 1472349920 LUUPDWPRNBOXTA-CHWSQXEVSA-N 430.504 0.176 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1 1475320995 OPKKJXANZXVYJW-UHFFFAOYSA-N 430.552 0.152 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 1475407275 JKKVWBDONRUFDW-UHFFFAOYSA-N 429.546 0.604 30 10 ICEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)OC 1504579299 IBFYIMSHHRMGOO-GOSISDBHSA-N 448.549 0.996 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630730 GOKRZASEWQBIPB-DLBZAZTESA-N 445.549 0.083 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1507718083 AVVMXRYWYQCGJH-FCHUYYIVSA-N 430.553 0.552 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(OCCOC)CCOCC2)CC1 1507725103 OXWRYPOEMWFAHK-UHFFFAOYSA-N 443.552 0.646 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1510217517 HMTZTRMXXNWLEJ-VBQJREDUSA-N 443.599 0.054 30 10 ICEE CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516872922 MFKSMCMWWYMPCW-HKBQPEDESA-N 443.533 0.704 30 10 ICEE CSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccn1 1520051341 FYLLLNCKEKNBMY-JSGCOSHPSA-N 437.551 0.782 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1539430440 JYIAZIFJTQCCHC-XMSQKQJNSA-N 432.569 0.990 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539477704 WGSIZPILCGLBQV-NJAFHUGGSA-N 428.537 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1540897133 BOCHEJXJRSVEEG-BFHYXJOUSA-N 431.584 0.581 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C2CC2)CC1 1588751399 KHSCLBOHXWYMOV-JOCHJYFZSA-N 430.553 0.600 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccnc2C)CC1 1588884793 NIIXIDUFNKANTP-UHFFFAOYSA-N 440.552 0.977 30 10 ICEE C#CCCN1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1621695850 CPDJVMZWTIUPPZ-VQTJNVASSA-N 435.546 0.993 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(-c3nc(CC)no3)cc2)CC1 1630929367 QPGXDLQFNXCGJI-UHFFFAOYSA-N 446.533 0.636 30 10 ICEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCN(C(=O)CC#N)CC3)cnn2c1 1631231629 QWAIHYQZPIOAHA-UHFFFAOYSA-N 441.492 0.995 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)NCC=C)s2)CC1 1632623636 GYMVJOMRNIZKBU-UHFFFAOYSA-N 438.575 0.039 30 10 ICEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1644637894 CCDXESUZMYTWRE-IBGZPJMESA-N 432.546 0.367 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690003787 YFZFUCFQVLHJRU-WIYYLYMNSA-N 449.577 0.673 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1691003373 GNPJWJXCIZDRDM-WMLDXEAASA-N 434.522 0.961 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705830925 YERGIJSQLPHDEJ-DNVCBOLYSA-N 425.555 0.735 30 10 ICEE CNC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1711400088 FXIYEUNMCVYCJE-GOSISDBHSA-N 434.501 0.816 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1722479420 ICYGOPDZAURPDW-MNOVXSKESA-N 435.348 0.499 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722901960 YTDTXEXZURHNMV-LVWMNBHTSA-N 427.509 0.961 30 10 ICEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1740602424 LZFLPWWOQDRWOY-UHFFFAOYSA-N 434.518 0.971 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1 1740731979 NNNNHYTVOBZRHO-QFBILLFUSA-N 448.553 0.285 30 10 ICEE CC1=CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1742486359 LTLNTSLTMUNXJU-QFPXGYFVSA-N 446.533 0.863 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748719210 WKXNGNBITKMVLL-JKSUJKDBSA-N 448.549 0.456 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682404 SYBJESGWUJKLON-JOCHJYFZSA-N 448.568 0.926 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1760187616 KLWXOMCLTFZJNO-IAGOWNOFSA-N 426.539 0.462 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1760321979 MNFKVZREVKUOIP-HZMVEIRTSA-N 439.582 0.980 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760525016 QSIWLENGJXTBKW-QZTJIDSGSA-N 431.585 0.960 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1768245565 LVFLBQNYVFZNCJ-IAGOWNOFSA-N 428.518 0.966 30 10 ICEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)c1 1772792112 GWRIIUUCWSCTII-UHFFFAOYSA-N 431.426 0.421 30 10 ICEE C[C@H]1CN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1856734782 YPTRQGVSKPQHGU-LPHOPBHVSA-N 432.546 0.832 30 10 ICEE CCN1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870045210 WREUNSGFSFVYID-KRWDZBQOSA-N 443.533 0.904 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(C[C@@H]2CCCO2)c1=O 501995070 RXDKBYWRXBNVLJ-INIZCTEOSA-N 439.497 0.235 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 509473330 RTUOOOAPPSCHON-GOSISDBHSA-N 438.532 0.862 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542729990 XTSFSRWSUOESFZ-UHFFFAOYSA-N 428.470 0.578 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 555253122 YIXBZRIWDFLXGG-INIZCTEOSA-N 440.570 0.492 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 670232867 ZWAORJRXPWPAIW-CVEARBPZSA-N 426.543 0.292 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCN1C1CC1 732706818 QDUYAVODNUQZDA-MRXNPFEDSA-N 444.517 0.294 30 10 ICEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 733673229 UBZXSPUBSLXSCJ-UHFFFAOYSA-N 449.577 0.547 30 10 ICEE C#CCN(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 774251889 PBWVBFQFQJMPGI-GFCCVEGCSA-N 431.458 0.132 30 10 ICEE C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 810161308 HNEXVTUCDUFZDJ-SFHVURJKSA-N 430.548 0.559 30 10 ICEE C#CCN(CC(=O)Nc1ccc(C(=O)NC)cc1)CC(=O)Nc1ccc(C(=O)NC)cc1 914867094 SNXLOTKOEZUJKF-UHFFFAOYSA-N 435.484 0.918 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@]2(COC)CN(C)C)ccc1F 1132761123 NIUJETMJOOXPRA-LJQANCHMSA-N 429.514 0.709 30 10 ICEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nn1 1214595263 SVGMDSCKPKOLPO-UHFFFAOYSA-N 436.494 0.815 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1OC 1286297073 USNPHHFSUNNMPL-QAETUUGQSA-N 441.554 0.120 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1286948755 WEATYODWOMHRLW-DVSFIDLUSA-N 445.524 0.344 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1300653777 NVXHOSXBIXOIPU-CQSZACIVSA-N 435.506 0.751 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301569182 RZNLUTNBPZNRQN-HUUCEWRRSA-N 438.554 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301587091 QUYMDBQLWYYUBQ-OAHLLOKOSA-N 436.563 0.745 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2ccc(Br)cc2)c(=O)n1CCO 1307388293 BFGCZMWQHWQQLM-NSHDSACASA-N 435.278 0.822 30 10 ICEE CS(=O)(=O)NC[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1308058126 FGVCUTBMMZEABE-APWZRJJASA-N 437.541 0.406 30 10 ICEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1313179730 XGFATCSXWRMIQW-IRFCIJBXSA-N 432.546 0.776 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359132855 GWUYOESKPCQXFC-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@@H]2C)C1 1359321534 HRARGKALXYVLBL-OKZBNKHCSA-N 439.582 0.682 30 10 ICEE Cc1ccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1S(=O)(=O)NCC#N 1467891097 KJQAIRSUHCXQEW-INIZCTEOSA-N 431.518 0.581 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CC1 1476327052 HYDSOYHOFVLOJK-UHFFFAOYSA-N 433.534 0.993 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1507632186 JOAYPTUMLQXGNE-SJORKVTESA-N 428.518 0.494 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1507653681 QEXWWFFIVWCAPJ-QGZVFWFLSA-N 432.506 0.337 30 10 ICEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1507994028 RCCUFJSPXWTUTI-OAHLLOKOSA-N 440.595 0.763 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1511661204 CSHVYHSPVIXIHY-RHSMWYFYSA-N 440.556 0.420 30 10 ICEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)C(=O)C1 1539132504 LYHAJDLXUYMYDM-UHFFFAOYSA-N 430.534 0.978 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1540872893 FDTSDEBIVRUWIR-LJQANCHMSA-N 436.520 0.976 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1552733580 DXPNFXCUJCTMJH-UHFFFAOYSA-N 447.503 0.934 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)C1 1557332377 XUJZYHLNIKEEGO-QXGUJMOYSA-N 426.539 0.923 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1587638658 GNFPLHOMWAPFPM-ROUUACIJSA-N 438.598 0.801 30 10 ICEE CNS(=O)(=O)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1596982598 MSSYLMISQWRYJL-QXGUJMOYSA-N 426.539 0.923 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1611710705 DIZLAILRJXXEOA-QWRGUYRKSA-N 442.452 0.393 30 10 ICEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1615916375 BFDSGIDROAVQQR-QGZVFWFLSA-N 428.514 0.979 30 10 ICEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)N4CCOCC4)[C@H]3S2)cc(OC)c1 1616175341 VCKWYDDAGHGCQZ-DUQPFJRNSA-N 437.518 0.365 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1F 1639821301 BTPHIZDEYRQHMH-SUMWQHHRSA-N 427.479 0.300 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689980601 VBYRWAUHEYDGNO-ZNMIVQPWSA-N 443.595 0.561 30 10 ICEE CCCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1695280073 WMFGGQPYAGGHPB-QAPCUYQASA-N 444.533 0.870 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705562216 YWUHUVZKCNEQDB-MBOZVWFJSA-N 438.550 0.736 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 1705843404 DQYMRUJGIKQIOQ-INIZCTEOSA-N 442.586 0.344 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722462338 MEINFKRPFFGZKQ-QZTJIDSGSA-N 432.594 0.924 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1740623575 WXMXEULIZGDYBM-QFPXGYFVSA-N 444.517 0.309 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCS(=O)(=O)CC2)CC1 1740707613 JABQIABJYYWRDA-UHFFFAOYSA-N 437.566 0.605 30 10 ICEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740899182 HWLJSZQAKBRUNJ-FQEVSTJZSA-N 447.565 0.624 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1748823800 BPEINFSMYKGVMO-SFHVURJKSA-N 445.545 0.849 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749668816 FKJHLHNNXACWOV-IRXDYDNUSA-N 437.566 0.878 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749681180 XXEKFKNKSXCEFB-MRXNPFEDSA-N 440.504 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760529866 HWQIUNAXCWCMOD-MRXNPFEDSA-N 433.513 0.006 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1762301726 HAAHRBPGBKXMKS-OAHLLOKOSA-N 438.554 0.750 30 10 ICEE O=C1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1771571901 CIUQYOCGFHHSKW-VLGSPTGOSA-N 442.867 0.456 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447281904 UTMWTLGTZMGKHT-UHFFFAOYSA-N 432.452 0.735 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccnc3C#N)CC2)cc1OC 477058193 PBBSRNDVPPYUCI-UHFFFAOYSA-N 446.485 0.882 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 514328879 NNMORMQQCAIDQQ-UHFFFAOYSA-N 432.571 0.333 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 801126405 HKYLPJKRHQLTOE-DOTOQJQBSA-N 437.518 0.556 30 10 ICEE CS(=O)(=O)N1CC(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1138673892 FVKYNNRKAXUBCB-UHFFFAOYSA-N 427.324 0.765 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)CC1 1175514647 BYLNMGKJVAGHAG-QGZVFWFLSA-N 426.926 0.519 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286391950 KBEOTUDVPFRGAY-OAHLLOKOSA-N 442.588 0.602 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC=C 1286400515 BBVUROJGBUQQLE-UHFFFAOYSA-N 440.529 0.570 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1286955346 XBVCTJPYPBKTHD-NRFANRHFSA-N 425.493 0.957 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1300764647 ZMGCLJJFTCSIAP-ILXRZTDVSA-N 431.559 0.772 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301724112 CZYXULMFTDCJRO-HXUWFJFHSA-N 444.517 0.035 30 10 ICEE C[C@@H](CC(=O)NCC1(S(=O)(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1303699340 PUFJZACTCJMWCA-LBPRGKRZSA-N 428.536 0.044 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1358975879 IBPQMIOGNKTAPB-UHFFFAOYSA-N 427.534 0.789 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](COC)OC)CC1 1359040508 XKSSTBCBXKITCP-KRWDZBQOSA-N 432.525 0.141 30 10 ICEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359240310 LEKIUEFJDHDTQJ-DLBZAZTESA-N 438.598 0.745 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1359281586 DRXSXWJMMLVHQI-INIZCTEOSA-N 441.554 0.068 30 10 ICEE COC[C@@]1(C(=O)OC)CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1461534463 SNHGCFLXPYHBNM-IIBYNOLFSA-N 428.445 0.944 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)c1 1507550076 FEBXNAYZMWSJHI-MRXNPFEDSA-N 444.517 0.330 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(OCCOC)CCOCC2)CC1 1539446316 BKQAADSZQSQZID-IBGZPJMESA-N 433.553 0.749 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1540074222 WTBJQBNBXRPICN-MRXNPFEDSA-N 436.538 0.463 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1540894003 OOGUBOJARKKADI-SFHVURJKSA-N 447.561 0.985 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588058850 DOQQEAIIVVCSLW-SIKLNZKXSA-N 444.557 0.955 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1595467511 WRKQEFXKWZBQIF-UHFFFAOYSA-N 431.541 0.559 30 10 ICEE COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1619600675 BIEMDBFTQXXQLK-IAGOWNOFSA-N 440.508 0.484 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)C2CCOCC2)s1 1641041421 WINFNAJAIQCYLL-UHFFFAOYSA-N 436.577 0.465 30 10 ICEE CC#CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679170513 URXSIXFDEHXVPG-INIZCTEOSA-N 439.534 0.930 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1705565251 HOVRGIXPIBXREI-SJLPKXTDSA-N 449.577 0.667 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567140 UYEDGSASAINKGA-PMPSAXMXSA-N 435.550 0.671 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1705687746 IZGMYPVYCISLFA-GFCCVEGCSA-N 444.355 0.900 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1710328782 GQQXDDWJMBYRMM-CZIZESTLSA-N 444.540 0.186 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC)C1CC1 1722650445 ATOWPDAWDSZDBU-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1729396464 FLVQJGNCASIUSY-QGZVFWFLSA-N 426.506 0.980 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(=O)N(C)C 1743232484 GDRVZHRTXFSWNP-INIZCTEOSA-N 446.519 0.729 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1749130562 MDRXLBUFJWQSOA-XHSDSOJGSA-N 446.595 0.642 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749669252 DVRHHSGZZCZIEJ-INIZCTEOSA-N 435.492 0.125 30 10 ICEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760139736 NCZYSPWIIALTCT-MRXNPFEDSA-N 427.534 0.584 30 10 ICEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769931821 QFMIBKSFBCCJIJ-SFXXBHMCSA-N 445.524 0.480 30 10 ICEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608893 PZFKNALKRRRTCF-MRXNPFEDSA-N 430.314 0.764 30 10 ICEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2271688046 FKLDUCHCPHGAIC-UHFFFAOYSA-N 448.329 0.830 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NOCC(N)=O)c(Cl)c2)OC1(C)C 2282509120 GSOBVYBZNXNKFU-UHFFFAOYSA-N 425.099 0.988 30 10 ICEE C#CCOC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286035948 FUOKDWBHQWSSAR-SFHVURJKSA-N 438.502 0.898 30 10 ICEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330742725 FXIKOAGJPFGWCU-UHFFFAOYSA-N 435.422 0.053 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 446869573 YUOQLOBITGDGFA-LJQANCHMSA-N 445.564 0.908 30 10 ICEE N#Cc1cccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)n1 546891015 WXZDDHBEOCULBR-UHFFFAOYSA-N 435.531 0.384 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 566942516 SZEJYYRRHCCNJW-MRXNPFEDSA-N 436.586 0.872 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)cn1 727417938 LSDNLVOOOGBJTQ-UHFFFAOYSA-N 425.470 0.070 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 815077229 DLHJNRCLNBKBDX-MRXNPFEDSA-N 434.331 0.881 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCN1CCOCC1 916201612 VBHYQRPDAQILCX-UHFFFAOYSA-N 432.452 0.870 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 918756245 MMPSICCJIXXWQQ-RDJZCZTQSA-N 442.534 0.875 30 10 ICEE COC(OC)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1171867613 IXMRWCRWTMWTQK-MRXNPFEDSA-N 435.550 0.220 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 1175514773 IHKFTHXKINHDBC-UHFFFAOYSA-N 443.316 0.800 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 1222954684 YIPNBFMCVOIQIB-MRXNPFEDSA-N 445.586 0.721 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C[C@@H](C)O1 1252035133 KWRMSWVWHKYCLB-ZIAGYGMSSA-N 427.552 0.801 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286711558 MQEHYKCEAYAFGI-SFHVURJKSA-N 434.541 0.949 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1288526412 VAJGPPXTMIRTJN-RDBSUJKOSA-N 448.496 0.774 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1299094700 DRJAPTKZFTWSEE-INIZCTEOSA-N 425.493 0.779 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358961799 FKFBUYGTZMRYNP-OAHLLOKOSA-N 429.568 0.112 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1359282319 XARAPKAYROUBOE-IAGOWNOFSA-N 441.554 0.595 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1443353665 GJXHWBONNOETFJ-PKOBYXMFSA-N 427.423 0.081 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC(C)C 1507636995 LXQFBFLQKXFDKS-UHFFFAOYSA-N 429.506 0.326 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508159421 NPRSFLUOFVKSBQ-KBPBESRZSA-N 428.584 0.666 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539230447 HTMOMEMZOOUKCE-QGZVFWFLSA-N 439.582 0.552 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1540005633 MUUVLXVEBYULKL-QGZVFWFLSA-N 440.570 0.636 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540036644 QLBUYIWZFWBTBT-HNAYVOBHSA-N 439.538 0.804 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1540871809 UOVOGQHFYJKQDW-KKUMJFAQSA-N 426.543 0.005 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540902423 IRVJOVTWFSJSLY-RBSFLKMASA-N 426.495 0.887 30 10 ICEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555150179 MKBBZAALDUGNON-BAEHRGANSA-N 429.481 0.371 30 10 ICEE O=C(N[C@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1556782519 JWSNSTBMAHGGLO-OLZOCXBDSA-N 431.536 0.784 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)C[C@H]1CS(=O)(=O)C2 1558510785 BGOQRCNCIIPWOD-XPTSAGLGSA-N 448.320 0.107 30 10 ICEE CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]2CCN(O)C2=O)cc1 1569561013 ODGJSNGLBFYCFG-JKSUJKDBSA-N 439.534 0.624 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588074310 LYLSKTRKHUHALP-ZWKOTPCHSA-N 443.529 0.904 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1588923652 HNSACMFUHGHSQY-ZWWNWMABSA-N 428.537 0.746 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C2CC2)CC1 1595608760 XKIODEWMMJQLKQ-LPHOPBHVSA-N 446.552 0.799 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc[nH]n1 1639286606 DHQPMQFREAZVTN-NSHDSACASA-N 433.387 0.611 30 10 ICEE Cc1ccc(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1B1OC(C)(C)C(C)(C)O1 1639377503 ZOYQQIXYYZLVHG-UHFFFAOYSA-N 434.327 0.887 30 10 ICEE CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CCC[C@@H](C#N)C2)cc1)S(C)(=O)=O 1685892615 FRRCOIMYYAWCSW-AWEZNQCLSA-N 444.535 0.736 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](COC)OC)c1 1689870341 KVMJNPVDRGYTKW-MSOLQXFVSA-N 440.504 0.947 30 10 ICEE CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1690870195 GOEWCEQDSVKTJY-FQEVSTJZSA-N 432.504 0.007 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCN(C)C2)C1 1705924130 BGGLNAVPCBALKF-MDZRGWNJSA-N 425.555 0.028 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1722359276 RHZIIDAJFAKZJZ-MRXNPFEDSA-N 437.566 0.860 30 10 ICEE C#CCN(c1nnc(C)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1722362327 AJNIVQLOQLXMCU-AWEZNQCLSA-N 427.328 0.872 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)CC1 1722437685 OZWGTPJTKHUUBN-IBGZPJMESA-N 429.546 0.476 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722697878 SNKMSWWQOCRVEZ-GFCCVEGCSA-N 438.510 0.177 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(N)=O)nc2)CC1 1740703923 HGNBZOCTDDEKHY-UHFFFAOYSA-N 444.499 0.848 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740705248 CVCZVSRCFRDYHQ-INIZCTEOSA-N 429.525 0.431 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740716524 SZCOKFDJOBLQOC-HNNXBMFYSA-N 440.595 0.504 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1748809891 QDWBMNDRNUIUOH-HNNXBMFYSA-N 444.496 0.788 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811211 DBQJMESUTGNTPX-MRXNPFEDSA-N 433.538 0.174 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CC)CC1 1760269297 DWJLJJQOFGAWKV-JXFKEZNVSA-N 437.566 0.307 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760512154 JAXOGMJULBSLGR-PKOBYXMFSA-N 429.569 0.965 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760530523 RKYUAWJOLUKUKE-JIYIMXKPSA-N 435.525 0.689 30 10 ICEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1761779207 CIAKLBDSWSFLEB-ACJLOTCBSA-N 437.501 0.386 30 10 ICEE C=CCN1C[C@@H](C(=O)OCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1=O 1852700835 NINUQOZHYKQEGS-SFHVURJKSA-N 435.546 0.879 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCOCCO 1870545102 CFRGWXCKZVJFAY-FQEVSTJZSA-N 449.548 0.705 30 10 ICEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)C1 2243022077 FIFNOIZVZDBONK-UHFFFAOYSA-N 429.514 0.964 30 10 ICEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2248480596 YZIPSFFJRSCVFD-AWEZNQCLSA-N 442.343 0.675 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)n1 2255868041 JMNNIKOHJICUHU-IBGZPJMESA-N 439.322 0.120 30 10 ICEE C[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H]1C[C@H](O)[C@]3(O)[C@H](C)O1 104676244 QBQXQYSJPWXZJL-KOSFJRRHSA-N 444.392 0.288 30 10 ICEE biogenic COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C 502046150 WQSKAFIPECSOTF-OAHLLOKOSA-N 437.525 0.595 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514305741 DTNDPBGZCTYSAE-INIZCTEOSA-N 445.516 0.884 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1 538497849 SNZINBXHBBKANR-UHFFFAOYSA-N 426.498 0.319 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)O)cc1 560909368 KQXCAFFVZIFKIB-VQIMIIECSA-N 443.529 0.638 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 576889859 PNBZNCWHEQRFHB-QZTJIDSGSA-N 436.557 0.605 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 735173208 TXQOFRMYUMIAFQ-HUSAPJIJSA-N 443.551 0.655 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 772699716 FFHBWTZEUSDPEA-IRXDYDNUSA-N 440.543 0.406 30 10 ICEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134274809 BCNCMIUPDQSOFC-IYOUNJFTSA-N 440.547 0.376 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@H](C)CC 1286447840 NTFVGGHNNUPSHQ-CVEARBPZSA-N 440.570 0.375 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286758680 UGGOJLXXJFXSHW-CVEARBPZSA-N 443.595 0.640 30 10 ICEE CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1299321529 FSWXINOKQYTJEK-LBPRGKRZSA-N 425.540 0.415 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCOCC1 1300464329 BGTUBJCNKJSCHZ-QGZVFWFLSA-N 441.554 0.266 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1300464389 CJWTVJQDDQPGKT-JKSUJKDBSA-N 433.538 0.140 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1300780313 PIDIMVDNGIIHHR-RLFYNMQTSA-N 443.595 0.848 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1301520151 UXFZATKGSHKJFK-UHFFFAOYSA-N 443.508 0.629 30 10 ICEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315043179 KDUOZTJCEKCYPA-MRXNPFEDSA-N 442.524 0.731 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CCO1 1316540613 MVKHBAYJFGSKII-HOTGVXAUSA-N 431.522 0.806 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959745 PBAAIKXZQYFZHI-WIYYLYMNSA-N 441.513 0.595 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359292122 IPBKHSABGVOVJF-VNHYZAJKSA-N 426.543 0.194 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1359293883 CJFUUWSZEBKXEN-CQSZACIVSA-N 446.533 0.318 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)O 1360240315 FRIGQKJVJYOTCH-CQSZACIVSA-N 427.513 0.564 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507731308 FNFXAKGEHNSYGH-DPPKGPFUSA-N 439.520 0.454 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1508235369 DTLIBXIAQGTNFX-KRWDZBQOSA-N 428.518 0.920 30 10 ICEE COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1519189682 AFJDLJNSHRRSCB-ARFHVFGLSA-N 438.554 0.271 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1519600298 WFAWDVYZVUWHTF-WMLDXEAASA-N 448.505 0.459 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1525109721 QJLHTRMHTPAWSW-IBGZPJMESA-N 447.557 0.777 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541936118 XQZDPSZUGMNHEN-AFIMGQEJSA-N 426.543 0.558 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588053232 BIYHOCAOOXZHHE-QYWGDWMGSA-N 449.577 0.797 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588064226 DKWRUOGHMMVXEW-SFHVURJKSA-N 425.518 0.672 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H](C)C2)CC1 1588813778 ZYNLYLSMHWOGOB-MOPGFXCFSA-N 434.610 0.667 30 10 ICEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594820095 TUJPAUPRTOPAQR-UHFFFAOYSA-N 448.568 0.577 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCCCCO)cc1 1620350055 AKZBKXSEUPCZTN-SFHVURJKSA-N 437.504 0.516 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)CC1 1660574731 MANHDOXLIZVFMZ-UHFFFAOYSA-N 430.477 0.655 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1689826308 LVMWFOMWQIJSPR-LSDHHAIUSA-N 428.522 0.975 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1690714814 VWLHDRSSVLCUHP-OAHLLOKOSA-N 436.542 0.450 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)NC 1694125938 FQICNNWIRHTJMZ-HUUCEWRRSA-N 447.569 0.718 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)CC1 1705638668 SAKCFXWUIQLJSB-LJQANCHMSA-N 435.532 0.643 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705935921 GPZPJYNWENHOOA-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722342273 VSTZBDCNZNXSQJ-ULQDDVLXSA-N 442.524 0.947 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722367230 VPRVRGAVBUDVES-FXAWDEMLSA-N 440.566 0.982 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1722389831 MMOROHZXEGXQGJ-GOSISDBHSA-N 449.625 0.377 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1722640902 UPOIPFRDAOGWIT-CQSZACIVSA-N 428.559 0.538 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722694667 DFHOOFMKZMLNPQ-CQSZACIVSA-N 441.492 0.478 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1728522849 FVCFBVQWKXQGPZ-MRXNPFEDSA-N 446.533 0.878 30 10 ICEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1729748341 ACOGMNPLPDAOGL-INIZCTEOSA-N 432.506 0.755 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1740605583 UQCZGOVMZOCYGM-OAHLLOKOSA-N 426.506 0.815 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)[C@H](C)CC)CC1 1740706260 REDVVAIZEBOWNW-ZWWNWMABSA-N 430.553 0.992 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749650914 JGMPJNOTSCKEAH-YCRPNKLZSA-N 441.492 0.612 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1750994951 DIWCXOKMTRRWLY-MRXNPFEDSA-N 425.493 0.955 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1760199359 VAFIBPFMRVIBEQ-UHFFFAOYSA-N 431.504 0.716 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1771111902 ACQGWIJVNYXWJJ-RHSMWYFYSA-N 429.568 0.415 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)n(C)c1=O 1891335737 DSFHCHIQWGBQBY-HNNXBMFYSA-N 437.460 0.018 30 10 ICEE C=CCNC(=O)NC(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195276590 JCBDMCDHOBNQHT-JGVYIQDASA-N 439.490 0.905 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 509012762 QWUXQFIXMQASBS-TXPKVOOTSA-N 441.554 0.571 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c1 543109827 WBCOEXCKMMNCGN-QGZVFWFLSA-N 431.518 0.805 30 10 ICEE COc1cccc(N2C[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2=O)c1 562121751 KCIHFJZUUBVNLB-OAHLLOKOSA-N 428.470 0.767 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603989528 BYACYKMGAPZVRA-ZDUSSCGKSA-N 446.510 0.840 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 609311417 YVUXDNDASSANOM-ZDUSSCGKSA-N 444.469 0.255 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 755111400 VEKFMLIVMOXBSD-LSDHHAIUSA-N 429.539 0.704 30 10 ICEE CNC(=O)c1cccc(OCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 758838892 ZILAEBPBIFMTLF-UHFFFAOYSA-N 441.444 0.485 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C)c2=O)cn1 772278726 NEQUPSUQCJUDOJ-UHFFFAOYSA-N 435.509 0.770 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1135918222 KSVJCSCIPJEUBK-UHFFFAOYSA-N 439.310 0.606 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1=O 1177584541 QQJRRJLLQUKEKN-UHFFFAOYSA-N 437.497 0.069 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCOCC1 1286726892 KIMNMCYAEJRFCT-KRWDZBQOSA-N 442.586 0.346 30 10 ICEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301026933 FNMJHXNQAUGVND-UHFFFAOYSA-N 449.928 0.755 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301045754 WVZYLQFOBZTUOY-CHWSQXEVSA-N 442.929 0.405 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301498320 MUJWEQQAKQGQML-DFYVNMARSA-N 430.534 0.905 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359304156 OFOPWQOGJXSJBR-AWEZNQCLSA-N 445.549 0.629 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NC)C1 1359314152 WWQMPOPTAUMHJW-KBPBESRZSA-N 428.559 0.442 30 10 ICEE C=CCN(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1442037584 XTQYIGIHTAXCSH-UKRRQHHQSA-N 436.939 0.181 30 10 ICEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCN(C)CC1 1442999778 GHSXWCRDUMUBTP-CQSZACIVSA-N 428.468 0.979 30 10 ICEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1472491599 OIGZTSCRJSVNBX-MRXNPFEDSA-N 425.532 0.450 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1503831421 PJFBRVSPNVKMAX-CABCVRRESA-N 432.462 0.480 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632613 OHFRSIKAGKLUKQ-KURKYZTESA-N 437.566 0.129 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1516850414 GRZGSQQOLOMZPA-YOEHRIQHSA-N 444.583 0.250 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539631550 MBFPUWUZCOXVII-ULQDDVLXSA-N 425.555 0.845 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 1543572397 FQUNATUXNAOZIR-ZWKOTPCHSA-N 439.472 0.659 30 10 ICEE COCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1555417071 GCIPENZUFCSLOO-RDTXWAMCSA-N 428.559 0.806 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1555812825 IYUTVAMKHIBJEB-QGZVFWFLSA-N 443.533 0.613 30 10 ICEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCCC(=O)Nc1ccccc1C#N 1556372543 HNFRZFBBIHOGDS-UHFFFAOYSA-N 429.521 0.916 30 10 ICEE CN1CC[C@H](N2CCC(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1=O 1556527150 QOOTUWSUXANZJV-KRWDZBQOSA-N 447.561 0.317 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1588138749 IPIZHOXJGZDTGC-MRXNPFEDSA-N 426.564 0.468 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1593735246 AGHZQLQDXRRGOL-MRXNPFEDSA-N 432.481 0.550 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593746493 GRXTXEBKULGBEM-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1595476170 IQBJCJWNQGKNBT-KKUMJFAQSA-N 426.543 0.338 30 10 ICEE Cc1ccc(C(=O)NC(c2nccn2C)c2nccn2C)cc1S(=O)(=O)NCC#N 1629669154 FEHYYIXPHUNTSR-UHFFFAOYSA-N 427.490 0.783 30 10 ICEE COCCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCS(=O)(=O)C1 1631260789 SYRYIEFRWZYFPZ-ZDUSSCGKSA-N 432.495 0.789 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)s1 1634573338 XDDPUMDEJIJTRZ-SCLBCKFNSA-N 428.532 0.793 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689988547 ROQDIRLWZGBXHO-CVEARBPZSA-N 441.579 0.206 30 10 ICEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCN(C)C1 1690072705 QIEARAQESDQDNE-FQEVSTJZSA-N 431.566 0.764 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1690104092 MEZXPJSWDQNLRT-IAGOWNOFSA-N 441.554 0.266 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCS(=O)(=O)CC2)CC1 1690132101 HLOHXRLJXSNRMT-UHFFFAOYSA-N 445.593 0.720 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2snnc2C)CC1 1690150309 CHEHMMGKKAPWEH-UHFFFAOYSA-N 442.549 0.575 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690345781 CWLSHRFNKNBBQV-MLGOLLRUSA-N 432.934 0.065 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1705904711 VUUKXELBONOCRD-OAHLLOKOSA-N 436.513 0.725 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1706651407 REKLJPKGTMDHIL-UHFFFAOYSA-N 435.492 0.895 30 10 ICEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1709464110 CEYUDKWLAWLGHP-XHSDSOJGSA-N 438.554 0.461 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1722731176 GATJTSAWVKJWSN-BEFAXECRSA-N 441.554 0.198 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740615370 BWZRZXXHJJXVEP-MRXNPFEDSA-N 437.566 0.738 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1740625537 QVTQVYOVNBLRCO-RBUKOAKNSA-N 435.594 0.704 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740705900 NWSJIBZYOFGJMU-VGOFRKELSA-N 428.537 0.964 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740961109 LYLNABABYGCSHE-UHFFFAOYSA-N 439.564 0.690 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964808 IVHDYRYDXNUJAE-GCKMJXCFSA-N 432.525 0.336 30 10 ICEE CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1748266948 DAHMYVVVHKYJJO-UHFFFAOYSA-N 437.508 0.243 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1748945543 TZBHDBKPIRTOOT-INIZCTEOSA-N 434.497 0.557 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749971550 CYIVENQPPKRJBY-QTIQAUKSSA-N 443.508 0.761 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760297237 MABZEOPXBWZQCG-UXHICEINSA-N 432.550 0.681 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1769148367 JFDUNMUKRQQCHE-GOEBONIOSA-N 425.493 0.826 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1769241687 CPBVPYAHSUNTEY-LAUBAEHRSA-N 426.477 0.573 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267146185 LTDQZMOPHMTGSP-CYBMUJFWSA-N 448.329 0.905 30 10 ICEE CS(=O)(=O)O[C@@H]1[C@@H]2COC(=O)N2C[C@@H](OCc2ccccc2)[C@H]1OS(C)(=O)=O 381050150 GUNFRRUVPOHSNU-GBJTYRQASA-N 435.476 0.096 30 10 ICEE CCOC(=O)C1(COC)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 483202684 ZOUVPHNMXCAAFI-UHFFFAOYSA-N 433.509 0.795 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cc1 488275357 WPUWHOYQQAXEJB-WOJBJXKFSA-N 439.516 0.940 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2C(F)(F)F)CC1 611178900 OKJHSDXAMSCQRD-MRXNPFEDSA-N 446.451 0.654 30 10 ICEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)cc2s1 755047045 DPUWNELCBCSCKK-UHFFFAOYSA-N 430.536 0.899 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)oc1Br 760540890 ZJXXGLRPNGADPH-SECBINFHSA-N 440.293 0.640 30 10 ICEE CO[C@H](C)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 764190124 WWWAEUJVWXRBDM-CYBMUJFWSA-N 429.520 0.440 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 775690996 TTXARWXGLHLLCP-LLVKDONJSA-N 441.453 0.128 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802564674 IJAPKAAHLVXUOU-MRXNPFEDSA-N 428.559 0.651 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1n[nH]cc1I 1148281140 ZJWLACNCXVYAOX-UHFFFAOYSA-N 431.215 0.692 30 10 ICEE N#Cc1cn(C2CN(C(=O)C3CCN(C(=O)COc4ccccc4)CC3)C2)c(=O)nc1O 1180990691 ZGYLLCIAOXUEBL-UHFFFAOYSA-N 437.456 0.521 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286343071 TZJKXMSKDRUOGI-CQSZACIVSA-N 446.599 0.162 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1286394938 PVPCMSXGCJRBMZ-MRXNPFEDSA-N 428.580 0.704 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1302470260 NVJAQFRZVARCHJ-QGZVFWFLSA-N 430.490 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)CC1 1302925119 XLNHUGOFYYBXNZ-CABCVRRESA-N 442.492 0.509 30 10 ICEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1306488399 YTQIFULLKOOHQS-IDOMTICXSA-N 435.488 0.842 30 10 ICEE Cn1c(N2CCN(Cc3ccc(Br)cc3)C(=O)C2)c(C#N)c(=O)n(C)c1=O 1307186217 WFECYSNTWPVOBX-UHFFFAOYSA-N 432.278 0.567 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 1309596945 AUUSWADMYKLSCZ-UHFFFAOYSA-N 428.898 0.574 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316351804 UXNGFDFUFSGKME-INIZCTEOSA-N 433.538 0.511 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1358889441 BTWYCCMFJGEUAF-QAETUUGQSA-N 425.555 0.742 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(N2CCOCC2)n1)[C@@H]1CCS(=O)(=O)C1 1358956666 JEMXWHCBBCLCFG-GOSISDBHSA-N 430.534 0.493 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1358976433 DXZAXPJIMGNLHT-UHFFFAOYSA-N 425.474 0.216 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccc(Cl)cc2)C1=O 1470351893 PKHIHMAOBYSLOD-HUUCEWRRSA-N 437.836 0.398 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630724 GMRCVGHYDIEMQK-HNNXBMFYSA-N 445.549 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)CC1 1507735721 FXQXVEIHQMUXMX-JOCHJYFZSA-N 446.552 0.373 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1508073365 WGDCKTBOWUTNKP-HNNXBMFYSA-N 425.493 0.761 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC2(CC1)COC(=O)N2 1508141729 YAWZTHAHQPXOHK-UHFFFAOYSA-N 433.494 0.415 30 10 ICEE CCS(=O)(=O)NCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1516850577 IAKCUZHORRDMTC-MSOLQXFVSA-N 444.533 0.700 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1519447258 CPCFJWZZMBTDLC-NMLBUPMWSA-N 448.568 0.968 30 10 ICEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1538540014 PGQAPWHPELRAPB-VHFSOBRXSA-N 430.486 0.581 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1539462807 ZRHVCAYMNKGQFC-JOCHJYFZSA-N 428.512 0.818 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1540171246 XMPWRLONXZNWBI-HNNXBMFYSA-N 426.543 0.268 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540902420 IRVJOVTWFSJSLY-ILXRZTDVSA-N 426.495 0.887 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540906068 ZTDRZOPVRNTKHL-UHFFFAOYSA-N 438.598 0.576 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 1544248523 USMGPQHNBDAWNR-UHFFFAOYSA-N 435.437 0.431 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1554445163 WUMIOGXRYJPGDE-ROUUACIJSA-N 426.477 0.573 30 10 ICEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1597362023 OJDAQAHTPHCWBP-YJBOKZPZSA-N 425.532 0.369 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1620176650 UJYNOBSBZRXNDK-HNNXBMFYSA-N 444.583 0.250 30 10 ICEE C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 1641858461 OZQPRXYDJBWHKV-FQEVSTJZSA-N 447.557 0.844 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2=O)cc1 1680778800 MVALHGFJPIJRDS-QZTJIDSGSA-N 425.489 0.332 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689990723 QYMYRFKZDXSYQS-ROUUACIJSA-N 444.561 0.918 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1690721118 YCMUZCYCSJPRKY-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690972861 LILWCLRRUSKAPH-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692235728 QLGAFQLJDUEAQM-AMGRQBIBSA-N 442.524 0.559 30 10 ICEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1698486330 KAPHJTDKEHOWHM-LSDHHAIUSA-N 429.431 0.913 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1705939344 CVONYIIOFJCOQD-LBPRGKRZSA-N 426.572 0.728 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1711960646 CWXIKUYQFKSSAF-OAHLLOKOSA-N 426.477 0.965 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1722317013 PSFCSMYJFAHGKI-HNNXBMFYSA-N 428.580 0.997 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1722368063 PEFCYHQKDSAQBX-GDBMZVCRSA-N 441.579 0.064 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722411042 WVRXTXNFMUZFEJ-OAHLLOKOSA-N 427.509 0.943 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1722462288 UVNRRMLPNJKQAB-JYJNAYRXSA-N 443.595 0.591 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1724017809 FVAQYDHHEFGQTE-HXUWFJFHSA-N 443.533 0.554 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949667 OKCRPFXOFIUJPC-NRFANRHFSA-N 434.541 0.678 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N(C)C)C1 1740971021 SPQBJKZTSAXVKD-HNNXBMFYSA-N 426.543 0.187 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749103897 GPSIDBHDIJNZKE-MLGOLLRUSA-N 444.355 0.805 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)CC1 1760254332 UZRNMXMPKAZILE-KRWDZBQOSA-N 438.598 0.993 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)NC)CC1 1760264559 SPXVACFUPKAZTC-UHFFFAOYSA-N 446.577 0.778 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760553662 GCNPCIRZXWRVIT-UHFFFAOYSA-N 433.538 0.882 30 10 ICEE C#CCNCC(=O)Nc1c(I)ncnc1I 1983726552 HJQZYMXONKPOLN-UHFFFAOYSA-N 441.998 0.847 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2247931271 MHRNNBNIUBMAFM-UONOGXRCSA-N 442.343 0.770 30 10 ICEE Cn1nc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255843411 GYAVSPHJEPUWQZ-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC2(C1)OCCO2 2282848416 NICCEGYODZHROG-ZDUSSCGKSA-N 427.332 0.683 30 10 ICEE C#CCCN1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286040569 RJDTZFVWAAJGAP-GOSISDBHSA-N 437.518 0.773 30 10 ICEE O=C(O)CCN1C/C(=C\c2ccc(/C=C3\CN(CCC(=O)O)C(=O)C3=O)cc2)C(=O)C1=O 32105023 QUGQBYMECKHNDP-KAVGSWPWSA-N 440.408 0.225 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC3)C2=O)n(C)n1 409514663 QYVDRKRGUQDKRX-NVXWUHKLSA-N 437.570 0.178 30 10 ICEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 480909426 MZXAJSMKUJUPKP-UHFFFAOYSA-N 435.531 0.681 30 10 ICEE C=CCc1ccc(OC[C@@H](O)CN2CCN(CC(=O)N3CCOCC3)CC2)c(OC)c1 497618855 QEVWHMKQDWXKOM-FQEVSTJZSA-N 433.549 0.640 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C)C(=O)NCCCOC)CC3)cc2C1=O 505990156 FFHQTTLZARLHGP-MRXNPFEDSA-N 442.516 0.768 30 10 ICEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 514475124 NBLVDMQMECMRCV-UHFFFAOYSA-N 438.553 0.332 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 603797147 CSNIMRQHMOAKEZ-UHFFFAOYSA-N 430.555 0.109 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 726574521 HKKJPDNMIIXNRS-OAHLLOKOSA-N 429.546 0.094 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 735173098 PIYMAEPXILPOMK-XSOQZJFOSA-N 443.551 0.655 30 10 ICEE C#CCN(C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 778642895 VSNCFZGBECGIPZ-AWEZNQCLSA-N 428.457 0.894 30 10 ICEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 781519218 PITZCVHJOBIHEX-KRWDZBQOSA-N 441.488 0.447 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CC(C)C 837697574 VLIMVSZBMAAVKO-UHFFFAOYSA-N 434.525 0.952 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCCO1 1226724687 MRJJSSZDFXLRQM-IAGOWNOFSA-N 435.502 0.655 30 10 ICEE C#CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286361297 ZXZXSKBQVRSNIK-JOCHJYFZSA-N 446.552 0.918 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1286715417 YXKOXTDAOWNTOZ-UVPYHEFZSA-N 448.549 0.318 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCCn2cnc(C#N)n2)CC1 1312662245 ONNVZSNYBWTWIM-HNNXBMFYSA-N 446.512 0.403 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1358960971 PKEOVKOMSFCMRY-OXJNMPFZSA-N 428.518 0.445 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359132296 STGIFTQXDVTSAR-HUUCEWRRSA-N 426.543 0.340 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC)C1CC1 1359251580 PBTISICWIRTFRI-OAHLLOKOSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1359292623 UCOYERYDHIEUNI-AWEZNQCLSA-N 445.911 0.475 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359305212 WMCCREABQGZVEN-OAHLLOKOSA-N 428.493 0.835 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2cccnc2)c1 1471076148 MKHWFECTEQRCOQ-MSOLQXFVSA-N 433.486 0.941 30 10 ICEE C#CC1(O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1473671418 FNCCDIBLQZJHOD-UHFFFAOYSA-N 435.546 0.731 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1507537381 HYEMNXHHVJRPMD-IAGOWNOFSA-N 447.565 0.966 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1507638559 SBDCIIGTWKNUJF-HXUWFJFHSA-N 425.581 0.861 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1507654271 XWUZMUZVOGXTJL-QGZVFWFLSA-N 442.520 0.962 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507751411 NXISJAIOIVFVBY-ZBFHGGJFSA-N 425.580 0.604 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1517105510 JRUCBYCAVMMSCP-DLBZAZTESA-N 428.518 0.967 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1539212376 VKQXGKHBSLTDET-QGZVFWFLSA-N 440.533 0.957 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F 1539249726 ATDRKTDFGCSYHL-UHFFFAOYSA-N 443.393 0.672 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539430155 HJDAUMVJFXRMOS-SQGPQFPESA-N 438.598 0.991 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCOC2=O)CC1 1539430770 NOLXRIHBXNBAAY-JOCHJYFZSA-N 446.552 0.916 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1540871402 KZUOBWHVKOYQQF-ZNMIVQPWSA-N 426.543 0.148 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1540876658 XQPGFQZJUOBXJE-KXBFYZLASA-N 441.554 0.246 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1540908035 AYFPGSPZALHZGW-BEFAXECRSA-N 441.554 0.198 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1545051455 MRPPBXHLOLBZIK-JGWKNBOWSA-N 429.481 0.152 30 10 ICEE CS(=O)(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(F)(F)F 1584469829 BYYUCTVEBIBUGM-ZYHUDNBSSA-N 439.437 0.159 30 10 ICEE CCN1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1615830239 DNIXLKWXGGAMEA-MEUCICPISA-N 443.508 0.367 30 10 ICEE CS(=O)(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1624061624 ASQICOWXLNHRFC-INIZCTEOSA-N 433.490 0.303 30 10 ICEE C#CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1645781192 FVUDRVBRPOJEFB-KBAYOESNSA-N 439.578 0.870 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689993703 JQQDGFIVCWZRCW-UULLZXFKSA-N 435.575 0.659 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(CC)S(C)(=O)=O 1690077798 WWSPSCNFPGPOFV-OAHLLOKOSA-N 431.584 0.311 30 10 ICEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697005615 BUBZHSKMOPOJEM-MRXNPFEDSA-N 446.519 0.777 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCCC2)C1 1698312996 CYVNYBXPRQUYOS-SJORKVTESA-N 436.538 0.840 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1705551438 NKMOBYCVUZOROO-IXDOHACOSA-N 425.555 0.742 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1705565249 HOVRGIXPIBXREI-AEFFLSMTSA-N 449.577 0.667 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1705612549 IXLIMVFLJRFBHC-ZWKOTPCHSA-N 438.598 0.802 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1722317021 PSFCSMYJFAHGKI-OAHLLOKOSA-N 428.580 0.997 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1722650493 CITOFQPPYVIWGO-KRWDZBQOSA-N 436.582 0.499 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722730289 NJJWRCWJVWWLPE-SJORKVTESA-N 436.582 0.674 30 10 ICEE C[C@H]1CSCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726753546 YPRNBFFUFQKEJS-HFUDNHEJSA-N 445.549 0.982 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740605582 UQCZGOVMZOCYGM-HNNXBMFYSA-N 426.506 0.815 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1740685272 DKUTWSBWXOHSSU-ZWKOTPCHSA-N 437.566 0.525 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1740685285 DQGKUEATONBOEO-JKSUJKDBSA-N 443.595 0.450 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCC3)C1 1740973479 YCMFROJAHJPPKV-ZIAGYGMSSA-N 436.542 0.256 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1748817634 NJDYYYSXWFHPIX-CABCVRRESA-N 446.620 0.560 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1749736433 IUNLQIWJVNYIOR-UHFFFAOYSA-N 430.534 0.676 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CCN1S(C)(=O)=O 1750350296 IDDFEDBDNHAYSW-HNNXBMFYSA-N 441.521 0.579 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@H](C)CC 1760116752 JTIKEZUKFSOVRM-OWCLPIDISA-N 440.570 0.374 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760183865 URVHYQBSQGRTTK-ZIAGYGMSSA-N 441.535 0.156 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)CC1 1760257424 WEBXPLQLTGBABL-NRFANRHFSA-N 428.541 0.734 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760727955 NWKFPLWKCSTFNE-UWZWCOGJSA-N 436.538 0.725 30 10 ICEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(C(N)=O)CC2)cc1=O 1870388068 GKJYIQYURJIOKW-UHFFFAOYSA-N 434.518 0.806 30 10 ICEE CN1CCN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1872636835 HSUSZFKEUAQHPV-UHFFFAOYSA-N 430.490 0.825 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256925198 ROUGSUVNCRPAHC-CQSZACIVSA-N 430.270 0.514 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC(CO)CO)c(Cl)c2)OC1(C)C 2282873317 JWWXDQHNFVAHPU-UHFFFAOYSA-N 426.127 0.924 30 10 ICEE CC1(C)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 464862157 HLJJZPOUUJWHDL-UHFFFAOYSA-N 447.517 0.964 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 482083904 QRDRUROUTVJXNL-OAHLLOKOSA-N 443.533 0.430 30 10 ICEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 493507682 YQWJBYRPLQUVES-SFHVURJKSA-N 444.532 0.294 30 10 ICEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 513042955 VZRAFQIJTKMNTI-SFHVURJKSA-N 441.513 0.770 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccccc2)c1=O 551924244 MBUJBOMQAZOFHQ-UHFFFAOYSA-N 449.536 0.362 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360664 LQIPWEMZCSCLOY-UHFFFAOYSA-N 447.520 0.384 30 10 ICEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 795492772 DAIIEPPRFNBPJE-LSDHHAIUSA-N 427.504 0.283 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1 856700589 UUZFHOGSBLQLQD-HXUWFJFHSA-N 432.502 0.753 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)c1cc[nH]n1 1144285347 MVPFBLCLXVALRO-UHFFFAOYSA-N 436.513 0.096 30 10 ICEE COc1cc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1S(C)(=O)=O 1251619786 WABGWTKFBGUEAI-IAISJRAMSA-N 441.531 0.739 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)c1C#N 1269303690 YCQLUHIEBWEGME-MRXNPFEDSA-N 444.536 0.829 30 10 ICEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435612 BCNCMIUPDQSOFC-SUNYJGFJSA-N 440.547 0.376 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300485326 YWUHUVZKCNEQDB-HLIPFELVSA-N 438.550 0.736 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300948833 CQQVDPDKVPHTQS-CVEARBPZSA-N 440.570 0.682 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1302484068 LZSKBNBBWORWFA-QGZVFWFLSA-N 443.533 0.613 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1316352647 IUPCOULMYCBJSN-UHFFFAOYSA-N 428.478 0.720 30 10 ICEE Cn1cc(O)c(=O)cc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1353703674 CZKNKNSMULXMBA-UHFFFAOYSA-N 430.486 0.680 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359299566 IHOXOHRZHRQLNG-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507512318 GJSDOAUMRMDBSY-LSDHHAIUSA-N 431.522 0.665 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCOC)CC1 1508059036 KRXFLPYXJSKMDK-INIZCTEOSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508096232 DDGQYDQUYQMCMS-WMZOPIPTSA-N 448.568 0.999 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1508123422 HXCDUDQSMBMOFK-ROUUACIJSA-N 439.582 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540904351 MKTNSXUOCLXGET-NVXWUHKLSA-N 430.534 0.580 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1541071270 PEZLRMGBZLLEMX-BQASMSSTSA-N 445.524 0.443 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1555808236 VDJPJEAXFYEKCV-HXUWFJFHSA-N 444.517 0.632 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 1568994856 FYRYZMFZORHAGC-IBGZPJMESA-N 435.502 0.747 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1587910003 ZRRMYUOFFOWEHJ-CYBMUJFWSA-N 431.522 0.901 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1595577478 TVTKZQCJZBHRMK-UHFFFAOYSA-N 433.476 0.951 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1610900769 BFDKOBNXXIEHHF-WAOWUJCRSA-N 434.541 0.768 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)s1 1629524387 SSYDZGIRSRORJK-GXTWGEPZSA-N 444.531 0.708 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1662402609 ODRHXEHGUQYPNM-SJORKVTESA-N 446.547 0.543 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)ccc1Br 1663927847 BNVMNYWWNRXCNK-LLVKDONJSA-N 437.341 0.657 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1 1666564631 YLOCWAJXHLZBQM-UHFFFAOYSA-N 426.568 0.746 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1697706928 WNWOJVUNCIKFLY-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1705573575 JRTIBZOQIPRAQX-CQSZACIVSA-N 432.481 0.739 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1705590737 VEOGBLRTPKBAJQ-JOCHJYFZSA-N 439.520 0.935 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705901506 NPTWUXGMRSTKEU-QGZVFWFLSA-N 443.552 0.760 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705908607 FERNBIRTUOXSSB-QGZVFWFLSA-N 425.493 0.789 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705928341 PBWXAMBUTVLRGF-IRXDYDNUSA-N 437.566 0.978 30 10 ICEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722535751 MOLFJUOYIILTAA-UHFFFAOYSA-N 444.540 0.290 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722630355 YOCJGQSIOJQKCC-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1722698685 KLQRHEGHGMJEBT-AWEZNQCLSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722699261 TVZFQDIKDAMACC-ROUUACIJSA-N 429.525 0.885 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1722703889 KNHXLDUCQASQAV-OAQYLSRUSA-N 434.541 0.585 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722725093 FDNBMCHCGFIXJF-UHFFFAOYSA-N 441.517 0.597 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740558963 YPLOTEPAEPRRRP-QRWLVFNGSA-N 434.518 0.873 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740955639 AUOVAWVPUBGUSJ-UHFFFAOYSA-N 446.519 0.883 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748817703 OQZZTJASZWBSLG-ZBFHGGJFSA-N 438.941 0.959 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(C)=O)CC1 1749735816 ANKVAXKKOWPUAV-UHFFFAOYSA-N 432.550 0.923 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1760184570 KGJDPKQBZCFPRY-HNNXBMFYSA-N 426.506 0.452 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760519136 SQBLYUDFUAZADC-UHFFFAOYSA-N 441.536 0.893 30 10 ICEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1764650666 AVVZVRRHKYRIEM-YPMHNXCESA-N 425.540 0.684 30 10 ICEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CCOC)CCOC)cc1=O 1870562378 CXDJFBAIYOVZIS-UHFFFAOYSA-N 437.518 0.651 30 10 ICEE N#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1892005274 UFLYBEKTQCKELV-UHFFFAOYSA-N 428.470 0.948 30 10 ICEE CC1(C)OB(c2ccc(N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)nc2)OC1(C)C 2232256125 YPEWEHGCTLYLKZ-AAEUAGOBSA-N 442.247 0.740 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247950375 ATLZRBLQAUPILJ-STQMWFEESA-N 442.347 0.663 30 10 ICEE N#Cc1c2n(c(=O)n(CC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)c1=O)CCC2 8935718 PYTMZRACYXNZHQ-HNNXBMFYSA-N 428.470 0.048 30 10 ICEE CCOC(=O)[C@@]12OC[C@@]34[C@H](C[C@@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@@H]3[C@H](O)[C@@H]1O)OC(=O)C[C@H]24 257397327 CMVMKMSNNMBUMZ-URSIHPCWSA-N 436.457 0.419 30 10 ICEE N#C[C@H]1COCCN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464797833 HBQCMBJTTGKWPR-ZDUSSCGKSA-N 430.280 0.553 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 610244853 AJYMQPLSMSZKIY-CYBMUJFWSA-N 433.917 1.000 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(F)c1 729672496 QOIZUCFAXJCFBO-UHFFFAOYSA-N 449.467 0.943 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 813563771 NIVJNJYEGRPHOU-XJKSGUPXSA-N 435.550 0.829 30 10 ICEE CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1134276059 QZNTZBFOBKXRFE-NHYWBVRUSA-N 447.332 0.863 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1152127896 CAHQYFVITIRLOE-OAHLLOKOSA-N 443.909 0.788 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 1165508518 QSUAVNYUHNHXKU-UHFFFAOYSA-N 438.502 0.945 30 10 ICEE COC[C@]1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)OCCc2ccccc21 1251591402 NVDDNDAAJJEECJ-NRFANRHFSA-N 425.445 0.501 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286397996 FRYRFRUSGRTXOX-MRXNPFEDSA-N 438.454 0.850 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1286472871 LZWOMIFTCBUMOJ-NZQKXSOJSA-N 446.596 0.795 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1300556124 CCVKKTBZGLSVIT-LPHOPBHVSA-N 438.623 0.789 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300707676 HOHLKJCSPGTFRB-KKSFZXQISA-N 444.561 0.565 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301568769 JTGYYOKKGAQNKH-QLFBSQMISA-N 449.599 0.493 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359301498 AFXIVHWOKDUENM-ROUUACIJSA-N 431.585 0.769 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC[C@@H]1NC(=O)NC1=O 1507676206 LVLXSEAAOXSLRI-ULQDDVLXSA-N 428.493 0.453 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507756238 YPRLBKVTSFLPBE-QGZVFWFLSA-N 445.593 0.340 30 10 ICEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCNS(C)(=O)=O 1508051385 NQULFBPZLBGUFJ-UHFFFAOYSA-N 441.583 0.718 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508071353 DBWBRODCACHZLV-MRXNPFEDSA-N 425.449 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508140779 QQGLAJZJAFKKFW-IRXDYDNUSA-N 436.538 0.664 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 1517401297 ILNQNGVXKQIDIX-OXQOHEQNSA-N 428.518 0.918 30 10 ICEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)c1ccc(Cl)cc1 1537006198 SBJHERLLBBCEMX-BLLLJJGKSA-N 431.923 0.357 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1539420115 BOJVAHJDFBPEJO-HXUWFJFHSA-N 430.534 0.834 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1540954733 HVOFCGGZOBBBNB-DHSIGJKJSA-N 441.533 0.589 30 10 ICEE C=CCNC(=O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1546179197 BZKZACWQJOMLJX-QGZVFWFLSA-N 437.562 0.936 30 10 ICEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1555528448 DILPTLPGZQYOOC-QGZVFWFLSA-N 441.536 0.974 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1588638057 NVAWXFJWWNQHND-WMZOPIPTSA-N 427.509 0.716 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1595799053 WGOQITQCAIQGDM-KRWDZBQOSA-N 449.581 0.833 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1619964419 QSSCUABDRJSJQP-QGZVFWFLSA-N 441.536 0.736 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)CC1 1678188967 DGIPYPHJPJGEKX-HNNXBMFYSA-N 436.534 0.704 30 10 ICEE O=C(NCC#CCO)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1683602620 OKCXGTFKKDAGMA-AWEZNQCLSA-N 430.324 0.897 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1689831959 USENDGYHULNRSV-KXBFYZLASA-N 426.539 0.328 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689841537 ISRGYQMYHRVKSB-VLIAUNLRSA-N 434.518 0.970 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690264984 HZYSUBQQINMUAW-YOEHRIQHSA-N 432.568 0.132 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705901214 DZMDKNXIJSZWEU-LBPRGKRZSA-N 428.415 0.879 30 10 ICEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705945917 VHCCDIBRONXBTE-UHFFFAOYSA-N 448.593 0.972 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722368634 SJBRQVTXTKIAMA-HZPDHXFCSA-N 435.550 0.815 30 10 ICEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731128548 GTQWXCUQZJRTLN-UKRRQHHQSA-N 427.600 0.818 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740615937 OFLPLHIVZXBVTM-GQIGUUNPSA-N 437.566 0.594 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740847774 SVRCBYCBFKCPMA-MRXNPFEDSA-N 443.552 0.759 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740995408 KWGUDIPPHAYOOV-ZOBUZTSGSA-N 441.554 0.270 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1748962595 LXECJYNIGSLZAF-MBOZVWFJSA-N 438.550 0.604 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749038933 MZGFMRUAHKVFNE-KGLIPLIRSA-N 425.536 0.187 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1760182545 KLMIWCZPQJGEDB-WBVHZDCISA-N 435.554 0.592 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760519939 VJJAEVFBZYYTHM-MRXNPFEDSA-N 435.492 0.779 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760555697 KVGIXCGBDRIUQQ-UHFFFAOYSA-N 433.538 0.733 30 10 ICEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1768495357 CTDKDNPJSVXILZ-SFHVURJKSA-N 438.485 0.953 30 10 ICEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771025675 DNGGGGKFQSZNLK-KRWDZBQOSA-N 441.540 0.896 30 10 ICEE COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771266276 XHNPLZFMHWCBFY-GOSISDBHSA-N 431.541 0.744 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)CC2)CC1 1890566381 OQOBWORROKQFIE-SFHVURJKSA-N 445.589 0.224 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267271287 QYEYXIKQQJBWPL-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286018753 VMURJRIBJDILJL-MSOLQXFVSA-N 438.502 0.898 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 108420627 UUXJWMGZGGFCHH-CYBMUJFWSA-N 438.449 0.790 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)O[C@H](CO)[C@H](O)[C@H]1O 254289349 HKKSSKGBBKKMNU-WKIUQGCKSA-N 427.453 0.905 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 480433656 CPFACUHJBRBTBR-WBVHZDCISA-N 434.518 0.322 30 10 ICEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 506210194 YXCKOKIKVLCEND-NRFANRHFSA-N 430.509 0.893 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncnn1CC(F)F 508825647 KTGBREUMNPCPAH-LBPRGKRZSA-N 446.484 0.290 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CCCSC 609311540 FDQSBODWOPJARJ-UHFFFAOYSA-N 448.526 0.829 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C1CCN(C)CC1 727417557 HKFSEGFAZREPFD-UHFFFAOYSA-N 430.530 0.425 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cn1 749856981 RIWGQQQDXPMACA-AWEZNQCLSA-N 427.530 0.334 30 10 ICEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3nncs3)n2N)cc1 1084313457 WYGBTYAWSCVACB-UHFFFAOYSA-N 433.479 0.807 30 10 ICEE C=CCN(C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@@H]1CCS(=O)(=O)C1 1125953886 LHMJNWFZQKHAMB-HUUCEWRRSA-N 429.539 0.656 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 1175515397 ZZEZGHYCSWRKNZ-UHFFFAOYSA-N 443.407 0.981 30 10 ICEE C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(S(C)(=O)=O)cc1 1254400127 RGLFBPZCLOLRPI-QIIPPGSGSA-N 425.532 0.773 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286395657 SKZYENHWGSNRDT-SFHVURJKSA-N 449.577 0.811 30 10 ICEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286625538 MJEBEFMSQWJSMQ-UHFFFAOYSA-N 433.900 0.533 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286782524 XNFBBAQSAZGTNB-HNNXBMFYSA-N 448.549 0.726 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1286793875 OLLAFEOUGNOWTO-SFHVURJKSA-N 446.474 0.917 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1288524876 IWVYBISHGWFRBU-OLZOCXBDSA-N 436.485 0.979 30 10 ICEE CN1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1298892061 FJTVVWWBSUXKNC-VHEBQXMUSA-N 441.517 0.735 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1300409882 KTIHTYPHHFAVLK-BZSNNMDCSA-N 437.566 0.887 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1300630583 FEYBTBBVHCIBIF-LPHOPBHVSA-N 425.555 0.886 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(C)C)cc1 1304002428 QVLNKEYWAGVGAK-IEZWGBDMSA-N 439.559 0.695 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1358949285 XTZGIINTIZSDSV-GOSISDBHSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358955498 MYRMBKBLKQAIQD-DOTOQJQBSA-N 436.582 0.526 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358955499 MYRMBKBLKQAIQD-NVXWUHKLSA-N 436.582 0.526 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507630898 JLVLEHIFRLBZDI-WMZOPIPTSA-N 431.566 0.647 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C1 1508121074 CQZKIERTVXLMBE-CABCVRRESA-N 426.543 0.338 30 10 ICEE CCN(C)C(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515311974 FXRSSOPOSBXEGM-AVRDEDQJSA-N 445.568 0.974 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1539453175 FZBPTNWYNVBQKY-UHFFFAOYSA-N 432.550 0.182 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCN(C)C2)CC1 1539475610 JTTACIIVMXZFBR-JOCHJYFZSA-N 425.537 0.316 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588034706 KSMNKNBPGGYBME-XLIONFOSSA-N 448.549 0.523 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588053112 BATZKNHSZKGYHM-IAGOWNOFSA-N 435.550 0.673 30 10 ICEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588245745 PLXJTLKEUHUDDX-QFIPXVFZSA-N 442.541 0.912 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)CC1 1588743201 YNKSBJBMCITSHZ-OAHLLOKOSA-N 433.538 0.095 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1621953207 CNCVLRVZAPVYLD-UHFFFAOYSA-N 428.536 0.970 30 10 ICEE C[C@@H](CC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636956099 AWJCHEZGKGAICC-ZDUSSCGKSA-N 444.517 0.648 30 10 ICEE CN1C(=O)C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1ccc(F)c(F)c1 1684184663 BQZJUSBVEBMOAR-FRXJQCMVSA-N 438.456 0.816 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1689936862 GWTDDQXEQNDGGU-SFHVURJKSA-N 429.569 0.851 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689982173 JADFTGGCCOPZRO-OXQOHEQNSA-N 438.550 0.470 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689987810 CPXPFRALLXWELQ-ZACQAIPSSA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689990761 RLOJXFNZQKQNQW-HZPDHXFCSA-N 434.522 0.733 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1690104148 NVXADZWORUOGLE-LBPRGKRZSA-N 425.433 0.259 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1690672413 QZJDEQCDZMYRNC-UHFFFAOYSA-N 438.540 0.852 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705540099 NAVKYDNKQJAVGX-BBWFWOEESA-N 430.509 0.888 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705567126 UNGMJFGTNFZAMY-QZTJIDSGSA-N 442.545 0.802 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1705754781 FXFYCRXNSMKDSD-ZDUSSCGKSA-N 432.934 0.065 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1722672251 MXUDFHWCXLZTGX-KRWDZBQOSA-N 435.554 0.995 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722683037 ZYDCVVBEJJADEO-ZIAGYGMSSA-N 432.572 0.079 30 10 ICEE CCc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727574497 KHMUMJQJLLEUCW-DPHDRGAJSA-N 427.509 0.862 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cc[nH]n2)CC1 1740704237 KLULLMYLMSNFRE-UHFFFAOYSA-N 447.503 0.459 30 10 ICEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741713955 NINMGAVPSZUOHC-DLBZAZTESA-N 437.570 0.634 30 10 ICEE Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742797612 IWPAUTVQWCXHAW-ISLYRVAYSA-N 428.497 0.497 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C2COC2)nn1 1748684417 IVQGDPJUSQFBBH-CYBMUJFWSA-N 426.506 0.939 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1749670455 UAPQTIHTKHAVOV-XHSDSOJGSA-N 440.570 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1749721824 URUZMWAEFKORDB-AWEZNQCLSA-N 440.570 0.464 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N(C)C 1760211168 CPWYAWNRXKPUGL-FQEVSTJZSA-N 437.566 0.673 30 10 ICEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(CCO)CC1 1870499440 NKEIVAIVQOHECD-UHFFFAOYSA-N 427.505 0.557 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCOCC2)nc1C 1872678779 LJVXQNVJVDMLCQ-UHFFFAOYSA-N 437.434 0.667 30 10 ICEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255753183 QGWJLOJHZWOGIZ-UHFFFAOYSA-N 449.260 0.680 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267537465 QEVBZGSJQKBUGU-UHFFFAOYSA-N 448.329 0.735 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267614658 RCXHDPQNGLHQQN-UKRRQHHQSA-N 448.329 0.733 30 10 ICEE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCC(=O)ON1C(=O)CCC1=O 165196787 OUSUWQYKZFQMST-BWACUDIHSA-N 426.495 0.216 30 10 ICEE C[C@@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 425912872 DPBPEZPWYIVPJK-UTKZUKDTSA-N 434.562 0.874 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)nc1 518399228 UEOPROPGAFHVPE-RBUKOAKNSA-N 442.497 0.973 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cccnn2)C1=O 766416268 OKPIDOPBSDTJMQ-GOTYSUTNSA-N 441.561 0.982 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767880233 GQSQPSJYPYHUGL-UHFFFAOYSA-N 442.497 0.856 30 10 ICEE C#CCN(C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 774154208 GJSJSXQQHTXURS-AWEZNQCLSA-N 425.463 0.986 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 917798849 FYRCZJMMWUZLEF-UHFFFAOYSA-N 448.508 0.160 30 10 ICEE C=CCO[C@@H]1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 1116551521 OXAHQRMFJNBJMY-MRXNPFEDSA-N 440.522 0.987 30 10 ICEE C[C@H]1CN(C(=O)c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@H](C)O1 1136386447 FOIQZWCFTGYRCX-GJZGRUSLSA-N 439.472 0.776 30 10 ICEE CN1CCC(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(N2CCOCC2)CC1 1142215008 KYWIMWJLSCRBED-UHFFFAOYSA-N 438.525 0.649 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C2CC2)CC1 1286485609 RGVRYJXXYOGPNH-SFHVURJKSA-N 428.537 0.905 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286508406 MCUHZQWPEBMHBZ-KRWDZBQOSA-N 446.577 0.595 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](COC)OC)CC1 1286645464 CWGJLTGFTXNIGV-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286785657 IDKBOBXSIJGTGG-RDJZCZTQSA-N 432.525 0.553 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCS(=O)(=O)CC1 1300527932 MOOTZBZCGKCLHD-UHFFFAOYSA-N 445.501 0.018 30 10 ICEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301033420 IFAAHCORNMJQNU-OAHLLOKOSA-N 443.895 0.896 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301510488 YJMIHPCVPFEYQR-NRFANRHFSA-N 442.524 0.188 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301569180 RZNLUTNBPZNRQN-CABCVRRESA-N 438.554 0.865 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)n1 1304762015 BLOKOJXTFNHULR-IBGZPJMESA-N 441.584 0.895 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@H]1CCOC1 1314701507 OKNAYBBSDUTTEQ-KRWDZBQOSA-N 446.533 0.989 30 10 ICEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1315263342 PZGFPCGJCQACLC-INIZCTEOSA-N 439.476 0.942 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1315608304 FVVHILCDYWTVRN-OAHLLOKOSA-N 435.506 0.744 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCOCC1 1358973948 LLDFMBQJPNAYHC-UHFFFAOYSA-N 445.487 0.276 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359035063 JYCJHYMOOHCJTN-QZTJIDSGSA-N 436.582 0.699 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[S@](=O)CC)CC1 1359046521 VAXZBIALLHMHLH-SSEXGKCCSA-N 428.562 0.998 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)C1 1460652549 KAWIXFQCNBSQNH-SIKLNZKXSA-N 443.479 0.928 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 1471451671 WRGSRWQLKXTLEU-UHFFFAOYSA-N 448.545 0.647 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)CC1 1473728761 HLNYDEHYXSBDSG-OALUTQOASA-N 429.565 0.945 30 10 ICEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1503970889 GZQKYLLTNBULHL-QZTJIDSGSA-N 437.504 0.635 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539179688 RAVKVBYHZWCYLW-HNNXBMFYSA-N 448.549 0.504 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1539452625 WFKIBVJISKTSNC-FQEVSTJZSA-N 427.505 0.945 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1554472699 QYBIYRYFKLNARQ-ZZEZOPTASA-N 438.492 0.747 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1554531491 GPVDQLZZGHGCIQ-INIZCTEOSA-N 432.506 0.755 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)C1=O 1584795737 JQDHVXDZTAWRIZ-UHFFFAOYSA-N 426.470 0.305 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1588024757 KXHCWKGUAABTNV-LSDHHAIUSA-N 425.580 0.796 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588054663 PIXTXRMXODDDCO-BZSNNMDCSA-N 448.593 0.730 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1588075185 ZZTKRDWHBDCUFE-QGZVFWFLSA-N 437.566 0.844 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCn2ccnc2C)CC1 1588962174 XOWXOXZGEXKQCL-UHFFFAOYSA-N 438.536 0.571 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613341033 BLBIHAAIONKYDF-AYGAQVIVSA-N 429.481 0.959 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1614974561 GMFGKEHUTUWOBZ-KRWDZBQOSA-N 445.549 0.861 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1616346860 LQBLMFSPBNQGCT-CZIZESTLSA-N 448.501 0.272 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1629651670 CIBGVLMJEZZDJZ-QFIPXVFZSA-N 426.521 0.882 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 1641478537 LSBIOSVVFRSZGD-HNNXBMFYSA-N 427.490 0.597 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4cc(=O)n(C)c(O)n4)C3)n[nH]2)c1C 1645578208 PFIFOELUUOYWQL-AWEZNQCLSA-N 438.492 0.884 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 1650846112 KGCRZEBAZVEZTE-UHFFFAOYSA-N 445.295 0.512 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC1 1660464328 UVVRPGKUEYFCHX-UHFFFAOYSA-N 432.546 0.752 30 10 ICEE C=CCOC[C@@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OC 1668852097 CMSTWUSHGNFABE-MRVPVSSYSA-N 429.236 0.047 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1677236893 OZMFBCRQJMKNGG-GOSISDBHSA-N 449.577 0.202 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988750 VUQWTFIGWDBYLZ-MRXNPFEDSA-N 433.538 0.078 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCOCCS(C)(=O)=O)CC1 1690137260 RSYIASXRTLQCST-UHFFFAOYSA-N 439.582 0.603 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690745109 XWPZUMFZKROCMS-UONOGXRCSA-N 436.625 0.969 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1693920227 ZCIZFBNOZOWSFJ-HLAUDOPJSA-N 445.549 0.869 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1696593358 WRMJPZQBUWSIHH-INIZCTEOSA-N 427.509 0.895 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1698313728 NOGPNRKGSXUUMA-KLHDSHLOSA-N 442.517 0.478 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705515768 LVQGMIKHBNDAAN-GOSISDBHSA-N 443.552 0.014 30 10 ICEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)NC 1705546106 AHHXXRNZZPAIMM-UHFFFAOYSA-N 439.567 0.165 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705628572 KTAATIUOHCBKFB-GJZGRUSLSA-N 431.584 0.449 30 10 ICEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705800523 ZXHHLDMAUUCYPP-UHFFFAOYSA-N 447.584 0.753 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1722698742 LGZKFGVYOAFTMY-SFHVURJKSA-N 426.477 0.761 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729671473 LNGQXLAEMXNEMQ-HAVZMVERSA-N 443.508 0.618 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740991265 RTSXPDVTSZMPSJ-AWEZNQCLSA-N 431.584 0.522 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749020047 JRLGMTZUOFHUSL-UHFFFAOYSA-N 447.609 0.527 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1750059526 ARJGAGUJJYXHKG-NCOADZHNSA-N 441.602 0.983 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1760219501 GLAQGTBIADMJGN-OAHLLOKOSA-N 449.562 0.282 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NCC)CC1 1760264765 DVYSWNRVAZVYCL-UHFFFAOYSA-N 445.568 0.544 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2=O)CC1=O 1853830455 FSRFYVOGYIPOFJ-ZDUSSCGKSA-N 439.465 0.228 30 10 ICEE CCn1cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255806930 MFSFOJBEBHIHGU-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834167 QCSXCAFUMCFZJN-VIFPVBQESA-N 425.721 0.513 30 10 ICEE CC1(C)O[C@H](C=O)[C@H]([C@H](O)[C@H](O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)O1 255968600 DCBBUGKPMCTVKE-RQJXEURNSA-N 432.466 0.214 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 430385730 OMMHTMCONTVHPZ-VQIMIIECSA-N 433.530 0.687 30 10 ICEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n1 460664137 WMMJOEUIYMQECO-UHFFFAOYSA-N 431.460 0.833 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 670207168 RQOYMHCFWZPPSV-ULQDDVLXSA-N 441.554 0.571 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 732152587 DJWQBKNOLAUXJL-RWNPKEDZSA-N 446.529 0.871 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749598436 AJMFDHZYFCVLJD-UHFFFAOYSA-N 448.526 0.613 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2nnnn2C)C1=O 771539165 BUOOTCGYNWHDPG-HNNXBMFYSA-N 448.528 0.591 30 10 ICEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 780203245 BAPMPUJVYJTGKP-HXUWFJFHSA-N 443.481 0.668 30 10 ICEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1137335964 KMBLCFDJNKOJBO-HNNXBMFYSA-N 436.509 0.892 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCN(C)C2)CC1 1286491493 UJLKUTYSFLHRNH-HSZRJFAPSA-N 437.548 0.296 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286496544 TXOLHJXCDDSNTK-CQSZACIVSA-N 426.506 0.506 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1286783797 LXBBQTQZQREPJI-CQSZACIVSA-N 426.477 0.685 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286790997 RHUIFTSJOJUKAY-KRWDZBQOSA-N 446.577 0.836 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1 1300769417 GRLVJMVNOLZTHI-UHFFFAOYSA-N 431.566 0.801 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1301390635 LXNWTTPJJKPNKF-HNNXBMFYSA-N 429.568 0.394 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1306392589 OQYSBJIDXQGDOR-DXNFXHBHSA-N 445.524 0.946 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)c2ccc(Br)cc2)c(=O)n1CCO 1307388288 BFGCZMWQHWQQLM-LLVKDONJSA-N 435.278 0.822 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1315818555 RLCPKPAXBUIECZ-LSDHHAIUSA-N 444.533 0.726 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1358882092 STJKTNIKAZRIFJ-JLTOFOAXSA-N 432.502 0.724 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358960446 FAZUWWUPYMEEBI-KRWDZBQOSA-N 429.550 0.846 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359044038 SGRLMYAUPMFOMT-HKUYNNGSSA-N 439.520 0.752 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359044265 ASDLQPRZUSCFPC-KRWDZBQOSA-N 441.536 0.890 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1359127119 IYQACJWILDFUBN-OAHLLOKOSA-N 444.558 0.760 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1359297912 GRPUTAUDJGFKCU-UHFFFAOYSA-N 425.472 0.842 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)C[C@@H](C)O1 1540761019 UDLNFZLRQSXHMX-QVOOOWOGSA-N 439.509 0.906 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1555810251 BGOURDKGKQNUBH-GOSISDBHSA-N 446.533 0.704 30 10 ICEE CNC(=O)NC[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1558055929 IAZMFFYGJCKGJW-AQZMIJIOSA-N 435.525 0.930 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N1CCSCC1 1594963634 VXXCSDBSJFHXHD-CQSZACIVSA-N 449.624 0.181 30 10 ICEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 1629536728 AIOAGISMEWVIKW-UHFFFAOYSA-N 437.562 0.751 30 10 ICEE C#C[C@@](C)(CC)NCC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1654508311 HAKHMTLWIDOTMW-QFIPXVFZSA-N 427.505 0.950 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1670882158 FAQGQMWWTDFQAO-HNNXBMFYSA-N 443.566 0.951 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](COC)c2ccc(Cl)cc2)CC1 1682638563 RWTAYOYUIIRXHM-MRXNPFEDSA-N 428.942 0.865 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689986386 OLUMAZFAKSTOMT-RDJZCZTQSA-N 449.558 0.402 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC)C1 1690699326 CQZBCUFQDYPMEB-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1690734171 XPSFOFIIXDAVOX-RHSMWYFYSA-N 431.584 0.803 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)NC 1694125922 FQICNNWIRHTJMZ-CABCVRRESA-N 447.569 0.718 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC(C)C 1705553415 XVGJRBCTVVORJN-UHFFFAOYSA-N 446.581 0.849 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1705571004 UCPMHSFRLDKNOC-MOPGFXCFSA-N 437.610 0.950 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1705585861 MNRSLQWDDNBMGY-UHFFFAOYSA-N 428.456 0.955 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNS(C)(=O)=O 1705596131 TYKIAWUXSFQALL-UHFFFAOYSA-N 432.506 0.408 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1711273709 FQJWDIURAKQRIQ-WOJBJXKFSA-N 448.524 0.857 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712174373 ZJSCXXNDNKXVPX-RRFJBIMHSA-N 443.487 0.590 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cccnc2)C1 1712705887 FBXMWELGBLRDOI-SFHVURJKSA-N 445.549 0.989 30 10 ICEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722321370 ASGSLXJNPKWOOR-QGZVFWFLSA-N 440.479 0.947 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1722727750 LAJLLJKEJXBGKD-KBPBESRZSA-N 434.609 0.723 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)CC1 1740706017 OXJANIKLDCYRFW-MRXNPFEDSA-N 443.552 0.500 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740889092 YYJRNBAASBGGTH-OAGGEKHMSA-N 439.538 0.708 30 10 ICEE CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744674600 JJOHJNVDZNQABI-YWMAMYRUSA-N 436.538 0.770 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)COC)CC1 1749354070 ICHUJPLVPRAHHT-HNNXBMFYSA-N 442.586 0.786 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749650918 JJROSUVOLMUVFW-OAHLLOKOSA-N 440.508 0.723 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760186599 DXJZIWKNMCGUSI-KBPBESRZSA-N 434.547 0.669 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C(C)C)C(C)C)CC1 1760253558 FXOVNANUFXLKKO-SFHVURJKSA-N 439.630 0.762 30 10 ICEE CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764898781 HOTWJGXEEKEFJU-VRTBNJGNSA-N 443.508 0.195 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1768243205 HJAPFSVQVXBUPT-HXUWFJFHSA-N 428.518 0.968 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C[C@H]3C(=O)NCc3ccncc3)CC2)nc1 1851146807 SQIJTJJPXRADHI-WOJBJXKFSA-N 434.500 0.966 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)CC1=O 1854503810 OKSYZYNMMRRHPU-SJORKVTESA-N 437.562 0.439 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881600 IYKJNQRHWVXJLR-UONOGXRCSA-N 448.329 0.876 30 10 ICEE CC(C)N(C[C@H]1CCN(C(=O)[C@@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687518 RDTSHUQSOUZTAU-RDJZCZTQSA-N 434.346 0.192 30 10 ICEE CS(=O)(=O)c1cccnc1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426366680 SGHVQDMFBLJRMJ-INIZCTEOSA-N 427.486 0.957 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 514492247 VXQONASDLNNSMU-DOTOQJQBSA-N 427.526 0.743 30 10 ICEE N#Cc1ccccc1S(=O)(=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1 585282301 BFWUACZLLZHFIL-UHFFFAOYSA-N 429.506 0.659 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 603923116 OEMFBHXPWBUOIF-CQSZACIVSA-N 435.452 0.939 30 10 ICEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(C)n1 781654983 XBPGUBYNIJKXGE-UHFFFAOYSA-N 425.514 0.289 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)n1 788955720 LXHPPJPTWZSSCQ-QFIPXVFZSA-N 438.488 0.929 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNS(=O)(=O)c1ccc(Br)cc1 814695425 AZNRQHGUDWALLV-UHFFFAOYSA-N 436.313 0.613 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C[C@@H]3CCCO3)c2=O)cn1 837847541 QSRGQBUXCQWRBP-INIZCTEOSA-N 439.497 0.235 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@H]3O[C@]32CO)[C@H]1C 1078018406 LYJKREGDQDJIDC-FAJZAOJHSA-N 433.457 0.485 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1139175484 GJFKHBMDVODNQY-APWZRJJASA-N 426.491 0.302 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)n1 1156618775 TUCLOLIQUFAWIP-PZJWPPBQSA-N 442.491 0.835 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)cc1 1171815608 XUQOMENXEXBEDG-UHFFFAOYSA-N 427.490 0.799 30 10 ICEE C#CC[C@@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1227726039 DHBSLEQWZZPPSV-INIZCTEOSA-N 439.534 0.788 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1286390091 WSGNLRGOYANDEE-MRXNPFEDSA-N 444.521 0.074 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286421162 BYNXMDMCHUOBOQ-GHTZIAJQSA-N 449.577 0.675 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCN2CCSCC2)cc1 1302993959 HTGIGILLEADPFD-UHFFFAOYSA-N 427.534 0.714 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1303867375 PKUBSIGIVXFNDE-WMLDXEAASA-N 446.533 0.990 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359225855 NBRRLANDSIDCPK-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359332757 GTCFJNQVYUHYPC-DLBZAZTESA-N 425.555 0.735 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 1455114253 BWAMIPSTRWBXMU-UHFFFAOYSA-N 429.458 0.882 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1460563315 GVDGYGZDQPHNBU-MRXNPFEDSA-N 433.452 0.423 30 10 ICEE Cn1ccc(=O)n(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1=O 1467728518 JRLQWCSAHKAEAH-CQSZACIVSA-N 429.864 0.631 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC(F)(F)F)n2)CC1 1470068141 AINVKUDKIFNRBJ-UHFFFAOYSA-N 435.428 0.318 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1493191893 IJMMPOWEGLKACT-MRXNPFEDSA-N 428.493 0.795 30 10 ICEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1499943072 NBUKQGZTLGLMAK-VGSWGCGISA-N 437.504 0.515 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507632495 MDFQKIJYWDOJES-KURKYZTESA-N 437.566 0.129 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c1 1558752154 XNNBJUQNDIDGKB-INIZCTEOSA-N 432.506 0.164 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1587990266 UTISBXSNQGVUOG-KGLIPLIRSA-N 431.609 0.529 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064215 CYHLTKPHNVCPCL-GOSISDBHSA-N 449.577 0.496 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)CC1 1627015195 LITDJVQLHYCWNJ-UHFFFAOYSA-N 436.516 0.357 30 10 ICEE C#CC1(O)CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1633560023 UEJQWBUZXOAHDA-UHFFFAOYSA-N 437.493 0.279 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)OC)CC1 1690139940 FZQUAANORJXHRU-INIZCTEOSA-N 449.519 0.922 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690644371 HLAPPFGFSLQSTI-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1690661338 ZOYVHXKIOKOQOV-GOEBONIOSA-N 440.570 0.443 30 10 ICEE C[C@@H]([C@@H](C)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)S(C)(=O)=O 1691018804 LKESYMLWLKXKRD-BFESSNOMSA-N 436.538 0.940 30 10 ICEE CC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1705996251 RLBNJSGNQKCGGY-BVGIJJTOSA-N 427.509 0.814 30 10 ICEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1712617323 AMYUUDMWOIJJTN-AWEZNQCLSA-N 425.449 0.986 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1712711466 NOOBICSKRXLFQA-KRWDZBQOSA-N 441.521 0.799 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722359077 POFBFBNBVYNWSY-MRXNPFEDSA-N 434.497 0.625 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360286 SMLSDNGRNPHYTR-INIZCTEOSA-N 431.518 0.999 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)cc2)CC1 1722430337 AYZJIWDXWMZXMA-QGZVFWFLSA-N 446.577 0.895 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1722554333 DGOWAYCSWIILLP-UONOGXRCSA-N 447.945 0.753 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1726637011 FCHOKZDZAVOYRN-XOBRGWDASA-N 444.517 0.033 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740617427 QYXSZGFEUMXQOJ-YLJYHZDGSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740617638 UTDZUBGKQQJRQB-HZPDHXFCSA-N 449.499 0.866 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740888488 TWWDXNPRLYKTRM-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1748859306 RYIFGTNTKJZMPB-SJORKVTESA-N 437.591 0.970 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749026260 JHHATEQHTZJXOK-FQEVSTJZSA-N 437.533 0.989 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1749119993 ZFTLXNDNLSZADK-KBXIAJHMSA-N 426.543 0.181 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749668919 GKUBLSLTBSIBEN-HUUCEWRRSA-N 425.555 0.734 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749677106 NEQWYLVHLQGZQU-INIZCTEOSA-N 426.477 0.843 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749682955 DTKAEXPABMUUPJ-BFYDXBDKSA-N 434.541 0.450 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1750385282 HZEXOXHWVHMHOT-HNNXBMFYSA-N 432.506 0.830 30 10 ICEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CCO1 1750388371 OGCWEIOEGLDORT-GJZGRUSLSA-N 432.506 0.804 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC=C)CC1 1760273134 JKXQVYDTPKESLT-HKUYNNGSSA-N 444.536 0.270 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760307347 PTVWEWYVJAYBGD-LRDDRELGSA-N 444.355 0.948 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1OC 1760464324 FMXYAVGRJZVBHA-HRCADAONSA-N 429.543 0.285 30 10 ICEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 1760488683 BWPFPSHQQCFUKH-AWEZNQCLSA-N 447.583 0.006 30 10 ICEE C[C@@H]1CN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1854242367 PLPOQKOGHKZTRW-APWZRJJASA-N 432.546 0.832 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255847097 NPINEVWGNMBVLH-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881599 IYKJNQRHWVXJLR-KGLIPLIRSA-N 448.329 0.876 30 10 ICEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 448376163 PYQCGZHNECSMFC-CQSZACIVSA-N 429.520 0.173 30 10 ICEE Cc1ncc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1C#N 489467043 SOTUJUIIWVXLTI-UHFFFAOYSA-N 449.558 0.676 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 508496103 CFUCWSXDTDVIAF-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c(C(F)(F)F)c1 548581791 OUGIDKOSSYDZHW-JTQLQIEISA-N 426.394 0.839 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1cc[nH]n1 799088516 ZHUGDYBHDXJPPC-PBHICJAKSA-N 427.461 0.999 30 10 ICEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 913053413 PKZCCKIDPTYUTM-LJQANCHMSA-N 449.577 0.825 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(Br)sc2Cl)CC1 1175514979 MKNGSAJUUFLIJJ-UHFFFAOYSA-N 427.733 0.784 30 10 ICEE N#C[C@]12CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1179651129 JGNRMHFRQIXPOS-MAUKXSAKSA-N 438.527 0.406 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286398533 YECORHTVDXQKBF-SFHVURJKSA-N 442.549 0.732 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSC)CC1 1286493820 QFGROCUOQJNFRG-INIZCTEOSA-N 439.607 0.899 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286503398 AKVLHDYHFHOZRG-LSDHHAIUSA-N 425.580 0.999 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1286787597 HGQDJEFUKONNNX-DNVCBOLYSA-N 440.570 0.540 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CCC)OC 1300578599 NDRWHBSHVKQHEA-QZTJIDSGSA-N 437.566 0.889 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1300697489 CZZLEGDQUPOZGE-UHFFFAOYSA-N 441.517 0.394 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301510549 YRUOMZDEYLXMSU-QZTJIDSGSA-N 429.525 0.826 30 10 ICEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302493924 CWUSGNYYGQDESU-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1358984320 QDBMQXFFHVLPLM-UHFFFAOYSA-N 449.577 0.599 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1360796744 CMCGXBGSFJQSCQ-QFIPXVFZSA-N 437.504 0.957 30 10 ICEE C=CCOC[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OC 1448493414 HXNPLNCTYMVECY-ZETCQYMHSA-N 426.065 0.664 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1494478032 INTIVIGHLVFVOC-HUUCEWRRSA-N 434.522 0.892 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1503810148 CQBKXGIKPUMHDE-UHFFFAOYSA-N 425.493 0.684 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1507672392 ZITWZPARUHIGRC-IRXDYDNUSA-N 437.591 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507738292 LRJXAPIFZKVDDX-UHFFFAOYSA-N 449.577 0.451 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1507983221 PLJUIICAYSWAAE-ZDUSSCGKSA-N 427.556 0.636 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1508073972 ZWAPMTWXJQDRIY-UHFFFAOYSA-N 425.493 0.776 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1508087877 QMIVXLYRGSZBFH-CYBMUJFWSA-N 437.460 0.895 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC2(CC1)COC(=O)N2 1508135957 CYPMFDQEHHKREX-UHFFFAOYSA-N 434.522 0.963 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCC(O)CC2)cc1 1521094258 COORCOLRHSLKMD-UHFFFAOYSA-N 444.561 0.898 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539216855 XRJHRYUGIDLFTC-OAHLLOKOSA-N 431.522 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540869381 KURNBZCYORSEGZ-OAHLLOKOSA-N 444.927 0.906 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1540898411 JNVCUONAYIJSCA-UHFFFAOYSA-N 434.522 0.729 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CC1 1541943472 XCXUVJJPRKRGSX-CQSZACIVSA-N 430.538 0.892 30 10 ICEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)C1 1542599535 GLSQSWOTMFSSGJ-OAHLLOKOSA-N 433.509 0.573 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1548315881 BNVRYWVJUVVDGB-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 1561148973 CQQWIHCSGPJZAA-AWEZNQCLSA-N 428.507 0.873 30 10 ICEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1562523327 HNEVICFHISALND-UHFFFAOYSA-N 436.534 0.766 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588034658 JYXCTXXMJGEGSX-KRWDZBQOSA-N 443.529 0.883 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)nn2C)CC1 1594097309 QMTYNQPHPDSBLB-KRWDZBQOSA-N 435.554 0.858 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1595796975 CLBYEFBPSYWKND-HZPDHXFCSA-N 446.595 0.644 30 10 ICEE N#C[C@]12CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@H]1CS(=O)(=O)C2 1627137077 SKFQHJLQZFCYOE-BLLLJJGKSA-N 429.545 0.543 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)CC1 1632960849 NOIGAKNTECTZIT-UHFFFAOYSA-N 430.486 0.678 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)c(=O)nc1O 1633550829 ZWOHBGQKBAMEOG-JTSKRJEESA-N 437.456 0.986 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 1650848984 PMKNJORMDWUWMP-UHFFFAOYSA-N 430.280 0.403 30 10 ICEE CS(=O)(=O)C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 1660391892 HNAZCKHCXMRPEE-CVEARBPZSA-N 426.564 0.202 30 10 ICEE Cn1c(=O)c2cc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cnc2n(C)c1=O 1665913326 IENCJHYGPLEOSD-UHFFFAOYSA-N 437.435 0.997 30 10 ICEE C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1683834229 QXVONEJTCKUQAU-GOEBONIOSA-N 440.547 0.540 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689988104 JDURSVWJZSHTDS-SQNIBIBYSA-N 448.593 0.588 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690655319 OROYGHXAWRONPZ-UHFFFAOYSA-N 437.508 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690722270 CMDIEEBALWYESY-WMZOPIPTSA-N 447.565 0.493 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1705897251 IZVNQLMWMWVNJX-GOEBONIOSA-N 440.570 0.443 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705928342 PBWXAMBUTVLRGF-SJORKVTESA-N 437.566 0.978 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1722275864 GPGHSXUUJUYTGN-XHSDSOJGSA-N 435.554 0.747 30 10 ICEE O=C1CC[C@@H](c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1731216923 DDYICQMXBDNYJA-FUYOWACXSA-N 435.435 0.991 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740620661 GJBMMDSYFCZFPK-CQSZACIVSA-N 431.522 0.134 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1740960667 XKHRDQRKSOWQFB-IAGOWNOFSA-N 437.566 0.735 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCSC2)CC1 1749008617 FENMBUYOAJFQJD-FQEVSTJZSA-N 429.550 0.512 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCOCC(F)F)cc1 1750383063 OICRSYWAXQGIQX-OAHLLOKOSA-N 445.430 0.245 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760145555 QMIYXIMBXKHYAL-IRXDYDNUSA-N 438.598 0.991 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1760206272 VCDMQRVMIDZCHY-QZTJIDSGSA-N 434.566 0.026 30 10 ICEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)CCN2C1=O 1765299518 WBBISPLRCODFCG-MRXNPFEDSA-N 436.476 0.426 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1771305111 SZSBLXKZSRZGAZ-VJANTYMQSA-N 434.541 0.699 30 10 ICEE C=CCN1C[C@H](C(=O)N2C(=O)CCN([C@@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1853619342 BHNRUDDCMPTSKA-HZPDHXFCSA-N 431.514 0.978 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628041 CACIZDYQCKXOMK-UHFFFAOYSA-N 436.318 0.811 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 2255951056 YMRRZQNGGUIFPF-INIZCTEOSA-N 447.370 0.667 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 431358303 LXJNRSTXTHYIFU-FXAWDEMLSA-N 430.553 0.555 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 460894959 KEQYCOLYLRNZCL-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE CS(=O)(=O)NCC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 510176292 NWGBJVXNFLGSNF-QGZVFWFLSA-N 439.607 0.718 30 10 ICEE C#CC[C@@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1=O 606445091 REWGHOIZHYUXEH-DZXKJOIRSA-N 430.486 0.075 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cn1 735068468 CIJWJEWFQWXKDQ-MRXNPFEDSA-N 427.530 0.477 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1136325762 IALIZGAKZNVHTI-UHFFFAOYSA-N 447.289 0.683 30 10 ICEE CCN1CCN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)CC1 1136687283 KGKKDKGIJFYCDB-UHFFFAOYSA-N 428.468 0.808 30 10 ICEE COc1cc(CN2CC[C@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1137328319 ADVFEAHGKTUEEO-INIZCTEOSA-N 427.461 0.619 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 1175514767 IAECYCKUBSPKND-UHFFFAOYSA-N 433.578 0.442 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)CC1 1218746816 GIMRPVMYEMIBSF-INIZCTEOSA-N 448.505 0.139 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(N3CCC(C)CC3)CC2)CC1 1224742394 ZFSNHVKENYDCDY-UHFFFAOYSA-N 425.599 0.824 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1286400052 VAELNSXVLABXHW-KRWDZBQOSA-N 442.545 0.700 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1286429424 BFUBEZQNSOFYOO-ZWKOTPCHSA-N 435.550 0.501 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1286599536 ANMBSSDHVNWAFV-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286784000 SRXGZULDILYRIG-QFIPXVFZSA-N 440.504 0.981 30 10 ICEE COC(=O)c1ccc(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)[C@@H](C)C2)cc1 1292693819 ABSGUFGHUDOXIQ-AWEZNQCLSA-N 425.445 0.735 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300491341 HIEIVTVCNPHHEZ-CQSZACIVSA-N 449.533 0.794 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CCC)OC 1300578598 NDRWHBSHVKQHEA-MSOLQXFVSA-N 437.566 0.889 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300988539 FPORIBIQEMTHPB-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(I)c(F)c2)c(=O)nc1O 1301213930 WJKIVNUKYMKNFO-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1302525764 FSKXDCMSROAQKT-UONOGXRCSA-N 444.583 0.481 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1358889853 HPQZPJSGNRQPDV-SJORKVTESA-N 440.566 0.850 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358960655 IZNXRQYLPLSPEJ-KXBFYZLASA-N 435.575 0.778 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1358982293 QSYOQYPMHGSCHN-UHFFFAOYSA-N 431.543 0.920 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359298113 NNKDYAJPRYNUCB-UHFFFAOYSA-N 442.568 0.956 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 1455116393 YMAKCRMANZOOES-SFHVURJKSA-N 432.546 0.658 30 10 ICEE CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1501654444 VYTJNRBHXNXEKE-AWEZNQCLSA-N 432.506 0.927 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1503831428 PJFBRVSPNVKMAX-LSDHHAIUSA-N 432.462 0.480 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1507549720 MHNMMHGBMBQLFB-OAQYLSRUSA-N 443.529 0.761 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1507596689 MWTAPEKXXJJQBO-UHFFFAOYSA-N 430.553 0.853 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507621755 CAOIVILAKKYQGK-OAHLLOKOSA-N 432.506 0.589 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1507653737 QVZQCFBLSROMSW-IBGZPJMESA-N 448.593 0.560 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1507672390 ZITWZPARUHIGRC-DLBZAZTESA-N 437.591 0.970 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cc[nH]n1 1507684391 BPAOKQYMEUFSIP-UHFFFAOYSA-N 431.464 0.533 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCN(C)C2)CC1 1507721803 YUSTZFKMIIFVOB-NRFANRHFSA-N 425.493 0.675 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1508093641 JEPVZERNVLDZEM-FUHWJXTLSA-N 433.557 0.106 30 10 ICEE CC(C)Cc1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509226772 MPEANJBCEFBEBI-DVSFIDLUSA-N 429.525 0.524 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1519317096 DDHVOCWWHACJDW-DSLXNQLJSA-N 434.541 0.719 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@](C)(C#N)CN(C)C)ccc2F)CC1 1525356653 NXYMLECTCHLVFI-LJQANCHMSA-N 439.513 0.252 30 10 ICEE CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1547708253 LUDRYISOBZVQBJ-KIJUOZEOSA-N 444.540 0.473 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 1558073019 ITJRUVBRMDFTMQ-UHFFFAOYSA-N 426.451 0.228 30 10 ICEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583661330 DAQSDTZYFFSMDH-DZGCQCFKSA-N 449.451 0.508 30 10 ICEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C(C)=O)CC2)CC1 1588857318 MDJTXERUXIYGLA-UHFFFAOYSA-N 427.597 0.930 30 10 ICEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1620079012 LVOOKJRQLJRJML-KRWDZBQOSA-N 440.508 0.485 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(Br)c(C)c2)CC1 1650849035 RHANVQPHVCRMKQ-UHFFFAOYSA-N 430.324 0.748 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)C2=Cc3cc(F)cc(Cl)c3OC2)CC1 1663955615 YHGNLVLJKDXQIK-UHFFFAOYSA-N 427.885 0.909 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)COC)CC1 1690145975 BYTZFIJBRKILCL-WBVHZDCISA-N 437.566 0.429 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1705562769 JZKNMDZSSMBROP-KRWDZBQOSA-N 436.501 0.620 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1705589770 VZVRUVUZRHLONG-HNNXBMFYSA-N 441.579 0.176 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722364459 LANORYXZRINDHW-LSDHHAIUSA-N 428.580 0.996 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O 1729397992 NHPIGRONWLEQNV-UHFFFAOYSA-N 445.549 0.961 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740624658 JEBHWPODLJSBFC-RXVVDRJESA-N 445.545 0.696 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1740657733 WYKOOOHXNDUYIH-GOSISDBHSA-N 433.578 0.490 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740957949 FKSRKJXAFJADLF-INIZCTEOSA-N 440.570 0.588 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748811025 AFYOPOUOFQUTKL-INIZCTEOSA-N 448.940 0.855 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1748815471 QNIHPFOVCZROTF-INIZCTEOSA-N 426.564 0.607 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC 1748915008 RHXJTOLUWDSADA-UHFFFAOYSA-N 425.536 0.357 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1749049214 GCXFNPDXCNIQCQ-HOTGVXAUSA-N 443.595 0.450 30 10 ICEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1749372604 JZBIMYOENHJGDN-KRWDZBQOSA-N 442.499 0.978 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1749678106 WDTJELKUIAYBOL-HNNXBMFYSA-N 445.549 0.093 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749740962 LNUFQFOFKCQXSC-HZPDHXFCSA-N 427.527 0.072 30 10 ICEE COCCN1C[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1749864613 CMPSNSMMYMCXJY-DFEOGRTESA-N 448.524 0.226 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760193201 WOEKRSBPBPUVQA-INIZCTEOSA-N 437.566 0.748 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NCCC)CC1 1760255983 JOXCYNMSZAKNCU-UHFFFAOYSA-N 448.535 0.592 30 10 ICEE Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762562235 DIKXDZWRIGXVRU-OQLSDQBISA-N 442.568 0.718 30 10 ICEE CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1769075932 WCQYMUXMOPMTRM-NZKCYVOASA-N 445.524 0.804 30 10 ICEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1769319241 AUZZFPNAUBRYRE-INIZCTEOSA-N 442.524 0.731 30 10 ICEE C=CCNC(=O)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n2ccccc12 1858220123 KONBEELGSOVVGR-UHFFFAOYSA-N 427.486 0.870 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267537175 PCZQRGAVLFQBBU-CABCVRRESA-N 448.329 0.876 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]3CCCO3)c2=O)o1 471190719 JUVTXQDDINPGPH-KRWDZBQOSA-N 445.541 0.900 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505639492 PSJPCBJWACBPDO-UHFFFAOYSA-N 448.508 0.078 30 10 ICEE CC(=O)N1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 519202470 TZPLCRYGLOKUCO-UHFFFAOYSA-N 433.534 0.833 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765147036 ZYCBKYHDIADALX-UHFFFAOYSA-N 434.481 0.621 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@H](COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 774352035 VHBPWKGGUNNFRH-CYBMUJFWSA-N 439.490 0.904 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc2)CC1 782130679 YYESJKBDASOIEY-UHFFFAOYSA-N 442.501 0.144 30 10 ICEE Cn1cc(/C=C\C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 913206257 MNAIWQZOBDLVJD-WAYWQWQTSA-N 436.428 0.566 30 10 ICEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1167213507 GWRQLFPGZWLMDV-LJQANCHMSA-N 425.482 0.469 30 10 ICEE N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)nc1I 1189592519 VPAZFCRONVCDRS-UHFFFAOYSA-N 439.213 0.937 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(CC)CC2)CC1 1300681459 QKHRJAZOAFMWRO-UHFFFAOYSA-N 430.601 0.199 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CC1 1311568327 BYJARWKOKIMMNR-IBGZPJMESA-N 449.577 0.627 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)COC)CC1 1359040817 GZYAUGSQQFLQHS-GJZGRUSLSA-N 440.570 0.137 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359054330 RIFPAWYAFYMECL-FQEVSTJZSA-N 442.549 0.860 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1359293841 BHHMEXRBVIINFW-KRWDZBQOSA-N 428.493 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359299556 HXXXHAYIQDMOEI-OAHLLOKOSA-N 440.570 0.335 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359327205 VJDSXIFRJXAGEV-INIZCTEOSA-N 440.570 0.322 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1443358731 SWKLRSIDWCIVML-DHLKQENFSA-N 438.572 0.809 30 10 ICEE C#CCN(CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O)C(=O)OC(C)(C)C 1445496426 TXMKSEYFVAWKJK-QGZVFWFLSA-N 430.505 0.576 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 1455114976 JJPSKIIUTFTPJL-UHFFFAOYSA-N 433.578 0.119 30 10 ICEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)C2)c(=O)nc1O 1469793379 RHWHWHGAZGIYOX-IBGZPJMESA-N 438.488 0.678 30 10 ICEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c(=O)nc1O 1469793380 RHWHWHGAZGIYOX-LJQANCHMSA-N 438.488 0.678 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1507837049 HIIIOFRFNCCKNV-AWEZNQCLSA-N 429.543 0.870 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507956962 APLKBBTXHMGXDE-ZNMIVQPWSA-N 426.543 0.196 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1509822921 IVDXKOMWDBTFEZ-OALUTQOASA-N 440.570 0.998 30 10 ICEE CS(=O)(=O)CCOCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1519529717 LWUPJFCSNMBAOW-OAHLLOKOSA-N 425.536 0.720 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCSC2)CC1 1539467540 UPBDHCCKQRKDQU-NRFANRHFSA-N 446.577 0.348 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540868307 ZUXNTPNRSVDQCJ-QGZVFWFLSA-N 438.492 0.409 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1547764210 GJWXXNXLHFOGGT-UHFFFAOYSA-N 448.535 0.757 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555818039 ZOSOQFNWNAHAPR-SFHVURJKSA-N 444.565 0.380 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[C@H]2COCCO2)cc1 1555990096 DNVQTVBZSXIKKS-SFHVURJKSA-N 426.477 0.861 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 1558842717 VWAFETPBOVMZMD-MRXNPFEDSA-N 437.518 0.652 30 10 ICEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1566317558 CGNGMZITCZTEHD-UHFFFAOYSA-N 440.472 0.950 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595562087 NKSBMSYNPTVPTE-IBGZPJMESA-N 425.537 0.725 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1632965865 FKVNYHHYKXPODG-HNAYVOBHSA-N 444.554 0.061 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@]34COCCN3C(=O)COC4)C2)C1 1635845436 QFOBHEMVINXKGH-SHCPHELZSA-N 448.520 0.517 30 10 ICEE Cn1nc2c(c1C(=O)Nc1ccc(N3CCC(O)CC3)c(C#N)c1)CS(=O)(=O)CC2 1636142326 MUQGOORMEGFDKS-UHFFFAOYSA-N 429.502 0.976 30 10 ICEE CC#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1639840060 IJXVWDQWEYVLAF-KRWDZBQOSA-N 439.509 0.329 30 10 ICEE C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)C1CCOCC1 1645985541 CPACLIPFQKBNFQ-RTBURBONSA-N 435.546 0.760 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CCC)C2)CC1 1690111645 GSPUQANJGUPCEK-MSOLQXFVSA-N 437.614 0.375 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)CC1 1690112139 QEJQRKKOAFCQJG-OAHLLOKOSA-N 448.549 0.406 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1690515799 UQEIHMAJRFSZPI-STQMWFEESA-N 440.492 0.774 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1698320484 HEYBWCCQJVYVNT-CRAIPNDOSA-N 436.469 0.782 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705558873 KMPQVSNPQNQNEW-MRXNPFEDSA-N 431.518 0.797 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705905915 LNALMHYSAGXUOL-INIZCTEOSA-N 443.533 0.442 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1706942225 MPNBUCRRLWUSFQ-DZGCQCFKSA-N 443.533 0.913 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCNS(C)(=O)=O)c1 1722306874 GTOOUGCLOVKHFD-UHFFFAOYSA-N 430.534 0.836 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1722396064 FOFVEDAKAZVUER-QGZVFWFLSA-N 432.506 0.419 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722712306 PNMUWQXSLYGIGG-MRXNPFEDSA-N 436.538 0.400 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722724124 OHKKFBPCXKWLLB-GOSISDBHSA-N 432.550 0.536 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729671477 LNGQXLAEMXNEMQ-YEQJUMHLSA-N 443.508 0.618 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1740609318 NWTZVCWFTKMOEE-UHFFFAOYSA-N 427.490 0.699 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1749671051 YIRPLNOYHQHGBP-YOEHRIQHSA-N 428.493 0.911 30 10 ICEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1750062476 WTNNFXHOIOTEIP-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760526447 OQQUAVWNJJMSHN-QGZVFWFLSA-N 428.541 0.937 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOCC1(C)C 1761462857 BHXAPRWZMPMNBD-CABCVRRESA-N 427.575 0.737 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)[C@@H](C)C2=O)CC1=O 1857078926 VBGCQJSPQKVZFT-GOEBONIOSA-N 437.493 0.749 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OC)c1OCC 1865722378 PUURMHLLKXJCLL-AWEZNQCLSA-N 442.472 0.488 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2267580060 BQRPZJUWICZRAS-JOCHJYFZSA-N 441.341 0.481 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267880379 SNRKSWSFEWEHIV-UONOGXRCSA-N 448.329 0.876 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 508536111 XUQPBEZAZRDRBD-OAHLLOKOSA-N 434.522 0.922 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)cc2C1=O 511433192 RYTYRIZGMVEQMI-UHFFFAOYSA-N 440.485 0.717 30 10 ICEE N#CCCn1cc(C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c2ccccc21 532769778 FODHZEJXUJXZJQ-UHFFFAOYSA-N 445.545 0.932 30 10 ICEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)n1cnc(C#N)n1 540604045 WRXJETIWGDHNLB-LLVKDONJSA-N 432.491 0.249 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 603798306 XLUHIZSZFHULLL-UHFFFAOYSA-N 444.557 0.563 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(CC)s3)CC2)c1=O 738276101 YWKHIJKKKAJLAQ-UHFFFAOYSA-N 431.562 0.943 30 10 ICEE Cc1nccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 760093920 DQLWIPIFZFBUEH-UHFFFAOYSA-N 428.518 0.953 30 10 ICEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 767889785 FDJCZKORJDKGFH-UHFFFAOYSA-N 435.509 0.695 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@H]1CCS(=O)(=O)C1 774238363 YRDKGMMAWVTOBI-GXTWGEPZSA-N 439.515 0.472 30 10 ICEE C#CCN1CCC(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 780400766 LRTDIOQADQYDKS-FQEVSTJZSA-N 426.565 0.713 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccn1 795967536 YOHVFLNEJBHNGT-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE COCCCNC(=O)[C@H](C)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1167351038 ZKENKMKZZDYLJR-SFHVURJKSA-N 426.517 0.445 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H]1c1ccnn1C 1265116182 VFUDUKOVVRSBCP-BWAGFHJFSA-N 436.516 0.945 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1286376125 FXCPUJPOEVVZSF-ASHKIFAZSA-N 431.584 0.228 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286628785 GHIZRTRQEIBCRI-IHRRRGAJSA-N 444.945 0.078 30 10 ICEE CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1295809741 AOHWNMLKMBSFOE-LSDHHAIUSA-N 446.599 0.590 30 10 ICEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1299690543 GNLYDKIJINJFLE-OAGGEKHMSA-N 442.542 0.011 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1 1300609632 GUVSUBMWPIMXEX-UHFFFAOYSA-N 429.380 0.884 30 10 ICEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1301349618 MJTRYFDTXBJAQE-ZDUSSCGKSA-N 449.516 0.792 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C[C@H]1O 1315108345 GEXUJWVJTJEZTI-IAGOWNOFSA-N 426.477 0.702 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1358958400 NIFCOUBTRHRZLJ-GOSISDBHSA-N 440.529 0.922 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)[C@@H](C)CC)CC1 1359029038 MSOQFUKGURKLCR-ULQDDVLXSA-N 426.587 0.705 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1359060093 JXFCRBAPHPJVLA-UHFFFAOYSA-N 440.595 0.239 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359221532 FVHPGURUWJJCQO-GOSISDBHSA-N 446.552 0.934 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359294628 ZWCXUGFDBQQUMZ-OAHLLOKOSA-N 443.895 0.048 30 10 ICEE NC(=O)CC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1505335240 SOUNHOLWPZATQF-VXPUYCOJSA-N 427.509 0.849 30 10 ICEE COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1519223329 VHUZPNYAMUAIKW-JKSUJKDBSA-N 448.549 0.850 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1519451835 YFPMJEMLHXIKIG-JYJNAYRXSA-N 439.538 0.556 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539216364 QVBMEPFGMSDVQP-SUMNFNSASA-N 434.547 0.273 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1539517083 IGILWRVBEJZKBR-MRXNPFEDSA-N 439.607 0.995 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1544571358 FHBDOZSSJPOBPB-JKSUJKDBSA-N 442.520 0.966 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1587639238 KSWIUDCCRIAGGO-BBWFWOEESA-N 447.565 0.528 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588035631 WHLMLDSINJBSQH-YLJYHZDGSA-N 448.549 0.339 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 1588914151 YEVFUJUZIZOJKQ-UHFFFAOYSA-N 449.437 0.984 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595529862 KEHCDXCYBTVPLW-UHFFFAOYSA-N 425.497 0.375 30 10 ICEE C=C[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1597001365 ABDFEJLPDWBIIE-RDTXWAMCSA-N 425.507 0.784 30 10 ICEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cn2)cc1 1636093800 YMAIPCCFMJZKCQ-SJLPKXTDSA-N 427.486 0.777 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1638202140 DTDNHRGNUABQLH-SUMWQHHRSA-N 425.532 0.651 30 10 ICEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1639044638 FXWGQZSUTQYRTC-IGOJGBNBSA-N 429.502 0.611 30 10 ICEE N#Cc1cn(C2CN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)C2)c(=O)nc1O 1640637277 XGVKORWLRNAITB-UHFFFAOYSA-N 443.485 0.377 30 10 ICEE N#Cc1ncn(CCNC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)n1 1682197621 XJXGACUWVBONTR-UHFFFAOYSA-N 432.282 0.966 30 10 ICEE Cc1ccc(CN2CCO[C@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)C2)cc1 1684655068 WSLXNOJAVSGKFJ-GOSISDBHSA-N 426.477 0.329 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1689988742 VOVSUVIEXDQWEC-QGZVFWFLSA-N 440.533 0.957 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N(C)C)CC1 1690132870 ZJUUGXKFYGPWLY-UHFFFAOYSA-N 429.550 0.503 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690484779 DEBHFNUQJHGTSW-LSDHHAIUSA-N 426.543 0.244 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1697705668 CPNSJBRJGQMUSO-NRFANRHFSA-N 442.545 0.980 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O 1705700214 QFFVDVBTENMAJT-HWMZRRJGSA-N 425.555 0.862 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1710328552 HTMMHQZSYVFYKF-UHFFFAOYSA-N 438.536 0.553 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1729717202 ALHGGOMUGRPLES-UHFFFAOYSA-N 436.520 0.353 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740619479 PDPAMLHLMGUFDQ-MGPUTAFESA-N 431.518 0.952 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1746676648 WPNOLVQGVPJVQI-SFHVURJKSA-N 426.543 0.609 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748802458 QFKRWGOVGPJHDW-GVDBMIGSSA-N 437.566 0.858 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1760186279 LQYWFMFLGZUHBL-SFHVURJKSA-N 434.566 0.995 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1760210719 VPNPBKZDCFPUAT-CYBMUJFWSA-N 425.465 0.991 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760262371 NBYDVTOVUUDIPR-QFIPXVFZSA-N 443.573 0.482 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760281593 URWVRAYBDKKUQJ-HNNXBMFYSA-N 425.580 0.999 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760281653 VTDRMGCLIBIQGT-ZACQAIPSSA-N 448.593 0.963 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760526166 GMFPVTRVCVTFNL-QGZVFWFLSA-N 441.540 0.482 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1761502304 XVDIAQTWBHEYBR-WMLDXEAASA-N 448.549 0.893 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1768659679 HHGGXNYACORCSX-FXAWDEMLSA-N 431.518 0.840 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C[C@@H]2C(=O)NCc2ccncc2)CC1 1852190025 GUHALVWJAQCIBE-PMACEKPBSA-N 434.500 0.966 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCNC(=O)OC(C)(C)C 2247882406 OGTXGNLZCJAXRA-UHFFFAOYSA-N 444.363 0.912 30 10 ICEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H](O)C1 2248445233 JWFGLMRESGLNRV-MUWWLHTESA-N 440.331 0.616 30 10 ICEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C(=O)C1=O 35478941 XEXNENFPRLHOKZ-UHFFFAOYSA-N 435.531 0.701 30 10 ICEE C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(CC(=O)N3CCOCC3)C[C@H]12 35872079 FYZHXOSWIJYSNR-TZIWHRDSSA-N 428.533 0.519 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 460813012 ZAOMGAMLIUZBKL-ILXRZTDVSA-N 449.599 0.445 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 505700421 PGBWBPBDCNIFNI-OAHLLOKOSA-N 429.546 0.550 30 10 ICEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549292101 MTTKXXXJNXXFAY-UHFFFAOYSA-N 437.508 0.811 30 10 ICEE C#CCN(C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)[C@H]1CCS(=O)(=O)C1 729331703 GECGMFULPQAGRO-HNNXBMFYSA-N 447.513 0.843 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 795082035 WVZCSVYCDSVJFE-RXVVDRJESA-N 442.564 0.392 30 10 ICEE CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1276804968 OIXDJPHVTVKGDK-UHFFFAOYSA-N 440.481 0.870 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286471069 HDXUERKBIHFNCH-HXUWFJFHSA-N 443.596 0.626 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)n1 1304753298 ATVIAIKHCPKADV-GOSISDBHSA-N 436.517 0.617 30 10 ICEE C#CCOCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1306017001 WXCGVHIWKUXDKU-UHFFFAOYSA-N 448.545 0.635 30 10 ICEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1353643414 JYMYDXBOXJSMRT-UHFFFAOYSA-N 430.486 0.943 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358933580 YEFUVHGBCBIKTA-GOSISDBHSA-N 427.553 0.557 30 10 ICEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2cncc(C#N)c2)c1OC 1456017979 GUBHLMCHBQMBSR-UHFFFAOYSA-N 446.485 0.921 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1507654149 WOXHMNGNTINJDV-GOSISDBHSA-N 443.529 0.722 30 10 ICEE CCOCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1516688323 VLOZOVFAIGKASY-HZPDHXFCSA-N 442.542 0.156 30 10 ICEE C#C[C@H]1COCCN1C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1528153176 CSNPLIBGKHLLCR-AWEZNQCLSA-N 425.463 0.865 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1540866774 ZNFQTRWOGYZELE-UHFFFAOYSA-N 433.900 0.766 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 1566673859 VOGQUXLFHIQRQW-MRXNPFEDSA-N 440.591 0.520 30 10 ICEE C#CC[C@]1(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1584502040 CZLPCGYFTRLCHE-OAQYLSRUSA-N 428.493 0.880 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1588053061 AQDZYRZAKTVDRD-IRXDYDNUSA-N 436.582 0.588 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1595790267 KGFPZROXGWNMHQ-GOSISDBHSA-N 435.546 0.472 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)cc1 1611570954 NBWVEHLWRJEPHH-CALCHBBNSA-N 437.543 0.462 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2=O)cc1 1634588097 FSPYPKAJPGLBLM-ILXRZTDVSA-N 429.420 0.998 30 10 ICEE CC(=O)NCCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)C(=O)OC(C)(C)C 1654109312 FRBLPSJZMKIRGS-HKUYNNGSSA-N 437.585 0.847 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1689979392 AEQIKDLABVIKTG-KKUMJFAQSA-N 436.538 0.407 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 1690597232 NAZUAIVWXZBYJM-QFBILLFUSA-N 441.554 0.595 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)CC1 1705633114 JEUSLNPAWMVTFV-IAGOWNOFSA-N 446.581 0.103 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705907596 RDZCKPXMHIMMTK-UHFFFAOYSA-N 447.540 0.760 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1707955128 GGGNOJIQGQXZBJ-QAPCUYQASA-N 426.477 0.811 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1709840015 GDKAYESUTBIDOO-UHFFFAOYSA-N 438.536 0.553 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC(C)C)CC1 1722444818 OQJGGCSEMTUYTD-OAHLLOKOSA-N 440.570 0.279 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1722732517 LOZCDBKAEQNJSF-CABCVRRESA-N 430.600 0.328 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1/N=CC=CC1=O 1723601067 XHBVFTNTPPSMMJ-IAOFPLEJSA-N 429.481 0.310 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740655625 DVKCMMMHIMLEGW-LJQANCHMSA-N 434.500 0.508 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)CC1 1740691008 RWNJCEGWCUUXPW-SFHVURJKSA-N 437.614 0.375 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C2CC2)CC1 1740700946 OINSKJZTQBTKBK-QGZVFWFLSA-N 441.580 0.963 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964396 BLVAJGVVKVAHJG-HNAYVOBHSA-N 441.554 0.244 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1741949255 UEUSPNVNXKEXCF-UAGQMJEPSA-N 445.549 0.720 30 10 ICEE COC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1749577500 CMGXILHWXIIELK-FTMBYXELSA-N 430.509 0.997 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cncn2)nc1 1760243376 HUUXBWGWMXOUKP-UHFFFAOYSA-N 435.492 0.624 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)CC1 1760259468 BZVSBDBMHJCBFC-RTBURBONSA-N 429.569 0.485 30 10 ICEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1)[C@@H]1CCOC1 1766958714 PSTUGQPTJJIPTE-QGZVFWFLSA-N 431.518 0.982 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1771539234 RBBJBTAHPVPSRG-NVXWUHKLSA-N 432.506 0.837 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCCO3)C(=O)C2)C1 1854355481 ZDDXPQRPDAWWSQ-DLBZAZTESA-N 432.502 0.171 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873561992 IJLCQCFPAQYMKD-UHFFFAOYSA-N 427.553 0.509 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2081007538 ACDMJVXKPLTAOK-PRFSMCDRSA-N 438.330 0.878 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCN)cn1 2158596987 CHLVOTCWQOHWCL-UHFFFAOYSA-N 427.486 0.851 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)n1 2243383539 ZPSXMLDFERQKIZ-UHFFFAOYSA-N 441.297 0.865 30 10 ICEE CC#CC[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 2298015549 FZNPMYFMKLKFLD-FXUDXRNXSA-N 441.525 0.750 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 463349343 LXFBNEQZLTUDJK-INIZCTEOSA-N 437.566 0.426 30 10 ICEE N#CCN1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 465144776 GJAUAQAORPAOSK-UHFFFAOYSA-N 443.323 0.470 30 10 ICEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 506050573 CSFDETCJPKBCHB-UHFFFAOYSA-N 448.545 0.916 30 10 ICEE CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506640706 BAYDQUZTPAIMHM-MJGOQNOKSA-N 429.569 0.850 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 522043238 FDUYPUVLHRDDEG-QGZVFWFLSA-N 434.518 0.467 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 542002053 FDCVHAPGYRADQT-LBPRGKRZSA-N 446.510 0.864 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1Cc1ccccc1 753357772 IUSMTYUDCQACQO-UHFFFAOYSA-N 448.504 0.878 30 10 ICEE C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)C1=O 799129666 SHCHFFNENFJHKT-KRWDZBQOSA-N 441.575 0.492 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)cc1 802586487 PIHBOOUMHAVYHU-LWOZTNPUSA-N 444.460 0.930 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1288826349 QWSVNUHTFMJZGV-XWCIJXRUSA-N 427.506 0.245 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300485331 YWUHUVZKCNEQDB-QKLQHJQFSA-N 438.550 0.736 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnnn2C)CC1 1300685980 VZFDMITUGYUEGA-UHFFFAOYSA-N 430.314 0.968 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O 1300915274 LUSJULCDTJFSQR-INIZCTEOSA-N 428.559 0.540 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)CC1 1312097762 TWGMKFDSDGUKRO-UHFFFAOYSA-N 448.593 0.516 30 10 ICEE C#CCN(C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)[C@H]1CCS(=O)(=O)C1 1320031872 JCFNRRLHLSMRBK-KRWDZBQOSA-N 433.534 0.115 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1358992265 GUNUUGPEUZWQOL-UHFFFAOYSA-N 444.517 0.504 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(N)=O)cc2)CC1 1359038535 ZLGRHABKPWOMRX-UHFFFAOYSA-N 436.520 0.695 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1359041486 YFOIJJHVJBAGMU-UHFFFAOYSA-N 441.536 0.807 30 10 ICEE COC(=O)CCN1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1473267348 SJIPWBZYAJANFD-SFHVURJKSA-N 434.518 0.419 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccn2)c2ccccc2OC)CC1 1478363409 DGSYKIMJJONTAK-FQEVSTJZSA-N 443.529 0.974 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1494105941 FNVLMVDNDSNOMS-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1507646641 HKLZLIZNQOZTKO-UHFFFAOYSA-N 428.514 0.966 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1507668127 UPJSHZROKABDTH-MRXNPFEDSA-N 429.484 0.934 30 10 ICEE Cn1cc([C@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1538539889 OHKJVWFHQONXSG-PYWIUJKZSA-N 433.534 0.505 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(I)ccc3N)C[C@H]1CS(=O)(=O)C2 1558643256 QCJITDIUQBJXTC-LKFCYVNXSA-N 431.255 0.884 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587798043 ACHKPAFLJWFKBL-QGZVFWFLSA-N 427.553 0.717 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587803869 OUFQBGDLMKTAJE-SFHVURJKSA-N 429.569 0.963 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588055045 RVJWASYHUQVTRQ-MSOLQXFVSA-N 443.529 0.556 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1588064102 AKODVKJQFXBTRR-QGZVFWFLSA-N 440.591 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1595761037 WPLDNVWEKKLXNI-UHFFFAOYSA-N 442.542 0.296 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CSC1 1632571814 PABQDQHHSYVKBD-UHFFFAOYSA-N 439.534 0.869 30 10 ICEE C#CCN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818558 SIEYSEOBAGSYTG-HNNXBMFYSA-N 432.481 0.861 30 10 ICEE CC#CC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679170514 URXSIXFDEHXVPG-MRXNPFEDSA-N 439.534 0.930 30 10 ICEE COCCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1681356426 WOKCBDJSGMJYSF-MAUKXSAKSA-N 441.531 0.186 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CC2)C1 1690700863 YZOCKDIMMYCWJX-WDYLCZHCSA-N 428.580 0.873 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690727188 WIOYWCJMKJMDNY-UHFFFAOYSA-N 445.611 0.692 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1698318782 LBJZIHYRENFNIX-LSDHHAIUSA-N 432.462 0.480 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705897748 SOYCEVNZGWKAQI-INIZCTEOSA-N 436.557 0.999 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705899990 MNVJTHJNKCUQLY-INIZCTEOSA-N 426.481 0.342 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1712711057 ZGKYEGCMHCBHNZ-FQEVSTJZSA-N 443.533 0.615 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722505164 AMZCDGGRZOOYRS-YVSFHVDLSA-N 437.566 0.828 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722692168 GOGGTYUNVLBIIH-INIZCTEOSA-N 431.541 0.509 30 10 ICEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740571687 UDOLKCRDDMRGCL-UHFFFAOYSA-N 437.508 0.543 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740618463 IEFSEHRSTZUYHF-YLJYHZDGSA-N 448.549 0.339 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740626899 WVTNYTKBJCGMQJ-QGZVFWFLSA-N 445.545 0.640 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740772814 MYZGGXDHLIXAJA-QGZVFWFLSA-N 439.520 0.895 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(C)c2C)CC1 1740825823 UXHUUBILFPWERL-QGZVFWFLSA-N 435.554 0.858 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740958898 WQRROZDDEQOWGK-MSOLQXFVSA-N 440.504 0.816 30 10 ICEE CCc1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744710149 KFIXZPXLPLELAE-DVSFIDLUSA-N 431.541 0.914 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1748211517 NLKWCKRBKXTTSS-KSZLIROESA-N 426.477 0.308 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1748838662 BGHUFDUKLNQBKG-UHFFFAOYSA-N 425.474 0.521 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1748991178 RSKSNLGJGONRLT-HZPDHXFCSA-N 431.541 0.898 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1760194917 SQDWEBNYVPLJNA-QZTJIDSGSA-N 436.582 0.318 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1760519606 JHLQJDHVGCDYIB-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760549027 VEJHGUDYJZNCPP-UHFFFAOYSA-N 447.565 0.823 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760556959 VJFJCLRZVKEAKG-KRWDZBQOSA-N 432.550 0.827 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1772566418 AQOTVCYOKWMGIH-LJQANCHMSA-N 448.531 0.725 30 10 ICEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCCN([C@@H]4CCOC4)CC3)ccc21 1856930603 MQAWGNFSNMJSKE-MRXNPFEDSA-N 432.502 0.501 30 10 ICEE COCCn1c(C(=O)NCC#CCN(C(C)C)C(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1889952123 NZNHLJHCFIRCCQ-UHFFFAOYSA-N 431.537 0.537 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 1890378299 OLHWTYCCBAPUDS-UHFFFAOYSA-N 437.548 0.924 30 10 ICEE CCn1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255811273 BEXMMPICDROEIA-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE N#CC1(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCC1 514433835 KATIRTHKRSPZNX-UHFFFAOYSA-N 441.579 0.537 30 10 ICEE C[C@H](NC(=O)[C@H](C)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(N)(=O)=O)cc1 546919414 WPBGUFSPEIISOQ-HOTGVXAUSA-N 442.545 0.989 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 590914113 DACBYETZMRKAAN-GDBMZVCRSA-N 428.514 0.138 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 603566173 LUSXDFGCBMWFON-UHFFFAOYSA-N 431.474 0.530 30 10 ICEE Cc1nc(S(=O)(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1C 608853639 PNQNAGJPDNVQCD-HNNXBMFYSA-N 448.530 0.419 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669816121 OQGCPMJPCIDJOL-AWEZNQCLSA-N 425.559 0.801 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732663718 CZYXQFKPKQYGNE-RBUKOAKNSA-N 448.545 0.915 30 10 ICEE C#CCN(CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCS(=O)(=O)C1 754645221 YAVHGJNUSQECCR-DLBZAZTESA-N 426.560 0.770 30 10 ICEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 774770837 RUMRBRQESXIPFM-CYBMUJFWSA-N 425.511 0.860 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1140633393 HXWPQPFRVPXWPR-CQSZACIVSA-N 443.522 0.716 30 10 ICEE Cc1cccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCOCC2)c1 1211236088 CBHCVGVYURHLTK-GOSISDBHSA-N 426.477 0.502 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC)CC1 1286476250 SDBIUAIXNUZWDB-UHFFFAOYSA-N 431.518 0.864 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286787604 XFXPDMDEADNMQF-UHFFFAOYSA-N 429.529 0.611 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286792914 LHTFTGAYXHIIIG-HNNXBMFYSA-N 428.493 0.835 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1286794088 WCSHOGXGGFEQNW-UHFFFAOYSA-N 426.525 0.698 30 10 ICEE CC#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1300300992 MXXQZFSCIPKXSG-LJQANCHMSA-N 449.573 0.807 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNS(C)(=O)=O)CC1 1300703225 BWLQOFHZHHMZFW-UHFFFAOYSA-N 437.595 0.328 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1301258291 PGKKJPNRZZUARO-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE COC(=O)[C@](C)(Cn1cccn1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1308144839 DBSWFOAXPVRVDU-KNQAVFIVSA-N 442.495 0.953 30 10 ICEE CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315066114 XHFLUEGOBMMSDW-SJORKVTESA-N 445.549 0.709 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1358903800 KGONDJDZEMYKMH-MRXNPFEDSA-N 429.525 0.986 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1358972084 SVHMZSFYAJPGLE-UHFFFAOYSA-N 428.474 0.962 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359329964 ASCRMQQAJTURRQ-QGZVFWFLSA-N 445.549 0.981 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1470544519 LBWRWQNRCXRQNU-CVEARBPZSA-N 443.570 0.475 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(ccn3CC(=O)OCC)c2)CC1 1476128371 RSYQCIXKFUJQGN-UHFFFAOYSA-N 447.517 0.822 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503734172 QNBNYRDRJUZNJM-DNCYLBRYSA-N 443.508 0.271 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507633569 TUHUVWDEOSKOHO-PDOICOKGSA-N 438.550 0.686 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSCC#C)CC1 1507739962 HHNVEGRBHYXGJI-UHFFFAOYSA-N 428.562 0.733 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508084316 MHCXUUZBDXGMIM-ZBFHGGJFSA-N 429.550 0.898 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1539210990 IJSLMJWGUYLMPS-XMSQKQJNSA-N 443.573 0.947 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540902280 FODVBFGXDFFSIE-HUUCEWRRSA-N 449.537 0.905 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1543060245 HSSHIXUJPDAXKU-MSOLQXFVSA-N 438.569 0.979 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554405958 AIFIVJOSBOQNTJ-OGLOHFSISA-N 427.509 0.719 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)Cc1ccon1 1588210273 GYGUCCJONGTKEM-UHFFFAOYSA-N 441.517 0.854 30 10 ICEE COC[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1619584924 BCDXYNGTSYNLSO-HOCLYGCPSA-N 426.543 0.633 30 10 ICEE C#CCCN1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1621695848 CPDJVMZWTIUPPZ-PMACEKPBSA-N 435.546 0.993 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1643372589 SESIPRMYMNBPHZ-CABCVRRESA-N 432.518 0.193 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1644285086 HGTHMWQUQGZUTM-RBBKRZOGSA-N 446.573 0.137 30 10 ICEE C=C[C@H](CO)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1659536815 WGNWFRRUWSURLP-KHAFMBKQSA-N 435.527 0.869 30 10 ICEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)C1CCCC1 1682366202 AOAIIKYNBRTESL-SFHVURJKSA-N 449.581 0.740 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689908080 WCAVQZVDCNTRCB-AZUAARDMSA-N 441.580 0.916 30 10 ICEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690172308 BMYCJHBSTKLPBQ-UHFFFAOYSA-N 432.594 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1690729499 OCJPLMQEZTUJBY-UHFFFAOYSA-N 437.497 0.923 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1698254874 OWVZRGWVQRIPFV-BZSNNMDCSA-N 428.493 0.786 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1705580007 AXKJQFCANMPFSV-QGZVFWFLSA-N 426.502 0.258 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)CC1 1705633085 IUMZDVMBCCCLRH-INIZCTEOSA-N 446.581 0.153 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1705634971 NVLUPOOKFKGAFH-BWAGFHJFSA-N 433.553 0.614 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1711046158 QZWUSEHFHNZOOA-HZPDHXFCSA-N 444.517 0.631 30 10 ICEE CSCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1712819523 SMTSUHREANOUBB-WMQDPJMESA-N 433.538 0.945 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1722462935 UMSXKDBGTMHLQJ-UHFFFAOYSA-N 431.566 0.801 30 10 ICEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1727286620 KBHKMUPZOAQLSB-KRWDZBQOSA-N 437.504 0.515 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1729217924 CAYQLJXQWDCAAE-UHFFFAOYSA-N 425.559 0.876 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729408695 IBZXOYWYSYTKBS-FQEVSTJZSA-N 441.517 0.736 30 10 ICEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1748745627 VQDFCQDLTCTFCA-INIZCTEOSA-N 445.549 0.603 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748773304 WFFSENCMWKYRID-JKSUJKDBSA-N 447.565 0.626 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1748965051 PCEPDTLMVJYZBL-FQEVSTJZSA-N 436.509 0.644 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1749669725 MYAPJUDONWFYDC-IRXDYDNUSA-N 438.598 0.651 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1749740910 ZZMYMFDTRCXEPA-UHFFFAOYSA-N 449.533 0.745 30 10 ICEE Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762562237 DIKXDZWRIGXVRU-PNBGARPFSA-N 442.568 0.718 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1769418770 CZZYGTTYMHEJOR-MRXNPFEDSA-N 432.506 0.707 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccco1 1771305126 UEDUFAQJALKUTB-UXLLHSPISA-N 430.465 0.754 30 10 ICEE C#CCCCN(C)C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1852763658 DDLAHBHTDLFUAW-QGZVFWFLSA-N 428.532 0.879 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)[C@@H](C)C2=O)CC1=O 1854615654 RLKIZZXGDKUCRU-QWHCGFSZSA-N 441.456 0.747 30 10 ICEE CC(C)S(=O)(=O)N1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1855799125 DXNSJJZMOFOBQV-LJQANCHMSA-N 432.546 0.974 30 10 ICEE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858661654 MHLDGVBKAUXBCU-UHFFFAOYSA-N 430.442 0.903 30 10 ICEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)c1 1858987807 NCVVUJVTGSVIPS-UHFFFAOYSA-N 441.513 0.834 30 10 ICEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2255777796 JEPWYDWCLPOSSR-HNNXBMFYSA-N 449.386 0.913 30 10 ICEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255824445 IGCSKNOBFIWTDX-KBPBESRZSA-N 436.318 0.429 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N(CC)CC)CC3)cc2C1=O 10374100 FHDANZGMVWHPRG-UHFFFAOYSA-N 434.518 0.813 30 10 ICEE COc1ccnc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 518177657 QZWSACNVCVQION-UHFFFAOYSA-N 430.490 0.558 30 10 ICEE N#CC1(c2ccc(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 537470044 LHFIAKLBYUZGFO-GOSISDBHSA-N 430.530 0.303 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 579499126 AYWIILWQISIFNV-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611371707 FPWIBWFQPVGMCY-AVRDEDQJSA-N 437.548 0.808 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1C[C@H]1CCCO1 752194916 SDFBZYRJUXFOKE-CYBMUJFWSA-N 430.555 0.913 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(c2cccnc2)C1=O 784737809 IYTZMVNTUWKRIW-INIZCTEOSA-N 427.486 0.822 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)cc1 802586488 PIHBOOUMHAVYHU-UGHXVNEISA-N 444.460 0.930 30 10 ICEE Cn1ncc2c(=O)n(CC(=O)OCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)cnc21 858007068 ZFRPKBXIDQLWTQ-UHFFFAOYSA-N 447.373 0.860 30 10 ICEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ncccc2C#N)CC1 1135889361 DYIAHYIZTRPCMD-CZUORRHYSA-N 435.531 0.391 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1176743221 CWQPFAACEDJGKY-MSOLQXFVSA-N 448.545 0.893 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)c1 1177381276 LHSGLUKGDMSEKC-UHFFFAOYSA-N 449.554 0.920 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CCO1 1299160002 ZAMISHMTSQTCBK-JQFCIGGWSA-N 430.465 0.466 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1300479816 SKWNQYFLDSRAFN-QGZVFWFLSA-N 430.534 0.681 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301498524 PVBGJDXQZMLFPG-AWEZNQCLSA-N 432.529 0.162 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 1302921576 KZOXZOSXFDWLNN-LJQANCHMSA-N 446.573 0.767 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 1311762971 OJRNPLGYLUUETC-UHFFFAOYSA-N 439.607 0.755 30 10 ICEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1359038384 UOMZLUKZEWXWNU-UHFFFAOYSA-N 448.531 0.808 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359300694 IORKWAOEEHSZMM-DLTWYDFYSA-N 438.554 0.148 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1443353652 GJXHWBONNOETFJ-IEBWSBKVSA-N 427.423 0.081 30 10 ICEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(C#N)CCCC1 1452766212 GIKLHJFULBELRG-INIZCTEOSA-N 427.548 0.968 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1455116358 YBHOBPHMMZLHTQ-HZPDHXFCSA-N 428.555 0.682 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(Cn2cccn2)C(=O)OC)s1 1472283000 FOIZJHIOKMEWKB-QGZVFWFLSA-N 426.520 0.700 30 10 ICEE Cc1c(Br)cccc1C[C@@H](CO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 1475300224 BAONOVBMSZGQPX-UKRRQHHQSA-N 432.340 0.967 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1507651587 QXAVDFGPIQPEFT-UHFFFAOYSA-N 444.586 0.715 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCOC2)C1 1508676231 DJZVAMHFUBZQDD-KGWSRGFLSA-N 448.524 0.929 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOC[C@@H]1C 1513915561 AMYDOUKTUNGCTN-INIZCTEOSA-N 427.557 0.801 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539804451 WAOSFUHSNVQCGV-CXAGYDPISA-N 444.945 0.222 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540901522 GLLTXLITKPVICS-KRWDZBQOSA-N 447.565 0.494 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1618544508 ZOAVQDCNFYKRAA-LVHCJKAXSA-N 440.508 0.628 30 10 ICEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 1618705033 DQRVDPWQAFYPGQ-RDJZCZTQSA-N 425.942 0.964 30 10 ICEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1628036704 WJCHNISFBDIVOO-LSDHHAIUSA-N 431.555 0.998 30 10 ICEE COC(=O)CN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1629734699 GMDPHEADCULCEB-RDBSUJKOSA-N 429.495 0.182 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)s1 1631545747 QXSIKDNBSZTGCT-CXAGYDPISA-N 448.588 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 1669718261 KQVYTNSOKWWDLL-AZUAARDMSA-N 433.578 0.692 30 10 ICEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)c1 1687346483 IKMBUSNQHMIURO-ZJOUEHCJSA-N 432.546 0.776 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689988486 PYLYLQFOVXHUKK-WMZOPIPTSA-N 431.566 0.790 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)CC1 1690111458 CADAEJNQNBAQSA-MRXNPFEDSA-N 432.550 0.184 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1690659496 VAQOXVLMQISHHM-ZDUSSCGKSA-N 438.558 0.177 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494745 YZDZOGGXGUMBLY-LZLYRXPVSA-N 428.468 0.994 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1705572134 RUMSJXORQJAAQM-UHFFFAOYSA-N 443.529 0.972 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC(OCC)C2)CC1 1705642371 RIENEYZYJCWSCH-UHFFFAOYSA-N 427.553 0.825 30 10 ICEE CCc1nnc(N2CCC(NC(=O)COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727561728 LBBUIUNGNUBPNK-VHEBQXMUSA-N 431.497 0.098 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)N1CCOCC1 1730941000 CKBPPIMTQMDUQR-WMZOPIPTSA-N 432.525 0.991 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCC(O)CC2)c1 1731180041 FLYOMZLDLGHHHI-UHFFFAOYSA-N 444.561 0.898 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1740685267 DKUTWSBWXOHSSU-QZTJIDSGSA-N 437.566 0.525 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740715953 QRWJTIJJPIQCAR-SFHVURJKSA-N 442.593 0.788 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1760184172 WJRZRVRHJUFGED-HUUCEWRRSA-N 433.538 0.571 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCC2(O)CCOCC2)cc1 1771534596 HXNSYRCYWWKTHO-UHFFFAOYSA-N 440.504 0.987 30 10 ICEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870560497 YRRLJANSFMICNS-UHFFFAOYSA-N 446.548 0.857 30 10 ICEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873561886 DEGPQQVTKPNDOZ-UHFFFAOYSA-N 430.553 0.966 30 10 ICEE C#CCOCCOCCS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882817219 ZBQRHACCPXEXNL-KRWDZBQOSA-N 427.475 0.837 30 10 ICEE C#CC1CCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1891983063 SNZGAZSWIQYXHA-UHFFFAOYSA-N 433.530 0.651 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2255697221 GEGCQVYQDUAKII-STQMWFEESA-N 433.318 0.948 30 10 ICEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3nc(=N)[nH][nH]3)C(=O)[C@@]12C 2297591339 VGUAKSIQOXPFLO-NRFANRHFSA-N 439.428 0.889 30 10 ICEE C=CC[C@H]1COC[C@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310017 JDYXTERSBJQQFM-GVDBMIGSSA-N 426.491 0.965 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1 467611187 AADNWRSVOBIVPD-UHFFFAOYSA-N 446.533 0.941 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505630955 BXWCTJPCQCAWJI-UHFFFAOYSA-N 430.493 0.618 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccnc2C)CC1 508938634 LLBKYBKDZNMNIT-INIZCTEOSA-N 448.553 0.222 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 509010235 HVWKGLBQUGKIPV-VKJFTORMSA-N 427.527 0.181 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706405 INPZJXJWXAXROD-INIZCTEOSA-N 431.518 0.025 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)CC1 778555952 FWIZNPZRBHXDMN-UHFFFAOYSA-N 438.475 0.692 30 10 ICEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2Cl)C[C@@H](C)O1 816694190 AFUOSMULSDNDKR-UHIISALHSA-N 431.898 0.858 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)CC1 1167529416 LJSCSDKUOCBYNU-UHFFFAOYSA-N 439.604 0.724 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)CC1 1231361413 HEKMRCLJCORFAU-UHFFFAOYSA-N 441.554 0.181 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286382333 QWXQOBLXGNHLCW-INIZCTEOSA-N 437.566 0.860 30 10 ICEE C#CCN(c1nnc(COCC)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286398180 WKTXCPFAFFHRPP-OAHLLOKOSA-N 425.555 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)CC)CC1 1286492097 HAJXOIBXPHTDQP-WJOKGBTCSA-N 445.593 0.874 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1286818411 IFFZSLXVGBVQDI-UHFFFAOYSA-N 435.510 0.614 30 10 ICEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289203818 HPKBJEKZOKWRCD-UGSOOPFHSA-N 441.456 0.642 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H]1O 1299412071 ATCPCYYVXXEMSE-QZTJIDSGSA-N 438.488 0.703 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301036857 MUBQQLPEIQBVKV-COXVUDFISA-N 435.960 0.971 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1301587973 BCPCDDCGXPIQKU-AWEZNQCLSA-N 440.551 0.207 30 10 ICEE CC(=O)N1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301706343 WKVDIGLAGLPIFO-VXPUYCOJSA-N 427.509 0.816 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 1309995673 WAHDNGQQDNRBJX-UHFFFAOYSA-N 435.506 0.439 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359302292 BKGDFZGPVPKNJQ-QFIPXVFZSA-N 425.537 0.867 30 10 ICEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1464404518 HOQHPTHXOIRJLO-UHFFFAOYSA-N 431.474 0.580 30 10 ICEE CN1CCn2c(CCNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)nnc2C1=O 1471670942 GKFDDQAMCFFJRJ-UHFFFAOYSA-N 425.468 0.950 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1504130343 DRQHTKBURKGFKI-NQIIRXRSSA-N 428.493 0.758 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)COCCO1 1510202072 WYMINWKDSQBNFP-BMGDILEWSA-N 426.543 0.824 30 10 ICEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554483117 BKQKDXJCRMBQNW-HNNXBMFYSA-N 432.492 0.853 30 10 ICEE C[C@@H](CC(=O)NCCS(=O)(=O)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1557453774 QTDNJWPHDSAZAM-VIFPVBQESA-N 427.426 0.555 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1558817258 KEMTUBRSVFZHCG-UHFFFAOYSA-N 426.516 0.279 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1595715632 ZRFZELSGQDBVEC-AEFFLSMTSA-N 429.525 0.955 30 10 ICEE C=CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nn1 1630445809 OGRAIIBYXCLIJN-VNQPRFMTSA-N 439.538 0.751 30 10 ICEE NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1645738019 UAQCUXSHJJEWPA-UHFFFAOYSA-N 441.893 0.582 30 10 ICEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690458913 LHKBLLHIBDMJRY-UHFFFAOYSA-N 426.525 0.962 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1690670038 WWIGODMJXUZEEJ-OAHLLOKOSA-N 428.472 0.392 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705558681 FAMAQJPSAPAEGU-IRXDYDNUSA-N 433.534 0.834 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1705739800 RRGGRGHAZXGZOG-UHFFFAOYSA-N 440.570 0.465 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1712454043 GUCYIGUDHCAWFM-INIZCTEOSA-N 426.543 0.574 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1712874759 BNYHEHIXWUPRLU-SCLBCKFNSA-N 433.469 0.802 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1722459274 HDJFURCHHJDJIR-HOTGVXAUSA-N 425.580 0.067 30 10 ICEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOC1 1729946709 GMBLYSDDCXHLGF-SIKLNZKXSA-N 440.504 0.964 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1740717409 RQVYJPJUCOLANI-MRXNPFEDSA-N 425.580 0.605 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740960494 TWGLNTZXFQBEEV-OAQYLSRUSA-N 431.541 0.983 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749086422 KVVFPKOYXYBAEF-IAQYHMDHSA-N 447.359 0.656 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749210135 CRPJEAGCZCWXPG-OAHLLOKOSA-N 429.481 0.469 30 10 ICEE CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1760585842 DQJFJNJXVCJNOB-KGLIPLIRSA-N 425.559 0.743 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cn(C3CCSCC3)nn2)C1=O 1854160663 KEKFRGLELYJHIE-DLBZAZTESA-N 432.550 0.806 30 10 ICEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)C1 1855028332 WEWUSOPVNYATEA-CQSZACIVSA-N 440.472 0.955 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4ncc(F)cn4)C3)CC2)CC1 1889322984 HCGYQMRUZAUBBQ-UHFFFAOYSA-N 430.528 0.310 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2255842497 SJSDNVVGYIAAOK-UHFFFAOYSA-N 433.318 0.807 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880976 WMTRGDBSJBGWIU-NRFANRHFSA-N 448.329 0.878 30 10 ICEE C=CCN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 208948727 WGWYGTZKKSKSIJ-OUFKLWKOSA-N 447.289 0.621 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 509010279 IGJRDBIZQHOMQD-HUUCEWRRSA-N 437.526 0.872 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C#N)cs2)c1=O 673984514 UPDNXJSMAYWVQZ-UHFFFAOYSA-N 426.523 0.803 30 10 ICEE Cc1[nH]nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 734621555 JZUFZHGHQZZDRM-UHFFFAOYSA-N 431.474 0.588 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC1CCS(=O)(=O)CC1 768741318 CYSNKQXOEBGFLX-UHFFFAOYSA-N 427.548 0.836 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)n1 788851586 ALQJBJHYGQASPL-UHFFFAOYSA-N 425.555 0.926 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCn2cnc(C#N)n2)C1=O 795176636 JSIGLKKPWUJRCZ-INIZCTEOSA-N 440.533 0.849 30 10 ICEE CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802634044 NQOAHYTUCFAHMY-HOCLYGCPSA-N 425.559 0.491 30 10 ICEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1197513955 HBUMRBRUBUTLPK-UHFFFAOYSA-N 428.468 0.837 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286386203 WJVROEJLFPPKHC-CBBWQLFWSA-N 429.568 0.171 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1286790138 OBTOCUPRFCYIAE-UHFFFAOYSA-N 433.538 0.407 30 10 ICEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1298101480 CPWZTPHYDBMYGI-UHFFFAOYSA-N 430.538 0.640 30 10 ICEE COC(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1299440658 UMFUNXDQHBMWSC-VDMFXUGISA-N 429.481 0.959 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CS(C)(=O)=O)c1 1300430196 JHIVORAINODTLE-AWEZNQCLSA-N 439.563 0.551 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300492861 PLJLYFRNLRIINJ-OAHLLOKOSA-N 426.564 0.750 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCOCC2)CC1 1300706058 HJERELWNIULSQI-UHFFFAOYSA-N 440.552 0.144 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301139749 VAVKBZVCIFEVRH-HOTGVXAUSA-N 434.541 0.751 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359121873 LYFDHJDOHXKJNA-OAHLLOKOSA-N 426.543 0.279 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359331609 DLQBOVQLAJHPJQ-XHSDSOJGSA-N 439.538 0.214 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 1456305304 IBLJXEAOTUJHES-UHFFFAOYSA-N 425.511 0.616 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1471718540 YVEXSKVPKHRLPL-WWTUQBGBSA-N 425.532 0.697 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 1475622048 ATMVBWBUCGOYID-UHFFFAOYSA-N 436.353 0.364 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1503831424 PJFBRVSPNVKMAX-GJZGRUSLSA-N 432.462 0.480 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1507644765 NJOVRIFGKZDURG-UHFFFAOYSA-N 438.517 0.445 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1 1508085665 VXVJDTQJHJCGDF-UHFFFAOYSA-N 436.520 0.911 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508092969 SRJAZTGNYUNCKP-OAHLLOKOSA-N 440.570 0.335 30 10 ICEE CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516497532 UKSFXNGEYZEZDU-QNDGZKIDSA-N 429.481 0.056 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 1539481765 OFBGNRYEZZLLSE-GOSISDBHSA-N 447.561 0.493 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1540877102 KRCUDBNGDZPNQO-WMZOPIPTSA-N 434.541 0.609 30 10 ICEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1555987413 GXBWYZVQUNQDJH-LSDHHAIUSA-N 429.431 0.913 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1561913084 KNEZKSYVZNKNGE-CYBMUJFWSA-N 439.481 0.903 30 10 ICEE C=CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1583031054 LVVZYEFCGSDUSW-KGLIPLIRSA-N 438.568 0.516 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1588035600 VTWGJZIPGKTJSP-INIZCTEOSA-N 437.547 0.170 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064993 QRWRMMLGUTYICN-GOSISDBHSA-N 444.561 0.663 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588075163 ZMVIVVWRXBBZOQ-NVXWUHKLSA-N 444.517 0.299 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1588185195 CSMDNBGEBRSDTE-QFIPXVFZSA-N 429.521 0.642 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1588385189 GBJXBSQITLTSIU-KBPBESRZSA-N 433.481 0.495 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 1588851793 HUTWDSZOUFQZFZ-IBGZPJMESA-N 436.578 0.677 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595536525 CKISAQFZKVOYKF-UHFFFAOYSA-N 429.569 0.982 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CCO1 1618692378 CQOMMFISONXCRZ-QGZVFWFLSA-N 425.493 0.636 30 10 ICEE COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619920771 HNKHFKKHJQQNJR-UHFFFAOYSA-N 427.513 0.287 30 10 ICEE COC(=O)[C@H]1CN(C)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1638206360 CMSGJBUGFUFOAN-DOTOQJQBSA-N 427.461 0.326 30 10 ICEE NC(=O)C1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)CC1 1644235027 SQXJRCAQIAQWGE-UHFFFAOYSA-N 431.436 0.195 30 10 ICEE CC(C)OCCS(=O)(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1644735949 DDADNGCJZUNIAW-UHFFFAOYSA-N 433.530 0.658 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 1669828988 NDKADTYPSXKZCD-UHFFFAOYSA-N 438.937 0.671 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNC(C)=O)CC1 1690137565 CUHQQSWYEDNDQT-QFIPXVFZSA-N 446.552 0.422 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 1690597233 NAZUAIVWXZBYJM-VQIMIIECSA-N 441.554 0.595 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)C1 1690710309 QKKFCMDCIUSZGO-MRXNPFEDSA-N 425.493 0.724 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705565739 JZEJXLRGNRGPAV-HZPDHXFCSA-N 447.517 0.318 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCOCC2)CC1 1705642554 XVPVPXFAADUNSZ-FQEVSTJZSA-N 426.569 0.616 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705662299 VPFMPBIRHJIFCN-JLTOFOAXSA-N 432.550 0.963 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705935856 FHYOIWLZPZUXTF-BRWVUGGUSA-N 426.539 0.767 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1722362455 AXOVFAVJTKKZIB-ZBFHGGJFSA-N 443.595 0.705 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722402646 DPHIMYSAXWEWMA-SFHVURJKSA-N 429.569 0.916 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1740655964 GXTUXPIGDKXPIA-KRWDZBQOSA-N 438.575 0.468 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)C1 1740972347 HDKOLURKSLJKHT-HUUCEWRRSA-N 442.586 0.974 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1748790673 KQQLQLCPHLXZCB-LPHOPBHVSA-N 439.607 0.458 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748817864 RSQCRBYWVUCTFY-HZPDHXFCSA-N 428.580 0.524 30 10 ICEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1751806171 ISCBGFCTNHLKMH-IRXDYDNUSA-N 433.538 0.894 30 10 ICEE CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1766746981 HBGZSRNQVWRGDX-MKTHODDLSA-N 442.549 0.591 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767920263 MULQPVDGEPNMDW-HNENSFHCSA-N 445.524 0.646 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1769131719 KZXUYGKTUUJHHD-SYLQMPFCSA-N 438.492 0.685 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)c1 1772790363 BLOCYDYINOWGNF-UHFFFAOYSA-N 438.439 0.123 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C1CNC1 2247951536 KBEAHBXDEYSTQO-UHFFFAOYSA-N 432.355 0.882 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCN1C(=O)OC(C)(C)C 2247953378 SKJIIRNDUJRFAL-UHFFFAOYSA-N 443.335 0.661 30 10 ICEE C#CCCN1CCC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286041439 VBPZYMZBANLPGA-QZTJIDSGSA-N 437.518 0.773 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 482890295 BAISSIVTVHOZJP-OAHLLOKOSA-N 426.520 0.151 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497581352 WMXGTXMJDFBKDD-OAHLLOKOSA-N 448.570 0.591 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497581577 YKXAEISYQPTQKO-AWEZNQCLSA-N 434.543 0.201 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)c1cc[nH]n1 772206467 FIJVFQKNPJSILE-HNNXBMFYSA-N 448.524 0.285 30 10 ICEE C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774176178 ASEBTYJAOMTKSI-ZBFHGGJFSA-N 427.548 0.830 30 10 ICEE C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 776594538 LVXNCGREOTXKJQ-DJKKODMXSA-N 430.574 0.772 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 782791813 JCROMVQGRLVICQ-UHFFFAOYSA-N 434.319 0.067 30 10 ICEE COC(=O)CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCS(=O)(=O)CC1 1116710155 ZUNTYFATXXNJDQ-HNNXBMFYSA-N 433.486 0.538 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]([C@H]2CCCO2)C1 1133978582 RIYVMOQASXGZIP-VNQPRFMTSA-N 435.502 0.684 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1155251887 UMQDLGZPECKYFQ-UHFFFAOYSA-N 427.454 0.835 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1286779655 JZGOKAHBVZEGCE-OAHLLOKOSA-N 447.565 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286816005 CAVUHORQWMAPOE-MRXNPFEDSA-N 438.598 0.757 30 10 ICEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1287218131 NENKFQWGKHQKMN-FQEVSTJZSA-N 445.549 0.544 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CCO1 1305773493 ZKQGZQMPIWRUBD-CQSZACIVSA-N 429.520 0.473 30 10 ICEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C2)nc1 1313273461 NBJBCSPGZQJKDR-IBGZPJMESA-N 449.515 0.972 30 10 ICEE CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1313770633 GOUQFHJBKPCWOZ-KIJUOZEOSA-N 445.524 0.948 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCS(=O)CC1 1316567667 PAMJHUPNPYBPQY-VLGSPTGOSA-N 427.490 0.435 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 1358890318 NTYGRUKAOIQBHW-ULQDDVLXSA-N 441.554 0.265 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358965648 YTVINFAGHLJTKD-MOPGFXCFSA-N 445.545 0.696 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1358979423 LZGRFDIUIQNMAJ-SFHVURJKSA-N 435.550 0.501 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cnnn2)CC1 1359042202 WOHNUNYILGCVTQ-UHFFFAOYSA-N 449.519 0.996 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359047331 BUBSHYHDBYPQAB-DOTOQJQBSA-N 435.550 0.530 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)NC(C)C 1359064752 ZDXYTBHTCDTBLV-WMLDXEAASA-N 446.599 0.208 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 1475622993 NOPYYEDDRGKPEA-UHFFFAOYSA-N 446.601 0.954 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1493168533 FPURYOWEHNQVBP-HNNXBMFYSA-N 443.533 0.519 30 10 ICEE CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1503836121 NIKKAANMHYNUMF-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507726654 JVXTVPQBRBWSCK-HXUWFJFHSA-N 442.612 0.182 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508141083 LDCUYBOXKHHMMH-BEFAXECRSA-N 425.555 0.735 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1539265130 CUMQPQICGOECGF-HNNXBMFYSA-N 449.562 0.086 30 10 ICEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1555686365 NDAKRWWQZKVNTC-QGZVFWFLSA-N 441.492 0.711 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588069158 IJMMEXFQURNWBD-QGZVFWFLSA-N 443.529 0.781 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1589215756 DILJRXHHPSPFNA-VQIMIIECSA-N 437.566 0.908 30 10 ICEE C#CC1(F)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1589646625 NYTPWZYUOCGNBH-LBPRGKRZSA-N 435.399 0.802 30 10 ICEE N#Cc1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c2sccc12 1612067327 RUDFIGTVHRYXSV-CYBMUJFWSA-N 426.545 0.807 30 10 ICEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1620079013 LVOOKJRQLJRJML-QGZVFWFLSA-N 440.508 0.485 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)n1 1639992449 YHGRTYPCFFOZRR-QGZVFWFLSA-N 433.509 0.569 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689992775 OSTJKUKVSWRUKE-WIYYLYMNSA-N 445.545 0.696 30 10 ICEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1690052669 OMOYGQVAFQQWRA-OAQYLSRUSA-N 426.546 0.799 30 10 ICEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690512423 XEUBJGFNAOYRLM-QGZVFWFLSA-N 432.525 0.650 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1693830424 DYIUPBDFWBDGDZ-PBHICJAKSA-N 439.476 0.942 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696499992 KAUUBCAGMBRHEU-IAGOWNOFSA-N 437.570 0.636 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1697922657 HMRZEQZVCOKHQX-KNQAVFIVSA-N 442.520 0.946 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1705843588 JIVAZKWODGJONS-AWEZNQCLSA-N 447.583 0.058 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)C1 1705929737 WTIXGFLDUCYAIV-CYBMUJFWSA-N 430.431 0.860 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365282 DMNILUXQPPXFBS-MSOLQXFVSA-N 449.577 0.811 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722372537 YSQMYKXNPQMFSG-HOTGVXAUSA-N 426.564 0.292 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722423990 XCNMYLPKCKSJQG-UHFFFAOYSA-N 448.545 0.979 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1722459275 HDJFURCHHJDJIR-HZPDHXFCSA-N 425.580 0.067 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722604224 WJQXELXELOZVFZ-HOTGVXAUSA-N 440.570 0.634 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1NC(=O)CC1(C)C 1722640915 UUXZESUPKKNQEI-ZIAGYGMSSA-N 426.543 0.148 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722857274 BTHINGRMACVFEQ-GOSISDBHSA-N 446.533 0.878 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1730585889 FGHWPYRRAIWUAH-SJORKVTESA-N 439.476 0.657 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740615782 LDEKZWCEKVEHGW-LBPRGKRZSA-N 435.472 0.881 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCOCC2)CC1 1740698265 CKCKHJCFCOLGRR-LJQANCHMSA-N 440.596 0.863 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2cc[nH]n2)CC1 1740706581 ZYBYDALXRZHDNO-UHFFFAOYSA-N 440.552 0.986 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)C 1743234789 NKLCPWPGTLOHMW-HZPDHXFCSA-N 439.524 0.637 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1749017020 SVPXPQFDOUKBNK-HXOBKFHXSA-N 438.532 0.770 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620807 ZPNDJRVEUDXUAI-HXUWFJFHSA-N 436.318 0.811 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)n1 546927520 PGRGXYRBJNYTFX-UHFFFAOYSA-N 449.519 0.314 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 551731476 VUAZTNMLNLYHDI-LBPRGKRZSA-N 437.435 0.449 30 10 ICEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 554269656 TXOGMPRTTSFBPA-CYBMUJFWSA-N 434.444 0.607 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCN1C1CC1 741095547 HKZPWRPIJFFQTO-OAHLLOKOSA-N 435.481 0.404 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1 744633326 KHGDFADXKPBSAQ-CQSZACIVSA-N 430.486 0.983 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 807109260 DUWLRMYFRJQHEP-KFWWJZLASA-N 444.558 0.315 30 10 ICEE CC(C)C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1134274844 BQYWGBNTXLKURF-QYRAFCHESA-N 433.530 0.749 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1136251329 YUCPRGSPTDNKCK-HNNXBMFYSA-N 437.371 0.940 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286392610 IUKMGDPTJWYTHW-GJYPPUQNSA-N 426.539 0.196 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291196059 DHCYHELCQTUVAC-DCOQFNDQSA-N 445.549 0.982 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300479334 LWRRLCDSUJXCLE-DLBZAZTESA-N 438.598 0.773 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300499816 XJMDORILUKGTBN-ROUUACIJSA-N 433.534 0.552 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2CC(=O)N2CCOCC2)n1 1300676645 RDUQLJMUIAQFOM-UHFFFAOYSA-N 429.525 0.743 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNS(C)(=O)=O)CC1 1300708605 WGAAVUDYWJEWKQ-UHFFFAOYSA-N 432.550 0.470 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCN(c3ncccn3)CC2)c1 1301167719 ZLSUKWADAINOKB-UHFFFAOYSA-N 432.481 0.465 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1301509214 CKASQCLIROEUSN-UHFFFAOYSA-N 439.520 0.735 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1302287490 WWRVXNPGWWIYSD-MPGHIAIKSA-N 445.517 0.505 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302494543 LBPWWYLHDXLCPB-KRWDZBQOSA-N 430.538 0.456 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358960652 IZNXRQYLPLSPEJ-BEFAXECRSA-N 435.575 0.778 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358963544 JZGIWMDEVWDUAP-OWCLPIDISA-N 435.550 0.323 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)[C@@H](C)CC)CC1 1359029039 MSOQFUKGURKLCR-YESZJQIVSA-N 426.587 0.705 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1359031371 ZOUMHPRQUBIIFX-NFBKMPQASA-N 446.596 0.532 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@H]2C)C1 1359321533 HRARGKALXYVLBL-KZNAEPCWSA-N 439.582 0.682 30 10 ICEE CN1C(=O)N[C@](C)(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1=O 1437140406 AGMHFTASSYNVAN-HXUWFJFHSA-N 441.469 0.761 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C(C)C)CC1 1475622130 DKQZSWWIAASWNS-UHFFFAOYSA-N 429.564 0.901 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505334757 DGXZIXQJGLVLHQ-LZICOFPGSA-N 427.509 0.849 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507564522 RLDOUKXQBJSOFR-ROUUACIJSA-N 449.577 0.811 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508077773 QTXRJRRMHHNDHO-UHFFFAOYSA-N 443.533 0.591 30 10 ICEE CS(=O)(=O)CCOCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1519529709 LWUPJFCSNMBAOW-HNNXBMFYSA-N 425.536 0.720 30 10 ICEE O=C1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1521479347 XIYWVUHBJLHUKC-VXPUYCOJSA-N 436.476 0.117 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539222835 XIOYEAHHTFUBKG-GUDVDZBRSA-N 449.577 0.667 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539446390 XWRIJHMXYWHRQU-IBGZPJMESA-N 435.532 0.782 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCOCCS(N)(=O)=O)C1 1568754973 GOOQFLNSKCWMAP-UHFFFAOYSA-N 431.312 0.178 30 10 ICEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1584108338 FTUATNHTTSASAB-KRWDZBQOSA-N 435.889 0.981 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1585295810 GUZSSVVEPFSDPM-OSCRUYLVSA-N 428.445 0.667 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588053111 BATZKNHSZKGYHM-DLBZAZTESA-N 435.550 0.673 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCN1CCCC1 1611711533 PQUIZLJXAOWCOO-DLBZAZTESA-N 439.586 0.883 30 10 ICEE COCCOC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1620036907 YIFVJFJLCSFAAM-KRWDZBQOSA-N 448.524 0.341 30 10 ICEE O=C(Cn1nc(Br)c(Br)n1)NCCN/C(O)=C1\N=CC=CC1=O 1627264339 CZXHSBDKQGUWAY-FMIVXFBMSA-N 448.075 0.446 30 10 ICEE CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](C#N)CO 1636605678 ZJYLJMKZCSFZAN-DGCLKSJQSA-N 436.353 0.850 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nnc(CCOC)o3)c2)CC1 1643372605 TURWXQISQFDTLB-UHFFFAOYSA-N 433.490 0.151 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)CC1 1644285122 ITOBNIXMGTZBLI-UHFFFAOYSA-N 437.518 0.633 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@H]32)CC1 1644285133 JBKMRCWCNYXXOW-BRWVUGGUSA-N 438.347 0.947 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1663864513 WYHLUEVZQNBQNQ-UHFFFAOYSA-N 436.437 0.351 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1689826544 PVHHUACDRVZWQT-ZIAGYGMSSA-N 431.584 0.704 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1690672986 KEOITPRRZXTPKH-UHFFFAOYSA-N 427.509 0.298 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1705598685 OUEIKPNVLQOTQQ-YLJYHZDGSA-N 437.566 0.481 30 10 ICEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705654312 DAGZLDDCCALCDJ-KRWDZBQOSA-N 435.513 0.330 30 10 ICEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712164641 NBFWHAFAVBQDBP-CABCVRRESA-N 445.503 0.778 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722363984 DGPBDAFNSJRLIR-ZWKOTPCHSA-N 433.534 0.552 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1722383037 FNIFVCHLEJPQQJ-RBUKOAKNSA-N 448.593 0.416 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722554137 GFMGZPJHEQVBBQ-HNNXBMFYSA-N 435.960 0.942 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722692876 ZLIMUALSBLXCIN-SJORKVTESA-N 433.557 0.266 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722703761 GXTJUDFTOZEHNW-JOCHJYFZSA-N 448.568 0.973 30 10 ICEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1722703792 IBIDKZHKGXLREX-ZYHUDNBSSA-N 444.468 0.711 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1740640068 ICLPHLFLOCXPMQ-INIZCTEOSA-N 448.574 0.751 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO 1740656621 MBJZMYSYMZPODM-RTBURBONSA-N 433.578 0.490 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1740991906 HZMUSHJITNYRIN-CRAIPNDOSA-N 441.579 0.911 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1748640859 XOUPLDKPJTVEJX-GJZGRUSLSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748817718 OZIIMCOQTRXUDQ-FZKCQIBNSA-N 426.564 0.463 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1749549552 VZNPBICJICJOQP-CRAIPNDOSA-N 448.549 0.996 30 10 ICEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)F)cc1 1750383065 OKKCIWHBVPZFRI-FQEVSTJZSA-N 429.431 0.914 30 10 ICEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760306403 CTWYUVQTUUTNHM-UHFFFAOYSA-N 436.318 0.790 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC)c(F)c3)C2)CC1=O 1856803772 NTTOOCKOHHTNFE-QWHCGFSZSA-N 428.438 0.717 30 10 ICEE Cc1c(S(=O)(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)c(=O)n(C)c(=O)n1C 1892094898 GPVXXWAARBKJFK-UHFFFAOYSA-N 446.533 0.196 30 10 ICEE COc1cc(C)nc(N/C(O)=N/S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 39303874 HDWOTGUSDWYCRV-UHFFFAOYSA-N 429.480 0.759 30 10 ICEE Cn1cc(C#N)cc1C(=O)NCCN(CCN1CCOCC1)C(=O)c1cc(C#N)cn1C 463354781 MFKSVCCRVGTAEH-UHFFFAOYSA-N 437.504 0.311 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481984093 UNNKCIYETNPCPC-CQSZACIVSA-N 444.538 0.288 30 10 ICEE C=CCN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 504589023 WGWYGTZKKSKSIJ-DKEWWPDHSA-N 447.289 0.621 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 566707754 XKMQPEOUGRXBRK-ZIAGYGMSSA-N 435.572 0.056 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 583720862 CNCCCHLUCWAVTA-CVEARBPZSA-N 440.570 0.490 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4nn(C)cc4C#N)CC3)C2=O)n(C)n1 611557471 JXQSRQFFKUNUJS-MRXNPFEDSA-N 425.497 0.679 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 728590221 XSVGVGIUVHTUFW-UHFFFAOYSA-N 430.324 0.513 30 10 ICEE C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)n1cncn1 732706759 OCXWYRUXXXPNGE-KBXCAEBGSA-N 436.476 0.615 30 10 ICEE COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771581867 GBHRSRDEIQVGFA-QKKBWIMNSA-N 430.461 0.632 30 10 ICEE O=C(N[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOC1)OCc1ccccc1 780940979 SNZNBABLYOWNGM-OGLOHFSISA-N 428.445 0.715 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 782996299 GYUPENNEDAXYOI-UHFFFAOYSA-N 437.565 0.169 30 10 ICEE CC#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 810776667 CPNROKNAYBECPG-ZSXPZZPQSA-N 438.505 0.935 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)CC2)cc1 1141413650 CFTOFEZGAMECHY-CABCVRRESA-N 444.435 0.706 30 10 ICEE CN1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1298893136 OABBTGHDRIYUMT-QURGRASLSA-N 449.515 0.868 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cc[nH]n1 1300286562 KPFQQMPTCNKJQZ-AWEZNQCLSA-N 431.464 0.532 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1300412118 YCMRSTVAZBESDW-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1300429789 CJERMTMUHSQNPU-CQSZACIVSA-N 436.513 0.835 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300479294 KTXIXQKYXZYHGA-ROUUACIJSA-N 448.593 0.625 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1300537908 LKYBMOQAMAWFNS-SQNIBIBYSA-N 435.550 0.499 30 10 ICEE N#Cc1csc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 1304187212 LVMYRYIROQEHRQ-UHFFFAOYSA-N 447.542 0.944 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2(n3cnnn3)CCOCC2)c1 1351601767 MQZLNQASBDGPAV-UHFFFAOYSA-N 438.488 0.442 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1358955035 CMRPWIGBDSSZOT-MRXNPFEDSA-N 433.538 0.248 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359040051 GHKXONSCSHOZMO-SJLPKXTDSA-N 430.553 0.933 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 1470194682 YEOWVMUCIOMRSS-JKSUJKDBSA-N 433.534 0.148 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1507700387 RCBBHJAYUQWUGU-AWEZNQCLSA-N 446.512 0.844 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508088325 AGGNOLZAFMWYJQ-UHFFFAOYSA-N 426.525 0.599 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1512366775 DPTHJTKVLLXPRQ-NHWLHPCLSA-N 443.508 0.654 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539481830 ONLCSDPIKRVDQX-IRXDYDNUSA-N 428.537 0.663 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539517159 JIOWGWARBGDVHV-SJORKVTESA-N 432.594 0.938 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1540200674 GXUULHMDERLHJQ-IAGOWNOFSA-N 427.571 0.540 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)c1 1540582982 DCDBTONHMUOXHK-QGZVFWFLSA-N 440.891 0.929 30 10 ICEE CS(=O)(=O)NC(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1567528884 NBBKRVHSBHOKOJ-UHFFFAOYSA-N 429.296 0.339 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588050101 PAMAAXCPEYQVTK-HOTGVXAUSA-N 436.582 0.444 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1594813626 VIVJJBIYJCBOLP-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595467454 UWXABUVTGMSAJJ-INIZCTEOSA-N 431.541 0.701 30 10 ICEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1611550231 HBSLRLPMRYGIMS-BZUAXINKSA-N 438.540 0.556 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCS(=O)(=O)N3CCCC3)C2=O)cc1 1617739722 LRVXXAGUUCMHCS-INIZCTEOSA-N 433.490 0.305 30 10 ICEE C#CC1(O)CN(CC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)C1 1656397432 YQBGVVUDCNTWIS-UHFFFAOYSA-N 425.489 0.544 30 10 ICEE CC(C)(C)OC(=O)NCCN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)CO 1659117325 VOGJQOPCUROMPD-INIZCTEOSA-N 431.489 0.466 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1689979393 AEQIKDLABVIKTG-ZNMIVQPWSA-N 436.538 0.407 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689995860 BFTBHHPUVVMQPF-ROUUACIJSA-N 448.593 0.512 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1690104686 FJMFLGOZMVIMDM-GOSISDBHSA-N 432.550 0.774 30 10 ICEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1695537308 GKAINTDNORQBJM-WIYYLYMNSA-N 444.561 0.897 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722359438 MPMRYVKQVGOWAI-MJGOQNOKSA-N 446.529 0.996 30 10 ICEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722525607 JUICNOFCPYMSBM-UHFFFAOYSA-N 439.520 0.347 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722532631 RTOQYDRZTDBKPY-SJLPKXTDSA-N 445.568 0.611 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1722671983 HHBRBRDIRUIBEE-QAPCUYQASA-N 443.595 0.657 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1722726673 AOLYZOCWMPFEOC-CRAIPNDOSA-N 444.579 0.398 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1730946059 JMOLDISRSCLALA-RLFYNMQTSA-N 442.517 0.480 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740700840 KHMSDMSWCXWODL-AOMKIAJQSA-N 444.536 0.020 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740788865 YMKRPZIZHMGPMO-BFHYXJOUSA-N 429.499 0.595 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1748891717 DWFFYILIBAZFRQ-ZWKOTPCHSA-N 449.577 0.889 30 10 ICEE CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1749205081 DCSSTTYNMHLGRU-TUFQLDHTSA-N 443.508 0.617 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1760232800 DRCLBHFFZPDUFY-WMZOPIPTSA-N 436.582 0.555 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760351496 HWLYNDPPJRHYQF-GJZGRUSLSA-N 428.559 0.538 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760449728 SMXHHWINDWXBNO-AWEZNQCLSA-N 431.497 0.343 30 10 ICEE Cc1cccc(CCCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856829711 GSFVSAXOZGPJAR-LJQANCHMSA-N 432.546 0.916 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)O)c(C(=O)OCC)c1C 1860761487 VRVJBMWFSKWZCX-MWLCHTKSSA-N 442.446 0.465 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(C)CCO)nc1C 1872678560 BMVPYVVYKUMBQE-UHFFFAOYSA-N 425.423 0.259 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267875184 DXLKXKVZCLXEGB-CQSZACIVSA-N 448.329 0.830 30 10 ICEE CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1CC(=O)NCc1ccco1 254832900 UOAWINFZDMNICQ-UHFFFAOYSA-N 437.477 0.863 30 10 ICEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468269678 ZTPXRVZZFIDIQH-HXUWFJFHSA-N 430.486 0.004 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(N2CCOCC2)n1 477395370 BTKMGVCVIULSJQ-OAHLLOKOSA-N 429.502 0.773 30 10 ICEE C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCS(=O)(=O)C1 729332197 VHTJCGVRROCFGC-SNVBAGLBSA-N 435.321 0.359 30 10 ICEE N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1C1CC1 732914169 MJMVRIXIBRJAQQ-MJGOQNOKSA-N 440.552 0.664 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 733149696 OWLONMKKKXHUGF-HNNXBMFYSA-N 431.449 0.076 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 767625921 FMPDYMNNZZPKBU-QGTPRVQTSA-N 435.502 0.938 30 10 ICEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 773299264 WRKTWSFTLPRMNI-CQSZACIVSA-N 432.593 0.591 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802564672 IJAPKAAHLVXUOU-INIZCTEOSA-N 428.559 0.651 30 10 ICEE C#CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C(=O)OC 1141995466 QPADVTCEWTVRSY-GJZGRUSLSA-N 428.894 0.554 30 10 ICEE C#CCN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1147283748 QZJRIEAHGDSZQG-AEFFLSMTSA-N 425.938 0.631 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286706730 SPPRKAAYXVALNZ-JTDSTZFVSA-N 443.570 0.865 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1297739586 KGARKSFTAIAJIO-CVEARBPZSA-N 426.543 0.572 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)CC1 1300700206 MZBNQVSSNMYLRQ-QGZVFWFLSA-N 425.555 0.336 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)CC1 1300725072 FULFUQYEYYQVQM-SJORKVTESA-N 435.550 0.325 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCS(=O)(=O)N2)c1 1441740845 WBADNBGKJFPDHE-MPUISCFQSA-N 428.536 0.910 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)c1C#N 1447785181 PDCMURAHYQDXLU-UHFFFAOYSA-N 437.435 0.750 30 10 ICEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(S(=O)(=O)N3CCNC(=O)C3)c1)C2 1456735489 NIYKJFVIEBLKMX-UHFFFAOYSA-N 445.526 0.521 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)ccc2c1=O 1472581272 AHNHOFYEMYARHW-IBGZPJMESA-N 435.527 0.901 30 10 ICEE COCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504698650 INCMWMHPRGNYPC-UDJKBAMHSA-N 443.508 0.618 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505143164 BZEKTPDRMHICBD-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1507626429 AGOOLFBPSMSLSB-QGZVFWFLSA-N 434.566 0.489 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507636585 BAHVWLTWVJECLU-IIDMSEBBSA-N 426.564 0.624 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507726585 BWNXZSIEVVKLES-FQEVSTJZSA-N 427.597 0.929 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539205766 KJPXKMFWYKKKGJ-JXFKEZNVSA-N 440.566 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540907915 MJVYUBIEIGUNQM-RDTXWAMCSA-N 425.511 0.761 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 1565963634 UTDGJRVABDXXLM-SFHVURJKSA-N 433.530 0.147 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1589053883 XCYDHTFBYFZAOI-UHFFFAOYSA-N 431.522 0.834 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1595467761 YXLXGPBXQCYHRY-UHFFFAOYSA-N 440.430 0.954 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1595569414 HFHIBECLFRAFQE-INIZCTEOSA-N 431.541 0.445 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CCO1 1596674006 HPDFLAQYWWFOLT-SFHVURJKSA-N 428.493 0.841 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1598075051 MSGCOTQECDXCHV-KBXCAEBGSA-N 426.518 0.784 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 1636480348 NTIDLRZCNSEAGW-UHFFFAOYSA-N 434.518 0.342 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2csnc2-c2ccccc2)CC1 1665751611 YXZGATPNWSNDBW-UHFFFAOYSA-N 426.545 0.584 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C1 1698310820 BFHQZGPNWSBVKC-QGZVFWFLSA-N 446.533 0.847 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC)CC1 1705640553 WIWJXFGFFLXHOK-UHFFFAOYSA-N 438.504 0.452 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1722364384 GGFJUSSWYFWPBJ-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1722551179 YKPFXAYDZMJTMK-UHFFFAOYSA-N 435.916 0.969 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1740610299 WNYKDWNOEUVIOJ-OAHLLOKOSA-N 437.547 0.206 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1740623584 WYUAIOYBIPKVIW-SJORKVTESA-N 436.582 0.588 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748803051 UUGJRHOPRWOTGV-OXJNMPFZSA-N 437.566 0.548 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748803055 UUGJRHOPRWOTGV-OXQOHEQNSA-N 437.566 0.548 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749128801 ZVGSNAYGISYRMX-FXAWDEMLSA-N 440.552 0.927 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749664668 WIXSPBZGIAWCCI-SFHVURJKSA-N 438.536 0.385 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@H]1C1CC1 1760174170 DWOMLLVTUZIVPT-ZWOKBUDYSA-N 437.566 0.886 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1858327098 OAUSZBVRUGWTHR-OAHLLOKOSA-N 446.510 0.794 30 10 ICEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1962821816 BJDNTAFXCOXKEV-MSOLQXFVSA-N 427.505 0.958 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248475686 DSACELCTBAWVKA-CQSZACIVSA-N 442.343 0.772 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)(C(=O)OCC)CC1 508999373 PKMJENNGVISYHF-AWEZNQCLSA-N 429.543 0.870 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 533216096 UAJKHWGKBQUWEP-UHFFFAOYSA-N 429.565 0.259 30 10 ICEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 603797801 GWSHPPOSGOUJQD-MRXNPFEDSA-N 425.510 0.879 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCO2)C1 619862592 BVNMUBXNUUDRTJ-RVKKMQEKSA-N 442.517 0.622 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732663717 CZYXQFKPKQYGNE-OALUTQOASA-N 448.545 0.915 30 10 ICEE CN[C@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)[C@H](OC(C)=O)[C@H](C)CC=O)C(C)C 1083140865 VISBGPYNPJUPAI-RACLHMPKSA-N 441.569 0.944 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1130627448 YFSNSEPEVQSUEP-UHFFFAOYSA-N 425.507 0.463 30 10 ICEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCOCC1 1133710169 UCNIBILDBSWFER-UHFFFAOYSA-N 433.530 0.842 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1176084343 XIYPRGKYBLTVIT-UHFFFAOYSA-N 432.546 0.544 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1286388124 YMJFQFMZQOCBPG-MRXNPFEDSA-N 443.529 0.883 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286783766 KZJWQFOCOLZCOM-HOTGVXAUSA-N 440.504 0.979 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300761724 DZHPJKNVZJSCKW-MRXNPFEDSA-N 441.561 0.969 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(CC(=O)N(C)C)CC(F)(F)F 1307582258 DPJMAGFBJBUVJO-CYBMUJFWSA-N 427.431 0.338 30 10 ICEE CS(=O)(=O)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1316344897 GAZZQMBSPCVTEZ-MRXNPFEDSA-N 429.506 0.680 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1359150854 HXXMEJPKKKNNLJ-STQMWFEESA-N 433.918 0.363 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359299724 MDHFYKODYHMNFH-SFHVURJKSA-N 446.552 0.550 30 10 ICEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1360728130 HOTYOZUSUQXROB-GLJUWKHASA-N 437.547 0.878 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)c1 1453685410 HFCCQBCCJNHICQ-HXUWFJFHSA-N 437.518 0.241 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1464465285 DSFHZMRAFHPJMZ-UHFFFAOYSA-N 439.538 0.733 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1504888650 XEFDXZVCGVSGOT-GJZGRUSLSA-N 438.554 0.461 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1507631847 GRUCLFXHRCELRM-DOTOQJQBSA-N 429.502 0.610 30 10 ICEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508168781 YOMQWNRFPVYPPO-MRXNPFEDSA-N 444.565 0.206 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1540871950 YIFUFILOKMHFGF-OAHLLOKOSA-N 447.517 0.848 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1542894894 QOQCDXOEJNBAAY-FDDCHVKYSA-N 448.564 0.544 30 10 ICEE NC(=O)C[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1556005290 VHAQYNDOSNNPHR-CVTQAYBASA-N 427.509 0.849 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1cncc(C#N)c1 1558449944 NYZGJGZTPGBTGA-KRWDZBQOSA-N 430.486 0.811 30 10 ICEE CN(C)CC#CCNC(=O)NC[C@H](O)COc1ccc(I)cc1 1565496666 NTRBZUJTNGKEIP-AWEZNQCLSA-N 431.274 0.895 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC(=O)N(C)C)CC1 1588885067 RZBPABISLMFIMB-UHFFFAOYSA-N 431.541 0.251 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)S(=O)(=O)CC)CC1 1594014725 VGYQTZBDPHAKIS-HNNXBMFYSA-N 448.615 0.716 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)F 1611706574 ATCAYXHXGNPIQP-TZMCWYRMSA-N 447.512 0.694 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1619548679 UOKLROKNTDEBOL-RBUKOAKNSA-N 440.504 0.652 30 10 ICEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1634656810 YSPLCTRRPVVXDC-RLFYNMQTSA-N 440.547 0.323 30 10 ICEE C#CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788242 ORPMWOSABJYTDJ-UHFFFAOYSA-N 442.582 0.425 30 10 ICEE N#C[C@]12CN(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1660447078 IEUIHPJHCCASER-GHTZIAJQSA-N 436.578 0.498 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn([C@@H](CCC)C(=O)OCC)n2)CC1 1679058303 NVNGUCOKROEMIH-HNNXBMFYSA-N 440.526 0.405 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689978496 WSAQEYJYPWSCDO-MRXNPFEDSA-N 437.566 0.860 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1689988198 KTXFJMKFFDAFIG-LSDHHAIUSA-N 446.533 0.763 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)CC1 1690136726 IULUBRKBBDFIIQ-AWEZNQCLSA-N 440.570 0.279 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1690671119 PEJYCFCXIAEWPJ-INIZCTEOSA-N 425.555 0.471 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1690724320 MBAUZGKTYUEPRF-OAHLLOKOSA-N 442.567 0.151 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(=O)NCc2ccco2)cc1 1698489281 RKADREFRTVQUJY-UHFFFAOYSA-N 449.471 0.964 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1705494473 AEMDJYXZJBAQQI-YJBOKZPZSA-N 443.533 0.765 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nnc(C)s1 1705551290 KUVAPBBFYPGJDS-CQSZACIVSA-N 439.567 0.473 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1706870745 HXDIDDGORSUPSW-SUNYJGFJSA-N 436.517 0.789 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1C 1712442739 HMCNRPJYNPDPIG-QGZVFWFLSA-N 435.492 0.931 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722333219 UBKSGPHLCRRVHW-ZACQAIPSSA-N 425.555 0.886 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1722628954 DGUBVPMNFKDDJZ-KRWDZBQOSA-N 438.554 0.944 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)n1 1726087773 UMUODVOIROLPQK-UHFFFAOYSA-N 435.492 0.763 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@]2(CCOC2)O1 1726666194 HDMMXXMASBDADF-QRWLVFNGSA-N 446.533 0.750 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729768373 MWKJRFZXYVDYDP-WMQDPJMESA-N 425.449 0.799 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740617005 KEUQPSZEXSLHCT-FCEWJHQRSA-N 444.529 0.541 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740620892 SNCFSPUFOATNIO-MRXNPFEDSA-N 436.559 0.925 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740716468 YNVNVVQKPUZPNI-MRXNPFEDSA-N 442.549 0.812 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740964304 AWUJNKQQYPKFCB-JOCHJYFZSA-N 448.568 0.973 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1749600449 YZKZGWXMLKDHDC-GJZGRUSLSA-N 432.568 0.254 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1749665752 BPUUECCZAPTOTM-UHFFFAOYSA-N 426.525 0.209 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1750845032 IBKBLTSIJYTVCS-MSOLQXFVSA-N 431.541 0.600 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1760097199 BKDXJJXVRURQRZ-HUUCEWRRSA-N 434.570 0.907 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760188180 NBCVLLDHDFYNOM-QOIOWGMHSA-N 437.566 0.653 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(=O)(=O)CC 1764919259 GKUAJWVDMAPRGT-CQSZACIVSA-N 433.542 0.157 30 10 ICEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1770801470 DOGHMWWWJWZEIC-CVEARBPZSA-N 429.456 0.927 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)c1 1771343488 AJUGNDILEUXIBM-MRXNPFEDSA-N 444.517 0.604 30 10 ICEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC3(CC2)OCCO3)n1 1871507758 WUTZQLHAWGUXKY-UHFFFAOYSA-N 447.521 0.626 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)n1 2247903673 IIOVSYVFKRQAJL-UHFFFAOYSA-N 434.327 0.396 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 460542269 JBQPABFGCFOTOA-CQSZACIVSA-N 428.559 0.538 30 10 ICEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 471602435 OFDBNDKFCFWKQN-UHFFFAOYSA-N 429.458 0.374 30 10 ICEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 480933100 MXOCMFFNYFFKRZ-CYBMUJFWSA-N 431.539 0.941 30 10 ICEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 483525877 CATCPQXCKNGRCC-INIZCTEOSA-N 449.533 0.381 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(C#N)nc3)C2)CC1 748376192 OLLBWQRHVBPBMZ-UHFFFAOYSA-N 435.506 0.660 30 10 ICEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC1 756142164 ITKITGHNPWRMDN-AWEZNQCLSA-N 425.511 0.731 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 763886046 XUCVNAFATLLIBJ-UHFFFAOYSA-N 445.563 0.713 30 10 ICEE C#CCN(C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 774197578 RDCMMHDMYCQASR-LJQANCHMSA-N 432.546 0.687 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 917925788 NZTAJGGYEUULPV-NSHDSACASA-N 425.937 0.555 30 10 ICEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)nn1 1129930874 VGGWCRJFQJPXHH-UHFFFAOYSA-N 448.549 0.729 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)C1=O 1134603139 VNTMPYFHCNMBEH-UHFFFAOYSA-N 432.437 0.590 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC)[C@@H]2c2cccc(C)c2)CC1 1152973737 MZJPYOWROGPFTG-UYAOXDASSA-N 432.546 0.516 30 10 ICEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)C2)c(F)c1 1154231381 GAGZHVHVDMQKMU-OAHLLOKOSA-N 432.481 0.780 30 10 ICEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(F)(F)CO)CC2)CC1 1171648827 VLDSTHFSIPWXGF-INIZCTEOSA-N 427.521 0.702 30 10 ICEE C#CCN1CCC[C@H](NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1248619826 GOEXMPKUQYQHCM-DLBZAZTESA-N 442.582 0.807 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286785225 HSWFEVUWTYMFJZ-JKSUJKDBSA-N 444.540 0.348 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1286966727 BEQBHVLBMYSERF-OAGGEKHMSA-N 426.543 0.633 30 10 ICEE C#CC[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(=O)OC 1299179324 XLRHKMRBDHCRFH-LLVKDONJSA-N 425.186 0.562 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1300716862 TUURGNYAQTUARC-UHFFFAOYSA-N 444.580 0.822 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300813775 QPZQFECROITVBF-OXQOHEQNSA-N 434.566 0.674 30 10 ICEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1308068731 QHAZEXJGUXBLNP-QGZVFWFLSA-N 435.546 0.882 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCOC(F)F)cc1 1316531930 VFUSRJDMMPJUPZ-OAHLLOKOSA-N 445.430 0.593 30 10 ICEE Cn1cc([C@@H]2C[S@](=O)CCN2CC#CCN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cn1 1322922610 LWVKYGUVIGDGJC-YWZBFRKASA-N 448.618 0.068 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1358963751 NPVZCDBRRBTRIN-SJORKVTESA-N 433.538 0.481 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C(C)=O)CC1 1358983970 DCDKOLMPMYCVSJ-PMACEKPBSA-N 428.537 0.239 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1359332836 ICYNHOGLHBXJTH-INIZCTEOSA-N 446.595 0.644 30 10 ICEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1471129189 XGFATCSXWRMIQW-ZVDOUQERSA-N 432.546 0.776 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1503103160 GRVBGGLQDXRPQD-HRAATJIYSA-N 427.509 0.948 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1503832955 AMZSJICKVFXRAZ-HUUCEWRRSA-N 432.462 0.480 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1508084979 RNNVXUVTBFYKMF-LJQANCHMSA-N 436.520 0.976 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1C[C@H]1CF 1510194276 NUZMDVIDEKINLH-ZIBATOQPSA-N 435.485 0.954 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C1 1510290098 GGKQCMAHDOZZLV-GPMSIDNRSA-N 438.554 0.778 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1540867347 SHFYCJIKLKZTAF-UHFFFAOYSA-N 428.493 0.727 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540871424 LLBWBJTWUPJEFY-CQSZACIVSA-N 444.458 0.979 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1543558641 VPKDDDFGTISXCI-LBPRGKRZSA-N 425.898 0.171 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CC2)N(C)C)CC1 1588876551 CMHCIJQFAWEHIA-LJQANCHMSA-N 441.580 0.820 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)SC)CC1 1588929983 KMHJPWVWZICXOS-GDBMZVCRSA-N 439.607 0.898 30 10 ICEE N#Cc1ccc(OCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Br 1625750969 HQNXSALPTRNASS-NSHDSACASA-N 431.312 0.731 30 10 ICEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 1655214240 GDWSNAOJEFRSHE-PGRDOPGGSA-N 438.569 0.738 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1=O 1656732191 IGOYGQPVHLJTLC-UHFFFAOYSA-N 449.870 0.011 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 1674912928 LTDTYEFFJANQOB-HNNXBMFYSA-N 448.549 0.826 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988775 WDYDJGCIWXFNNO-CVEARBPZSA-N 445.549 0.667 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)CC1 1690124916 WWNDSUNITMQMIG-INIZCTEOSA-N 434.591 0.943 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1690464528 DLZWKGPWUFAIFI-INIZCTEOSA-N 440.570 0.669 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690666773 GDKUJOVBJWTMGW-UHFFFAOYSA-N 439.520 0.421 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690671190 QQMWOSHKKQFQMC-MSOLQXFVSA-N 445.568 0.217 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1=O 1698085094 GLUAVVUUSPRJRA-IBGZPJMESA-N 440.504 0.917 30 10 ICEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705518821 RXFRYMUYNAQMIX-GOSISDBHSA-N 436.516 0.828 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705571895 KKHDDBKFNQFHML-NVXWUHKLSA-N 447.517 0.666 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705899897 KASXWYFJRYVLQM-HNNXBMFYSA-N 433.538 0.408 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705937851 GSCARKFZMYFHKI-IRXDYDNUSA-N 447.565 0.455 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1740622689 GVQAVLRKUAKRCL-HNNXBMFYSA-N 436.563 0.477 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749664187 YCUIFFHCIMLCFG-OAHLLOKOSA-N 446.537 0.042 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=O)NCC=C)c1 1760127571 DMIGMSDMSNVXMI-UHFFFAOYSA-N 449.515 0.759 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC)c1 1760129147 ZDPOSJCZCNGPQJ-INIZCTEOSA-N 431.518 0.883 30 10 ICEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCS(=O)(=O)C1 1760179824 NACWIGKVIFLTBV-HXUWFJFHSA-N 434.518 0.875 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1760219400 CZMTXPQAENMYGU-LJQANCHMSA-N 439.541 0.985 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760273233 MEMVJQKLCJYMNG-SJLPKXTDSA-N 449.577 0.920 30 10 ICEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760509288 PXYMOTMKNDWVBG-UHFFFAOYSA-N 426.525 0.805 30 10 ICEE Cn1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652717 YMSZMIIESCOCJU-ZIAGYGMSSA-N 436.318 0.741 30 10 ICEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2269047642 WCJQPHCVKRCKFS-ZFWWWQNUSA-N 444.297 0.903 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 105283406 ACGJFFHGRYFDOH-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)cc1 426987815 WAJVAUYFTIMITG-UHFFFAOYSA-N 445.483 1.494 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 438260077 OGJBJENCRCXFCW-INIZCTEOSA-N 430.505 0.503 30 10 ICEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 478740646 ABRLMQXAOQCLNT-DOTOQJQBSA-N 425.510 0.983 30 10 ICEE Nc1ncnc2c1nc(N/N=C/c1ccc3ccccc3n1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 504687146 AAMFNUBZOVLAEY-LLSZQDDSSA-N 436.432 0.014 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 781654640 UYTXDFANCMJHRJ-UHFFFAOYSA-N 444.557 0.996 30 10 ICEE C[C@H](CC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 803573657 NGPTVBAOQXHRIK-KGLIPLIRSA-N 442.563 0.434 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 810161891 VNLLCESJGYQNKV-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC)[C@H]2c2cccc(C)c2)CC1 1152973735 MZJPYOWROGPFTG-ICSRJNTNSA-N 432.546 0.516 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1176084314 WTXKOQINZVDUHB-UHFFFAOYSA-N 432.546 0.544 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1208474051 OEGAGBKCGLKXGK-CQSZACIVSA-N 428.532 0.735 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCOCC1 1286370797 SDXYXANWUUOHTQ-UHFFFAOYSA-N 445.549 0.590 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1286396538 WCASAOOBSOGFDO-DLBZAZTESA-N 435.550 0.673 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1286788343 UYNHZQVLOJZBQD-MRXNPFEDSA-N 438.598 0.793 30 10 ICEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1288233119 CAQSMSWTVVGMLD-HNNXBMFYSA-N 445.549 0.811 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1298197973 DMFVQUJDASTOQH-UHFFFAOYSA-N 437.504 0.638 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1300577801 BWKUOVBQMVAVFV-SFHVURJKSA-N 430.534 0.534 30 10 ICEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301056011 YALKMISULDQAJZ-UHFFFAOYSA-N 426.905 0.075 30 10 ICEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1302207166 VDVYRFRYBGNPHF-HZPDHXFCSA-N 427.527 0.352 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCOC1 1303863136 MPRBVSDCRCVGGS-PBHICJAKSA-N 435.554 0.412 30 10 ICEE CN1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1314926046 DJSJVIPRWGUPMF-CZIZESTLSA-N 439.451 0.889 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CO)CC1 1316567433 LYGFWNAAQBYOEO-IGGDJGDASA-N 430.509 0.907 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507957069 CUECXAOWSVYQLO-IHRRRGAJSA-N 429.499 0.595 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539216089 NNLMYTXIUGXRFR-KRWDZBQOSA-N 441.517 0.757 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539216477 SNVROGPPVPNWLU-IAGOWNOFSA-N 445.549 0.083 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(CCn4cccn4)n3)CC2)cc1 1543121000 FMLSOKFVOMLDAH-UHFFFAOYSA-N 439.501 0.798 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1588035918 ZLCMWHILHBQLTD-CVEARBPZSA-N 437.522 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588913195 BNPXEXYWTLGAPK-OPAMFIHVSA-N 426.521 0.789 30 10 ICEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1611550236 HBSLRLPMRYGIMS-OAGGEKHMSA-N 438.540 0.556 30 10 ICEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1619083191 CYAOIKCXYXKLSW-CABCVRRESA-N 442.476 0.978 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1620169669 BZUBWJWBLJXJMX-MRXNPFEDSA-N 429.506 0.177 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 1622357441 MJCLPPWQBMNXPA-OAHLLOKOSA-N 427.490 0.597 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1637515411 ZEEZHONAVWGWTA-MRXNPFEDSA-N 437.518 0.964 30 10 ICEE C=CCC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1640862962 CMBPPAIXMWFELP-SNVBAGLBSA-N 426.271 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 1644284633 AJYUFBBHWQCYNQ-UHFFFAOYSA-N 443.316 0.800 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1662402607 ODRHXEHGUQYPNM-IAGOWNOFSA-N 446.547 0.543 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690670483 CEXYYJLLOZUQPU-ZWKOTPCHSA-N 447.584 0.511 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1705510492 QOTZJEXWVKSOKW-GOEBONIOSA-N 426.543 0.033 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705533186 KCUSJQJIHCGJOT-INIZCTEOSA-N 447.521 0.283 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705570472 PZPQSAXAMJKWJG-QGZVFWFLSA-N 440.533 0.550 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705768905 CQMAKSGIMPKHMR-SJORKVTESA-N 437.566 0.832 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1712521691 MDTIKUWQHCZZBH-HNNXBMFYSA-N 441.554 0.682 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CCO1 1712884040 FJHIZOPTHNYUKN-WBVHZDCISA-N 444.517 0.938 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cc[nH]n1 1722403580 XFNQALPOCORITC-WMZOPIPTSA-N 425.493 0.618 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CC)C1 1722719779 ZRKFHLRHHFBDBU-JTDSTZFVSA-N 443.570 0.553 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)OC)c1 1740563443 ZJNGZHKLRIJBJV-CABCVRRESA-N 448.549 0.979 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)F)CC1 1740702450 PKQVTLBRCAUWKE-LLVKDONJSA-N 436.460 0.416 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1748278833 VXDJBUQPAOFJDO-JKSUJKDBSA-N 426.433 0.979 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1748857845 GGSYDMBHJYZMMX-GOSISDBHSA-N 428.518 0.322 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(C1)OCCO2 1749489081 RDAWZICONIUYKY-HZPDHXFCSA-N 441.554 0.776 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749659500 FNTKQVOPAFDPEC-CQSZACIVSA-N 449.533 0.888 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1750208518 FYKBMVYVCIRLRJ-UHFFFAOYSA-N 441.521 0.580 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760312672 BZZXIKBRQCYGBD-ZACQAIPSSA-N 431.541 0.954 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1760373757 BJVGHHNBJQHYQU-RHSMWYFYSA-N 447.945 0.359 30 10 ICEE CCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766789398 IAMWGLWXZNBRPX-KIJUOZEOSA-N 448.549 0.943 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1=O 1767507318 WWALFUKNCPRWPX-JOCHJYFZSA-N 437.504 0.766 30 10 ICEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCN(C[C@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1856388305 VRLDVWCIJWDKSO-IEBWSBKVSA-N 430.530 0.352 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2249538191 PUAUROVYSSJBFC-AWEZNQCLSA-N 444.529 0.938 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630660 NEWGSTHCOJLMAK-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2255699760 RXCFSWJEASWCQU-CHWSQXEVSA-N 433.318 0.948 30 10 ICEE Cc1nc(S(=O)(=O)NCC2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282410715 XYDJFXXKYOPBPR-UHFFFAOYSA-N 427.332 0.459 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@@H]1CCCO1 440380926 HJSFGHHXRZTZRN-HNNXBMFYSA-N 431.514 0.646 30 10 ICEE CS(=O)(=O)N1CCC[C@@H](CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 484532043 OQRJKNKSJLSGOZ-KRWDZBQOSA-N 426.564 0.536 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 505701745 ZHNLWYYLFHHAQC-CVEARBPZSA-N 442.541 0.630 30 10 ICEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544637886 BKQXORMUNAKEAV-UHFFFAOYSA-N 442.497 0.898 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 733258377 ZFAWOBZLDFGAKD-NRFANRHFSA-N 433.512 0.316 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O 771865535 PUUBNRKVZBNVSE-KRWDZBQOSA-N 447.536 0.975 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1140633392 HXWPQPFRVPXWPR-AWEZNQCLSA-N 443.522 0.716 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286793271 BOFSOZNCWHLWPO-VQIMIIECSA-N 448.568 0.794 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300505687 FRUPOLVKLNSWTI-MLHJIOFPSA-N 438.550 0.808 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1300537953 MBLCZOXITRWMOM-YJBOKZPZSA-N 434.456 0.852 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1300829904 BXBCWCUSUGNTEV-LLVKDONJSA-N 449.375 0.759 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1301520319 WLSQZQHFBUUWES-NRFANRHFSA-N 448.524 0.700 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(=O)N(CCOC)C1 1358887538 YWCXZOBWTVAWMU-HUUCEWRRSA-N 428.493 0.959 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1358961851 GFORBKTVXZNMOK-JKSUJKDBSA-N 448.574 0.864 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359059787 AAVWQHQQBYSCIS-HNNXBMFYSA-N 445.549 0.240 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1360714582 QOEAHBBUJAWUOC-QAPCUYQASA-N 447.565 0.926 30 10 ICEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1454847301 AOEXORMKASTONY-FRFSOERESA-N 437.518 0.834 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1 1455102264 NIUKUMXXWVLUBU-UHFFFAOYSA-N 433.511 0.444 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1 1455114316 CEVNTVFCORXWCD-UHFFFAOYSA-N 432.462 0.065 30 10 ICEE N#C[C@@]12CN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C[C@H]1CS(=O)(=O)C2 1462990890 UPSFHTNPXUJXNA-LPHOPBHVSA-N 437.543 0.872 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1507981045 ILBRPDQQHMKUJD-HZPDHXFCSA-N 435.554 0.692 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1508146015 TUYXBFWKTXMHLJ-UHFFFAOYSA-N 433.600 0.549 30 10 ICEE C=CCCn1cc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 1515293498 TZAUIFTZUOICGH-SFHVURJKSA-N 426.525 0.850 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1=O 1536980133 XLGGFNWGRVXBPG-UHFFFAOYSA-N 425.195 0.950 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539215428 BUEANLNYSLZXHD-APWZRJJASA-N 436.538 0.093 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539223036 YRFOKAXFJNSXGM-SJORKVTESA-N 437.566 0.667 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539744377 KAMQUSYJTGYAGG-IAGOWNOFSA-N 432.525 0.650 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1543905348 PVNAHNLLWWFYTJ-INIZCTEOSA-N 445.586 0.657 30 10 ICEE C[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1S(C)(=O)=O 1555957291 YKZJXVMLGLWKAK-WMQDPJMESA-N 449.537 0.152 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1595529689 DMGIFTMQRPRIFP-UHFFFAOYSA-N 438.536 0.351 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1595991956 PEJZGZSQUSSKRH-HOTGVXAUSA-N 446.533 0.998 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689994027 PPEDGRJWQGUFCD-INIZCTEOSA-N 440.591 0.682 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1690032658 GUGKHDFFTXUMOT-MGPUTAFESA-N 432.550 0.362 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1705930353 LIPTWBDSDLOHIO-ZIAGYGMSSA-N 435.572 0.104 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712482496 SZLFKCLZLFEJRC-CZIZESTLSA-N 440.508 0.568 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722527178 BDMKBFYRGJJQSK-HNNXBMFYSA-N 428.559 0.479 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722692169 GOGGTYUNVLBIIH-MRXNPFEDSA-N 431.541 0.509 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1726446925 RDAWPCOFYGSVFQ-UFOSLELVSA-N 438.492 0.477 30 10 ICEE COCC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1730418568 SQLLACWLSRZUCF-ZPHPHTNESA-N 431.497 0.223 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740963109 ZOAHDEWXNFEBDQ-HXUWFJFHSA-N 445.612 0.764 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCOCC2)CC1 1749001644 YIXNODZDZBVYSB-UHFFFAOYSA-N 428.537 0.907 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1750060502 HNLZSVYKQWLVAS-LSDHHAIUSA-N 446.537 0.945 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1760209971 KYZLFRFAEQISGP-HNNXBMFYSA-N 443.533 0.890 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1760263310 WHJAVDMZNIFECE-UHFFFAOYSA-N 446.577 0.376 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCOC2=O)CC1 1760270485 YCXWCLUNCNJMFM-KRWDZBQOSA-N 430.509 0.590 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760510429 XRHFMWUTROLFQA-AWEZNQCLSA-N 431.584 0.617 30 10 ICEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)cc1 1760529873 HZHMBISJSCJFCX-HOCLYGCPSA-N 448.549 0.813 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760556443 DOYPCVRDOWUPGV-QGZVFWFLSA-N 437.566 0.659 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1769122547 UKJIGUCDBXKHPN-AWEZNQCLSA-N 433.538 0.574 30 10 ICEE N#CCCN1CC[C@@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1855019285 MCRHGAOFHFPNAH-GOSISDBHSA-N 432.546 0.899 30 10 ICEE Cc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1866639358 UQZOFXQMLNGNBB-KRWDZBQOSA-N 430.486 0.846 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2267275390 NLMUWQJPIWBEIL-QGZVFWFLSA-N 441.341 0.745 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268714259 ICSCLBCDCBSFJH-NUEKZKHPSA-N 449.313 0.660 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@H]3CCCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204890795 QRRQDOHNZAEWEP-ZBFHGGJFSA-N 437.371 0.850 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CCC 447281568 SNIAZEHIJGHVCN-UHFFFAOYSA-N 438.351 0.845 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)o1 514475473 YDKFENMMIFPXGI-UHFFFAOYSA-N 430.530 0.171 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)CC1 522871887 UXEYLMATAGOLLH-UHFFFAOYSA-N 439.538 0.909 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c1 524969726 MXJZGJQFGWBMDG-UHFFFAOYSA-N 430.534 0.969 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537259892 UNZRAQGKPUBSER-SFHVURJKSA-N 430.578 0.377 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCO2)CC1 549625782 LAYFHDSOMKWMNG-SFHVURJKSA-N 445.568 0.507 30 10 ICEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 603631079 XRWYXOSRDFGMQO-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332226 WNNBNFJEGXWZER-QZTJIDSGSA-N 448.541 0.744 30 10 ICEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)cnn2C)c1=O 795187245 MHFCHYHNCHVUNT-UHFFFAOYSA-N 438.509 0.993 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 806507115 KQCGLQPXKSTWDZ-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)cc2c1OCCO2 920399881 WMACMYBJGSZZRR-UHFFFAOYSA-N 438.509 0.983 30 10 ICEE CNS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1141966268 AEMBJJRFWVRSBY-HMMYKYKNSA-N 431.540 0.272 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1179653462 YYDFPBXQBLBTHC-WTVLQJKYSA-N 427.523 0.846 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)cc1 1264645115 LFRCLNALDGBLJY-JFPYRBRCSA-N 428.536 0.910 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(S(C)(=O)=O)CCC2)CC1 1286494027 YRTUQIJQRRIZLV-UHFFFAOYSA-N 437.566 0.748 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1300603661 VRFUOQHBXZYSLJ-JOCHJYFZSA-N 432.569 0.942 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(N)=O)c2)CC1 1300683356 ZYEFRGAEVBUNJY-UHFFFAOYSA-N 444.499 0.828 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301587268 SUVQYRBXDQVETQ-MRXNPFEDSA-N 425.555 0.563 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301594404 BLVDEDPQZLBYQJ-DYVFJYSZSA-N 444.583 0.838 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1302221972 HGDPGXOCDRJBOA-QZTJIDSGSA-N 429.477 0.840 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1302478858 HLZFWOMZFPAECZ-IAGOWNOFSA-N 431.522 0.417 30 10 ICEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1303735313 CKMDJPLEUZZFRI-QGZVFWFLSA-N 437.552 0.944 30 10 ICEE Cc1onc(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C#N 1345487188 JDZNPWZVDFBLKB-OAHLLOKOSA-N 425.493 0.360 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1359025274 JCEADDRZHGMMOR-SFHVURJKSA-N 449.533 0.451 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(C)COCCO2)CC1 1359040665 CZLVABPOCTVANS-VGOFRKELSA-N 449.552 0.773 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccccc2Br)C1=O 1461481299 DXMJASXLSBZLJT-CYBMUJFWSA-N 438.234 0.756 30 10 ICEE C[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCS(=O)(=O)CC1 1464812166 JASQWTHOOKRSOR-OAHLLOKOSA-N 441.550 0.399 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1503726796 KKAMGRBAFYNGDM-FQEVSTJZSA-N 445.549 0.718 30 10 ICEE COC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504674535 ZHZHYDOQLHIKBP-UHHPSXQGSA-N 445.524 0.806 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507588604 OMWOQNNJHGLNBJ-KRWDZBQOSA-N 442.545 0.951 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1507632301 YQMKAXISAQSYAQ-SFHVURJKSA-N 438.513 0.902 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCOC)CC1 1507885145 STYGXTJDABNBIJ-MRXNPFEDSA-N 429.543 0.430 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1508037964 GOYLOVKSPPUBMR-MGPUTAFESA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1508085940 IQXVZAKNFZCMHC-UHFFFAOYSA-N 437.504 0.703 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1508143089 WTXYKWBWBHNXIA-OAHLLOKOSA-N 426.543 0.234 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508239534 XBLSETDPHUYZJL-OLZOCXBDSA-N 435.510 0.458 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1519595004 WGUYNKHODSQWCK-FQEVSTJZSA-N 443.533 0.472 30 10 ICEE C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)nc1 1531315796 FUOVZYRORPJJAS-UHFFFAOYSA-N 428.514 0.953 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1539415894 HNFXVSWKVYLRPE-QGZVFWFLSA-N 425.555 0.887 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1539668745 DJEFMQZZSQKZIV-INIZCTEOSA-N 425.555 0.832 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1540869015 ZHWLUFUIHMDIOL-HXUWFJFHSA-N 448.531 0.893 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](F)COC)CC1 1588805974 DRZQBMYFQUOLBC-INIZCTEOSA-N 449.556 0.978 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCN(C)C)CC1 1588930287 RTTYUNBPXBCMQZ-IBGZPJMESA-N 432.569 0.716 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595784892 MPXJYNDYLFJWOE-SJLPKXTDSA-N 449.581 0.436 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619620835 YNQHVCLAEWGPQZ-JKSUJKDBSA-N 428.472 0.807 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 1671967385 YEOMDBAKJCNZPS-HXUWFJFHSA-N 433.578 0.692 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1689987880 DTCFWVWQXJCHHC-UWJYYQICSA-N 444.561 0.342 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1690077727 VOJBBDXCBHTYQJ-INIZCTEOSA-N 426.506 0.664 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690124267 IFJYNYRDBAPXRY-NHCUHLMSSA-N 429.613 0.953 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1690669255 ZGWNPWYWPVFXFB-CYBMUJFWSA-N 448.553 0.241 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C)C1 1690671065 OJSTXSIWVYUXIR-INIZCTEOSA-N 426.525 0.979 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1690674737 CUVVXEQMRVYSOC-UHFFFAOYSA-N 436.524 0.559 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1705568530 PJAKQVUDPGCYKT-QGZVFWFLSA-N 442.545 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCOCC2)CC1 1705635007 OSVXFLSXCXKQES-QHCPKHFHSA-N 446.596 0.798 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1705829745 BLRMHCBRWSUKII-HNNXBMFYSA-N 427.527 0.661 30 10 ICEE C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1723968782 IBOGCAUQLGVKDH-WBAXXEDZSA-N 442.517 0.214 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1730805408 QYOOPKOWBIYCCX-UHFFFAOYSA-N 449.519 0.973 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)nn(C)c2C)CC1 1740705617 JQCKCGOMVGWMCU-GOSISDBHSA-N 438.536 0.594 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748802255 OGRQSGVVDJAZGM-LSDHHAIUSA-N 425.580 0.892 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1748804903 MHOIIFDLITVNQH-HNNXBMFYSA-N 431.584 0.358 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749669800 KSVIKFYNRSPYPK-GOSISDBHSA-N 445.568 0.566 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760519008 OOOOQHKPFYHCSC-UHFFFAOYSA-N 436.520 0.377 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1760527668 FDSBYGPFMOSRKV-HNNXBMFYSA-N 428.493 0.883 30 10 ICEE COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(OC)c1OC 409795190 WBYLJGLRAARUND-ZDUSSCGKSA-N 428.449 0.721 30 10 ICEE CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2F)c1=O 589161887 ZEGDGMOGYBDRTH-UHFFFAOYSA-N 449.529 0.470 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604000861 FCXDCLANBOYVJR-UHFFFAOYSA-N 431.477 0.431 30 10 ICEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)cn1 726182448 UIASCEUEASUZHO-UHFFFAOYSA-N 435.465 0.922 30 10 ICEE C#CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 733202878 XJWSBOONCWUHDK-YGCDDZCOSA-N 434.543 0.826 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 768085169 GBADJEAHRKEDHR-ZZEZOPTASA-N 434.456 0.942 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 1191504632 YKDMZXKODQAZJY-UHFFFAOYSA-N 427.910 0.491 30 10 ICEE C#CCN(C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C1CCN(C)CC1 1226843686 RSMKFQPFDTXZJX-UHFFFAOYSA-N 449.357 0.650 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1286418284 GGXWDNXMMXKHBU-UHFFFAOYSA-N 442.545 0.747 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286791459 ZVVSZGVFVSEIPP-UHFFFAOYSA-N 439.520 0.699 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1300409884 KTIHTYPHHFAVLK-KSZLIROESA-N 437.566 0.887 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1300671339 HVYGHSJGGUHZHH-MRXNPFEDSA-N 441.554 0.002 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301040626 HNCUSNRXJABMTG-KRWDZBQOSA-N 438.960 0.905 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301258337 QGKPFXITALIARP-GOSISDBHSA-N 446.552 0.646 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1301518908 KWAZGSOMTJOJCP-JTSKRJEESA-N 446.552 0.824 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 1311723588 OMYGFTJVPAOOMS-HNNXBMFYSA-N 435.506 0.499 30 10 ICEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1316267143 CMKGTHBRGLFPMY-IBGZPJMESA-N 442.520 0.913 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)cc1 1316297209 HVVPUZXQDLGESS-BZSNNMDCSA-N 426.477 0.878 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1358955019 CEORWUFFEAHYAT-OAHLLOKOSA-N 448.553 0.000 30 10 ICEE Cc1nn(C)c(N2CCN(S(=O)(=O)Cc3cccc(S(C)(=O)=O)c3)CC2)c1C#N 1475201055 AELKMFXOLQENJI-UHFFFAOYSA-N 437.547 0.656 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nnn(C)n2)c1 1507552718 ROAPIBDZCQNDTR-UHFFFAOYSA-N 448.491 0.029 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507739189 OBFZVBTXGNNONM-FUHWJXTLSA-N 449.577 0.573 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1512366784 DPTHJTKVLLXPRQ-YKHTYXQRSA-N 443.508 0.654 30 10 ICEE COCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1519357097 STKRVHIXNVCZCA-KRWDZBQOSA-N 441.492 0.598 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2nnn(C)n2)c1 1539040486 UKSIDRHJMMWJHZ-UHFFFAOYSA-N 428.460 0.968 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1540869764 VYOGGBRWUHREGY-INIZCTEOSA-N 435.492 0.125 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1540871661 QJCXJYHGWGZYDV-HOTGVXAUSA-N 425.555 0.734 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1540876229 LDCXPJKUAIZYOF-WWMYMODYSA-N 435.525 0.617 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 1558075477 VYGVQSWEPZYLNO-UHFFFAOYSA-N 449.460 0.583 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1561667890 JAUUNEVPRJCNBU-UHFFFAOYSA-N 425.308 0.376 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1587989158 HOHQMSZVLUGVIH-HNNXBMFYSA-N 436.563 0.846 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1587990363 WHVPOHBMJTVLJB-SJLPKXTDSA-N 431.518 0.684 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594784258 VJVSXXWUSPHYHK-UHFFFAOYSA-N 449.556 0.182 30 10 ICEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc12 1598567065 FLLXGYDBCCHOLA-OAVHHTNSSA-N 435.531 0.458 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1611676807 DHCSDRPXTDILGA-ZDUSSCGKSA-N 444.583 0.596 30 10 ICEE CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Cl 1617487673 QFJQEGDVXIRGQV-LRDDRELGSA-N 447.922 0.532 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)CC1 1626966485 DXSNXJIVXBKROR-UHFFFAOYSA-N 432.525 0.305 30 10 ICEE C#CCCN1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1627319247 VPAWFTZFAAUXCC-OXQOHEQNSA-N 425.551 0.436 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 1658444373 OJNDWXJNXAEOOV-IAGOWNOFSA-N 435.550 0.917 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689978487 WLLQBGSFOVTYAI-DLBZAZTESA-N 435.550 0.566 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1690067704 HTDYKHPJNLTXET-FQEVSTJZSA-N 434.518 0.971 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1690206205 JQTFKPXSGXCYST-GPMSIDNRSA-N 440.591 0.997 30 10 ICEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690452096 WTFSVYVILOCFSK-MRXNPFEDSA-N 431.541 0.700 30 10 ICEE N#Cc1cccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1698486329 KAPHJTDKEHOWHM-HUUCEWRRSA-N 429.431 0.913 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1710730980 BGIIAXXGMHHAGS-KRWDZBQOSA-N 445.549 0.843 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(CC)CC1 1722281335 YBUZGSGTZNVIHE-YESZJQIVSA-N 425.603 0.372 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1722397424 QFGICOHSUDQXGL-LJQANCHMSA-N 443.529 0.828 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1722403439 QWNZFPYWZRPBDL-UHFFFAOYSA-N 432.506 0.325 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722700275 DFGPKLCEBMPBSO-MJGOQNOKSA-N 425.537 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1722726675 AOLYZOCWMPFEOC-MAUKXSAKSA-N 444.579 0.398 30 10 ICEE CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1729715316 FMQQYCARHOZYQX-HNNXBMFYSA-N 447.521 0.060 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740548500 GTRIURVCTMWNAW-XCLFUZPHSA-N 442.501 0.601 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740946598 CMDFVQLLXSPODK-CQSZACIVSA-N 431.522 0.187 30 10 ICEE CCN1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1746411495 GITRSXMMJIBRCH-BBWFWOEESA-N 439.586 0.834 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748803453 ZAUXMKUXRJQMOC-SFHVURJKSA-N 442.545 0.893 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749038935 MZGFMRUAHKVFNE-UONOGXRCSA-N 425.536 0.187 30 10 ICEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1750330339 BAOLSTZVIGUKKY-UONOGXRCSA-N 430.556 0.093 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760181814 BUEBLHXVHWRTGF-HOCLYGCPSA-N 425.555 0.858 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187663 KVMSDWLBSUGAJL-SJORKVTESA-N 448.593 0.730 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187940 MFEYNDIXBGACRZ-CVEARBPZSA-N 435.550 0.673 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760525395 DOOPPBWDIKXPKQ-IBGZPJMESA-N 431.522 0.967 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760727954 NWKFPLWKCSTFNE-PVEMMZBWSA-N 436.538 0.725 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1=O 1853681677 CEIWOEVJOZKONE-IRXDYDNUSA-N 433.530 0.940 30 10 ICEE 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 2213501040 UQIXGLWNYOGQFU-LVQVYYBASA-N 441.525 0.750 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255645225 OBWOUQAZTXMUII-CQSZACIVSA-N 436.318 0.733 30 10 ICEE C=CC1(O)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270528726 UPVQAMFFSXNKTK-INIZCTEOSA-N 426.491 0.797 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 492335755 IVFHKIBLVBAEDI-KRWDZBQOSA-N 428.489 0.466 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CCN2CCOCC2)c1=O 502017678 NZPAGRHRWLDWII-UHFFFAOYSA-N 449.536 0.361 30 10 ICEE Cc1noc(CN2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n1 539455674 VQJKWAPIKBIZCI-QGZVFWFLSA-N 429.550 0.966 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598915 ZBGYULBDFMKALK-CQSZACIVSA-N 428.514 0.462 30 10 ICEE Cc1ncc(S(=O)(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1C#N 589976379 DQINXHRPDPTGLE-UHFFFAOYSA-N 436.519 0.539 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C)c2=O)cn1 732561304 LLBHWCXPDPGTBQ-UHFFFAOYSA-N 437.525 0.690 30 10 ICEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 760200535 ZSLAGWBSBGUIIC-GOSISDBHSA-N 434.518 0.656 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)s1 1137178938 NZKCBOFNSNNONT-KPZWWZAWSA-N 440.547 0.592 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc[nH]n1 1150366221 GKEMTEXROGXAPY-IEBWSBKVSA-N 443.504 0.693 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1286808869 FFYSYSVUWSVEIN-HOTGVXAUSA-N 441.554 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286819040 XFWSHJINWGSGIR-HNNXBMFYSA-N 442.567 0.293 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286819744 USLNIMKPIODYNQ-AWEZNQCLSA-N 431.584 0.617 30 10 ICEE CN(CCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1298641834 VRPWUCPERUKEEB-QFPXGYFVSA-N 448.549 0.943 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1300492701 OPQJYHWLGBRBPX-QGZVFWFLSA-N 428.522 0.510 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1300724703 CEIRXOZGZSNQGM-KRWDZBQOSA-N 430.553 0.910 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1314540095 CERZTXFTQYUSKY-QGZVFWFLSA-N 445.549 0.800 30 10 ICEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1320187424 QDMRXDNUAYFJAJ-HOTGVXAUSA-N 443.547 0.961 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1358960870 NFJBMBWRIHPNBH-KRWDZBQOSA-N 444.561 0.969 30 10 ICEE C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1C(=O)c1cscn1 1436606725 WPGVDMOBYZLEJK-LBPRGKRZSA-N 433.515 0.555 30 10 ICEE C=CCOc1ccc(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1444636833 JOIOSJMSIWTIAC-GOSISDBHSA-N 435.546 0.241 30 10 ICEE C#CCN1CCC(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1455941143 FPJZTALZHPOWLU-UHFFFAOYSA-N 446.573 0.514 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)C2)C1 1456026614 SXRLMDJUNFKUDC-SIRSKZSMSA-N 441.550 0.781 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OC)(c2cnnn2C)C1 1471677682 XUPHIXOAMUDNNE-HNNXBMFYSA-N 446.533 0.797 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507956957 APLKBBTXHMGXDE-KKUMJFAQSA-N 426.543 0.196 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2COCCO2)CC1 1539470213 ZHHTUXKGVWYWDC-PGRDOPGGSA-N 447.536 0.311 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539514483 QPGPFCPYMJWYMR-VBKZILBWSA-N 445.549 0.410 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 1588199704 WFSXITNGXFLQAP-UHFFFAOYSA-N 431.268 0.583 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1588384880 CXYNVICIKLCOJG-INIZCTEOSA-N 425.555 0.766 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1588595694 YOHXUOTXKSJYMJ-KKSFZXQISA-N 448.545 0.975 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(CS(C)(=O)=O)CC1 1612599191 CWHUHWFOHONCHQ-AWEZNQCLSA-N 430.538 0.788 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1618842031 GEKQZQULOCQMFO-HOTGVXAUSA-N 429.506 0.081 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C4CS(=O)(=O)C4)C3)CC2)cc1 1624645499 QPHCDXXCLZXFDF-UHFFFAOYSA-N 437.543 0.462 30 10 ICEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636782014 JXEWZDUUQQBYEE-LBPRGKRZSA-N 427.408 0.972 30 10 ICEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCCO1 1686184683 ODRDEPYQXLAHOL-JYJNAYRXSA-N 429.539 0.891 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1689852427 FGZVTMRUEGTKIP-CVEARBPZSA-N 425.555 0.886 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)CC1 1690112436 XWRYEAGNWCZREX-HZPDHXFCSA-N 426.612 0.787 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1690154964 BOASDUOFZGWXCA-CYBMUJFWSA-N 430.556 0.143 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1705583465 YTJAZJUOHUPTCX-HTAPYJJXSA-N 445.520 0.811 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1705651564 BHYUDWDHIGTJMI-AWEZNQCLSA-N 442.611 0.702 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722369458 ZPKRKWOPBMPYPS-GDBMZVCRSA-N 426.564 0.607 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1722451513 KGBDRZNWBVNCSR-ZIAGYGMSSA-N 428.584 0.217 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722713705 JDQPAMHDENHHMN-IAGOWNOFSA-N 440.566 0.893 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(O)CC1 1730956220 QDVPTLGMICRHKD-WDSOQIARSA-N 434.541 0.578 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740618462 IEFSEHRSTZUYHF-XLIONFOSSA-N 448.549 0.339 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC(O)CC2)CC1 1740698901 OZFWIXFFCCZEIG-UHFFFAOYSA-N 440.596 0.742 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC1 1740705198 CKZOVQFCIRLQRZ-KKSFZXQISA-N 430.509 0.001 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCN(CC)CC1 1748640706 XBHDYGOBSMLILT-BZSNNMDCSA-N 439.630 0.620 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)CC1 1748978658 QPLCIWLKCAZDJH-MRXNPFEDSA-N 432.550 0.592 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1751027582 XQFLVYGCWUKWCC-UWJYYQICSA-N 448.524 0.296 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1760175843 SQJATILQWSUWJD-MOPGFXCFSA-N 447.561 0.938 30 10 ICEE COCCN(CC(=O)N1CCN([C@H](C)CCC#N)C2(CCCC2)C1=O)S(C)(=O)=O 1854449606 NGCBXIZNDXMRCW-MRXNPFEDSA-N 428.555 0.570 30 10 ICEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CSC1=O 1869933987 UJIBWSXJGAIZKY-NHYWBVRUSA-N 438.531 0.951 30 10 ICEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCN(CC)CC3)ncnc21 1873594284 PDRJWLAQIZZGII-UHFFFAOYSA-N 427.553 0.821 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2064131968 GLCRYFGFEAHLEH-FYQPLNBISA-N 444.532 0.954 30 10 ICEE C#CCN(CC(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2210482987 VMJIOWSZTMFMGD-YCPHGPKFSA-N 427.498 0.314 30 10 ICEE Cc1nn(C)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2255821883 HROYXKBFQUNSNG-UHFFFAOYSA-N 430.236 0.778 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 105265686 RUKATGQELAFARF-JOCHJYFZSA-N 427.505 0.208 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 409666601 OOGHPCBHZPZJIK-RCCFBDPRSA-N 433.534 0.676 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1=O 440252476 GEYAYQZQRZIDOX-AEFFLSMTSA-N 449.529 0.823 30 10 ICEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 480933142 MXOCMFFNYFFKRZ-ZDUSSCGKSA-N 431.539 0.941 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(n2cc(C(N)=O)nn2)C1 500544104 JQUWGRYHKVVXNN-UHFFFAOYSA-N 449.265 0.872 30 10 ICEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 542418990 DVPWWEXNEVUPPK-UHFFFAOYSA-N 431.493 0.592 30 10 ICEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1C1CC1 732664007 ARBVVUNIQGZSGC-MRXNPFEDSA-N 434.518 0.715 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CCN1CCOCC1 733786930 DPDCIDBPEUPXDX-UHFFFAOYSA-N 446.330 0.426 30 10 ICEE C#CCN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)[C@@H]1CCS(=O)(=O)C1 760838322 ZIYLNMNEBFRRRE-OAHLLOKOSA-N 432.481 0.740 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(I)n1)[C@@H]1CCS(=O)(=O)C1 761145255 FQFNUIYLTLOCAM-SNVBAGLBSA-N 434.255 0.957 30 10 ICEE C#CCN(Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)[C@H]1CCS(=O)(=O)C1 768932566 WFBLZIYDZMOYOJ-SFHVURJKSA-N 436.530 0.555 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 794240594 QZAGEPHVXPUVLS-PJSUUKDQSA-N 435.502 0.542 30 10 ICEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)[C@H]1CCCO1 808746658 TZTOPZHNZIXEAB-AZUAARDMSA-N 435.546 0.932 30 10 ICEE C#C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1129730976 OVPUAPYJCXPJSN-ZDUSSCGKSA-N 430.262 0.687 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1286377234 UPAHGJLLMZQVOQ-ZACQAIPSSA-N 425.555 0.886 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)CC1 1286480624 NYVHNENSYRYFBY-HOTGVXAUSA-N 442.611 0.118 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1300548559 KNUOKGKQMLJTMM-UHFFFAOYSA-N 426.502 0.693 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOCCS(C)(=O)=O 1300579068 MNDQKIZMVVQLLH-UHFFFAOYSA-N 447.517 0.530 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1301477686 CYIBTHOUNAPCLC-UHFFFAOYSA-N 433.557 0.803 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(COC)CC1 1301587166 RHQAOVXDGPYVQW-UHFFFAOYSA-N 425.555 0.864 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1358978062 CEQLTKNKMKSNQH-UWJYYQICSA-N 449.577 0.625 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359301246 VLOJRKWKJHCJBD-ZNMIVQPWSA-N 438.554 0.005 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1454444393 HPBFBSMVGAAOQO-SFHVURJKSA-N 441.575 0.486 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1493179621 MEGNFJIYZAYPKC-HMWBCQRISA-N 436.476 0.533 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507628852 IRKOVPLHSKWMQG-IRXDYDNUSA-N 433.534 0.716 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537528770 HCPPBZXMKUWPFQ-JKSUJKDBSA-N 431.555 0.998 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1539072348 PTXDCAYLNBLQDL-CVEARBPZSA-N 439.538 0.414 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539215785 JEJJICUXTIYXRO-MAUKXSAKSA-N 431.566 0.788 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1 1540871325 JDQPHSCQBJSWDB-INIZCTEOSA-N 433.534 0.998 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1555055561 HYXWJGPZYQNEOM-ZFWWWQNUSA-N 425.449 0.671 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCC2)C1 1555812300 CTRCWFOVDZYPCP-MAUKXSAKSA-N 441.533 0.149 30 10 ICEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C(C)C 1558973685 BHXABTWRIUZEEE-KRWDZBQOSA-N 427.548 0.509 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588055451 VXZQIVJMNUOGKW-GKWFENNMSA-N 440.591 0.710 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1588384978 DQPWGURPVHIDLQ-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1619737876 VNTLAEVJPJCBEH-QAPCUYQASA-N 448.549 0.996 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c(=O)nc1O 1641034328 ZPNJDUNSICTANI-LBPRGKRZSA-N 446.261 0.752 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 1644285707 XPGNLCTTZUDVSU-UHFFFAOYSA-N 436.534 0.937 30 10 ICEE N#Cc1cc(F)ccc1N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1654542768 CJABKHGIKJGFIY-UHFFFAOYSA-N 445.520 0.826 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCCC)cc2)CC1 1663864096 NKUZCZMIHLISDC-UHFFFAOYSA-N 429.520 0.027 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C2)c(=O)nc1O 1681116547 ZMLNKMBXVIGMBO-OAHLLOKOSA-N 446.826 0.985 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1689852699 JIRKZDHZFDSTEA-CZUORRHYSA-N 438.510 0.252 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690622575 SIPHJCFKSZJMTF-LSDHHAIUSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1690675158 QKFZXRCVYHORNN-AWEZNQCLSA-N 445.549 0.534 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1O 1697064299 JQMDCWMTPCFTSO-FCGDIQPGSA-N 441.488 0.717 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705509581 IAEWISGFQPOODJ-MSOLQXFVSA-N 438.598 0.850 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569892 KXWKTMWYPPFFCC-QGZVFWFLSA-N 440.591 0.682 30 10 ICEE C=C(Br)Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705682330 WUNCMTGDLKVGST-UHFFFAOYSA-N 427.303 0.003 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1705696024 DQAHVPLZQKDRRB-QCUYGVNKSA-N 440.570 0.571 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1705829746 BLRMHCBRWSUKII-OAHLLOKOSA-N 427.527 0.661 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1705936461 RHAKPQRDOZZLCZ-HNNXBMFYSA-N 441.579 0.911 30 10 ICEE CN(C)C(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1710988581 CPDTZSZFKWTRRZ-ZNMIVQPWSA-N 433.513 0.866 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(OC)CCOC1 1712562002 NGSNHVPEBFAVOL-MMOPVJDHSA-N 434.541 0.984 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722359835 WGQGXAULWDKQOL-GOSISDBHSA-N 448.593 0.627 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722367917 NPCJTUKUMVADAW-QZTJIDSGSA-N 448.593 0.588 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cncn2)CC1 1722442075 XCENEUILQMTOGN-UHFFFAOYSA-N 425.522 0.317 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740627762 SINNYVGMMVWLOI-GDBMZVCRSA-N 435.506 0.591 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1740787269 FYUSUZJMPVTIMW-CVEARBPZSA-N 440.570 0.682 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748820142 ZPYKCIULZKZMSE-JWRCQZCYSA-N 447.586 0.802 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1748863955 LRCWJYFKTYHFLS-MRXNPFEDSA-N 434.566 0.610 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1749342522 HWVQMOZVLKAXHM-QGZVFWFLSA-N 437.566 0.832 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1749606229 RBQMLAFWYOANBO-MCIONIFRSA-N 436.542 0.578 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1760183768 SRNVMWCFOKRUOH-OAHLLOKOSA-N 445.611 0.532 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)CC1 1760397662 ZDQAQGYPAAUAQP-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1761292332 YLTURWZQWYIUIU-PGRDOPGGSA-N 445.568 0.974 30 10 ICEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1O 1771487641 ATDHCXAJKUDEAF-LIVBEALHSA-N 431.518 0.573 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)ON2C(=O)c3ccccc3C2=O)c1 1772790921 VQECGFDJLWOUQO-UHFFFAOYSA-N 433.442 0.633 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)[C@H](C)C2=O)CC1=O 1854142918 LTUBFUAVRSUPCG-SJLPKXTDSA-N 433.530 0.919 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NC[C@@H](C)O)nc1C 1872649039 HKEUVNATHMIMMI-SECBINFHSA-N 439.450 0.234 30 10 ICEE C#CC[C@H]1NC(=O)C[C@H]2CN(CC[C@H]2CC(=O)N2CCCC2)C(=O)[C@@H]2C[C@H](F)CN2C1=O 2080412607 CMGPMOIOCKVYFW-FKSLSLAPSA-N 446.523 0.314 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)C(=O)NCC#N)C1 2244739183 GDIKYGCZMOHRFQ-UHFFFAOYSA-N 425.486 0.599 30 10 ICEE Cn1nc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255615679 UPRYWUHNDGJTQG-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267215325 CLAAGMKOVNNQSZ-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 460809315 MNMYGFRPQVHZOS-ZIAGYGMSSA-N 435.572 0.056 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482549296 AOBHZSBWPSRSAN-ZDUSSCGKSA-N 444.538 0.288 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543659582 VVJYIHNICPWBIX-AWEZNQCLSA-N 442.497 0.967 30 10 ICEE C#CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 731838998 ADFNLSYFTVSELY-ZDUSSCGKSA-N 426.447 0.891 30 10 ICEE CN(CCN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)Cc1ccccc1 732465159 CWDCGCBMZDAFSH-DQRAZIAOSA-N 440.548 0.972 30 10 ICEE O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccc(F)cc1 733886095 GPTAATUXPXYVQB-MRCUWXFGSA-N 429.452 0.825 30 10 ICEE COc1cc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)ncn1 763787344 XTIMSBLXOVNEQG-CQSZACIVSA-N 444.517 0.651 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)cn1 765145785 NYRZYJZMBFMQGL-UHFFFAOYSA-N 440.529 0.828 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cn1 766414252 FZWIOGQRVPVUJX-INIZCTEOSA-N 430.538 0.893 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 767626764 ITCUVQQCFUIJEJ-BBRMVZONSA-N 431.474 0.616 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 790237121 FUWFYRAAIVNMBF-VBKZILBWSA-N 447.517 0.485 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C 838649691 ZLOYVXIQBKNBHR-UHFFFAOYSA-N 437.525 0.597 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1158229692 FIOJGMCWGRWMTM-RDTXWAMCSA-N 425.532 0.652 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286386925 JYFHJWDAIOAPEV-LNLFQRSKSA-N 447.561 0.962 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1286472727 DJUAVROSVOLBNV-UHFFFAOYSA-N 439.476 0.467 30 10 ICEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNS(C)(=O)=O 1293097598 PLNBVSYKMVHCBS-UHFFFAOYSA-N 448.553 0.843 30 10 ICEE C#CCN1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1293712497 DYWZWTBRILPSNR-UHFFFAOYSA-N 446.573 0.467 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300671239 FWZIEZTYUJCXEP-QGZVFWFLSA-N 433.534 0.758 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1358969547 RFZKSQHKHUJXFJ-FGTMMUONSA-N 436.582 0.460 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 1463165831 MZZAHHLEYQNDFI-UHFFFAOYSA-N 445.900 0.712 30 10 ICEE C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493959941 JEQVMNYSJDBAQF-OFXSGMSSSA-N 434.522 0.553 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1507616466 JOYIEPQCJJBDQP-QGZVFWFLSA-N 437.497 0.876 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1512457252 SIQZXFXNEOWPPJ-MMYRVIJDSA-N 443.508 0.365 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539203772 VAFNAHWDQUPHBT-CYBMUJFWSA-N 433.481 0.325 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1544477278 SNMWPERDVIFLEP-SJORKVTESA-N 437.541 0.623 30 10 ICEE C#CCN(C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1565049698 IMKUJLCIOXLENG-HZPDHXFCSA-N 429.539 0.843 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1587307669 WKSGUNVAYVKZEP-CVEARBPZSA-N 428.555 0.905 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)COc1ccc(C#N)c(Br)c1 1587457281 WQWFZXGOMLMWCU-LBPRGKRZSA-N 432.296 0.476 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588049211 CBWWIIDCEILDEG-QGZVFWFLSA-N 431.566 0.790 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1611710704 DIZLAILRJXXEOA-MNOVXSKESA-N 442.452 0.393 30 10 ICEE CNC(=O)NC[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1620525845 VAWWMWCPVGZHPD-RBUKOAKNSA-N 432.500 0.164 30 10 ICEE C#CCN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1629537204 VRAAWDDJUKTVME-LJQANCHMSA-N 435.546 0.884 30 10 ICEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1641521462 PNSNDPNZFSGPOF-SJCJKPOMSA-N 439.266 0.713 30 10 ICEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1655151588 JCHBZUINCJLXJU-OAHLLOKOSA-N 427.523 0.570 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689980486 SPNYWUQLQQPNMM-QWRGUYRKSA-N 443.473 0.077 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689982355 LHQQROGIJFHPRU-APWZRJJASA-N 426.539 0.593 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1692778927 AEIUTRBALVTFNN-KDOFPFPSSA-N 443.549 0.441 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1705566821 QRHFARPZIPRROS-DOOVEFGSSA-N 426.564 0.773 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705902294 BAICEUZRZKRLTF-MRXNPFEDSA-N 425.493 0.442 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1705925316 NTEJMOARFIJHET-LSDHHAIUSA-N 444.579 0.539 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722364458 LANORYXZRINDHW-HUUCEWRRSA-N 428.580 0.996 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1722373978 SSJYXNLBMKYNAQ-MRXNPFEDSA-N 442.545 0.759 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623654 YMWXMEPRZFFQIX-MRXNPFEDSA-N 435.550 0.454 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)n2)CC1 1740690789 NRIDBWJKIIRJRM-SFHVURJKSA-N 445.593 0.980 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nncn2CC)CC1 1740825018 HSDRFDLVLUUOTK-HNNXBMFYSA-N 436.542 0.427 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740885979 SMIMKWMBTZPYJD-BTYIYWSLSA-N 445.524 0.636 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1748765863 XDMCPWJYUJPDFD-PXNSSMCTSA-N 430.553 0.816 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748811822 LWRXXGDTQPZLLY-KRWDZBQOSA-N 442.549 0.704 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(=C)C 1748891663 CRQLVVDYDQWCSM-GOSISDBHSA-N 435.550 0.667 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749019959 GYMHFXQVVFUCAO-UHFFFAOYSA-N 430.538 0.369 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749734090 DZYWXLUFXPIKCO-ROUUACIJSA-N 439.582 0.684 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1750060400 GXANXCLXKHFTFQ-SIFCLUCFSA-N 433.513 0.903 30 10 ICEE C[C@H]1COCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1751208171 DGTHRPKQLCGYKY-LSDHHAIUSA-N 425.559 0.349 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1751236518 HIELIQVEQDSIMQ-WMLDXEAASA-N 446.533 0.863 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760099305 DTLWHIJSRBTRSO-FRQCXROJSA-N 425.555 0.670 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1760196339 LTDHWKCCBRXVEF-HRAATJIYSA-N 428.493 0.380 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)CCOC1 1767439618 NMOPQORKQXQJKZ-ROUUACIJSA-N 445.517 0.433 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2247904678 PKNSZRFXDYBLGA-CHWSQXEVSA-N 442.347 0.663 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 460542247 JBQPABFGCFOTOA-AWEZNQCLSA-N 428.559 0.538 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 484540342 GFOPGMKROQNJQB-MRXNPFEDSA-N 442.566 0.562 30 10 ICEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 512733785 HJYAGKQRHLPGAL-SFHVURJKSA-N 448.520 0.176 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 729331175 KHSYGNZNYWBRNC-DLBZAZTESA-N 440.543 0.406 30 10 ICEE N#C[C@@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCN1C1CC1 732674464 ILZNALZDEJBQCR-HXUWFJFHSA-N 447.561 0.730 30 10 ICEE COc1ccc(Br)cc1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 744131101 SMWOJPOOBRZNPT-ZDUSSCGKSA-N 429.292 0.966 30 10 ICEE C=CCNC(=O)CN1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 754822332 BYPQATLEEACANE-OAHLLOKOSA-N 429.974 0.624 30 10 ICEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 773299263 WRKTWSFTLPRMNI-AWEZNQCLSA-N 432.593 0.591 30 10 ICEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2=O 1134424704 USFBQNXSPALVAO-RYMBOPBQSA-N 436.534 0.520 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286390182 YHYJEMGTJZSYLY-ROUUACIJSA-N 448.593 0.732 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1300308668 DKTOEMPMDRBSMF-JSGCOSHPSA-N 439.567 0.472 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300497384 AXPJGMBFUXEWLN-QGZVFWFLSA-N 433.509 0.723 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300501729 NEBRZHFPOBOWEU-ROUUACIJSA-N 433.582 0.717 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCC[C@H]1C(N)=O 1301016446 RUBKUOKYGIDUFV-IRXDYDNUSA-N 449.577 0.596 30 10 ICEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1302207167 VDVYRFRYBGNPHF-JKSUJKDBSA-N 427.527 0.352 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1358878538 YLJDGDHRBHMAGR-BBRMVZONSA-N 444.517 0.795 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nncn2C)CC1 1359041651 DOCCRAGFUGQNBC-OAQYLSRUSA-N 442.524 0.073 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc(Br)ccc3-n3cnnn3)C[C@H]1CS(=O)(=O)C2 1439615133 MYAQFBPVINFWAE-BONVTDFDSA-N 437.279 0.435 30 10 ICEE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(C(=O)NO)cc3)cnc21 1467528078 NFNNLFLXIISGHW-UHFFFAOYSA-N 435.238 0.328 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1508088493 BDWBMYJLICKYOC-SJORKVTESA-N 436.582 0.547 30 10 ICEE O=C1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1521479346 XIYWVUHBJLHUKC-FMQUCBEESA-N 436.476 0.117 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)O)c1 1539038808 USSMTCOSTNZLSZ-CQSZACIVSA-N 448.549 0.715 30 10 ICEE C=CCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1544493591 WOPZMAWXJMNPDU-UHFFFAOYSA-N 433.490 0.772 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588049938 NSGPAENSSIIMNB-INIZCTEOSA-N 446.533 0.293 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589069012 HJCKQHOJTRRJEQ-HZPDHXFCSA-N 427.596 0.914 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(C)(=O)=O 1589163919 OGEWKHWTDOFAST-MOPGFXCFSA-N 425.555 0.860 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1595550288 BVVAEKSCYILRTB-INIZCTEOSA-N 445.549 0.204 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1595796765 BYSFHBFQBGCQGF-INIZCTEOSA-N 441.554 0.416 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1595798168 MUZDOBZSKSUXCB-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE CS(=O)(=O)CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1630022955 UZRGIBGYOXOKEZ-UHFFFAOYSA-N 427.548 0.836 30 10 ICEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 1634015644 ADLVTBQVMFCBRO-UHFFFAOYSA-N 437.522 0.861 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1636353363 YAZCBYZQKRUTID-INIZCTEOSA-N 428.511 0.495 30 10 ICEE N#C[C@]12CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1636512861 UIEOGKAUPKJJEV-BLLLJJGKSA-N 431.923 0.405 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 1644281900 PPFNYHPXKXSAFM-GOSISDBHSA-N 430.530 0.140 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)C1 1684083318 SISWIYLEAJBIIP-INIZCTEOSA-N 430.534 0.676 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690288209 MNAZBWSWIFISSB-LSDHHAIUSA-N 436.538 0.523 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(OC)CCOC2)CC1 1705649195 OEODYWYBANRPIS-NRFANRHFSA-N 427.509 0.450 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1722297375 ZILZLRROJWIECA-OAHLLOKOSA-N 432.554 0.459 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 1722640654 QGGBAMNEVLWQQK-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)c1ccccc1 1740599770 FIGOONYXICWTDB-HNNXBMFYSA-N 439.563 0.822 30 10 ICEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740876619 VPHRRCDSAKHPDH-INIZCTEOSA-N 444.540 0.605 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748698604 HMOCDIVZEBWAIB-RRFJBIMHSA-N 427.527 0.052 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1749683426 SQTPRMVBCXDXHA-HKUYNNGSSA-N 434.541 0.657 30 10 ICEE C#CCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760159339 CYXPJGWBGRWDSJ-JOCHJYFZSA-N 444.536 0.271 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760191586 JZNGVOBIGKJCLW-GOSISDBHSA-N 434.566 0.929 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1760261552 NIBOSXNLUSJZSJ-WVDZOPJMSA-N 441.623 0.483 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760542614 NIFAQCLIDZWGTF-MDZRGWNJSA-N 426.539 0.851 30 10 ICEE COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)CC#N)C(=O)C2)C1 1856508190 ACWFLFFAVKRGOO-AWEZNQCLSA-N 440.909 0.696 30 10 ICEE CCCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(C)(=O)=O 1860929296 LEPFMWCHIDFPBH-INIZCTEOSA-N 434.603 0.933 30 10 ICEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247880438 FMDHKLNLKMPVPS-LBPRGKRZSA-N 444.363 0.911 30 10 ICEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2248441700 NNUZYBVKNUTQSV-LJQANCHMSA-N 442.343 0.819 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1C[C@H](C#N)N2CC[C@H]1C2)NC(=O)OCc1ccccc1 2368607510 SHFLUBIYDWJHOX-YESZJQIVSA-N 436.490 0.066 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 72443845 BMTCKKDNUFXCQK-KGLIPLIRSA-N 437.416 0.604 30 10 ICEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)Nc1nnc[nH]1 253564783 GXWINVRLRRWGEQ-SYZQJQIISA-N 433.370 0.916 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(Br)cnn2C)c1=O 447277024 FXACUJWOZPAWOB-UHFFFAOYSA-N 434.319 0.373 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460784628 HMNREBJIHHTKAK-MRXNPFEDSA-N 446.581 0.939 30 10 ICEE C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCN1CCO 471053452 OQXYHENIXCOEOE-INIZCTEOSA-N 427.505 0.733 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516374431 AIFPAXINRCXXNT-UHFFFAOYSA-N 427.526 0.987 30 10 ICEE Cn1cc(S(=O)(=O)NN=C2CCCc3ncc(C(F)(F)F)cc32)c(=O)n(C)c1=O 777443927 NXUUCCQAPAKECG-UHFFFAOYSA-N 431.396 0.517 30 10 ICEE C#CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 779084800 ATBMWXTWFCKTNA-CQSZACIVSA-N 429.495 0.921 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 780887252 OKCYCSARECFSOQ-IBGZPJMESA-N 429.502 0.255 30 10 ICEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1 801214508 JFDOGIQDWSTURP-QVKFZJNVSA-N 447.513 0.976 30 10 ICEE Cn1cc([C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2(CO)CCC2)cn1 816687116 OIBAQJCJPXICMI-SFHVURJKSA-N 431.518 0.869 30 10 ICEE C#CCN1C(=O)C[C@H](N2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 821771628 IDTMKHMNMPLCTI-SQNIBIBYSA-N 446.548 0.975 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856607121 VWUSKNDDXVYZCU-LSDHHAIUSA-N 427.486 0.102 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1132004525 ITIDEZYGZLSXJP-HUUCEWRRSA-N 432.543 0.740 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)CS(C)(=O)=O 1157836997 SRTIGKPNRCZDEP-WBVHZDCISA-N 437.518 0.914 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1300480081 XRFLVNKNIQXKBE-HNNXBMFYSA-N 448.574 0.840 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301519530 PGIRYUUANPONQQ-NRFANRHFSA-N 449.556 0.472 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1301959246 FNCAYGDUGNIGSU-DJJJIMSYSA-N 433.490 0.819 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1358878539 YLJDGDHRBHMAGR-CJNGLKHVSA-N 444.517 0.795 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359056907 NRISVCUMSIZNGI-HNNXBMFYSA-N 432.550 0.076 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1503377373 NYHJZNXOWPRRPI-GOSISDBHSA-N 436.520 0.306 30 10 ICEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507680412 GGYXYGDYBMFASC-HXUWFJFHSA-N 434.518 0.971 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507944227 PXBWWHREMROMEO-CQSZACIVSA-N 448.615 0.715 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1539178930 MRRDVMAWPRSHCW-LBPRGKRZSA-N 441.501 0.976 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1539496909 JBFJXAKLPWKLBH-JKSUJKDBSA-N 426.612 0.929 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1547250440 GUVBXSXNJOOPCN-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1554494228 BBHYNXDWZXGRKN-QGZVFWFLSA-N 438.536 0.999 30 10 ICEE N#Cc1cn(CCC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)c(=O)nc1O 1583294157 BFFJMEOWIPPXLP-UHFFFAOYSA-N 431.474 0.134 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588049229 CNESBVBSJSAHID-QGZVFWFLSA-N 430.534 0.883 30 10 ICEE COC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619724588 VVGKCCCJIANXFO-MVZUJROASA-N 443.508 0.400 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(S(N)(=O)=O)c2)s1 1625446890 OABYZAFIISUPEM-UHFFFAOYSA-N 429.545 0.719 30 10 ICEE CNC(=O)NC[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1633118408 LGGKILLCHLWKIB-QGZVFWFLSA-N 449.533 0.115 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c1 1640353166 DRMJUVPKMVODIJ-UHFFFAOYSA-N 435.527 0.608 30 10 ICEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CSC1 1645212749 ZWQMTDGARGVQKI-UHFFFAOYSA-N 435.571 0.877 30 10 ICEE C#CC1(O)CN(C(=O)[C@@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1646381929 LSIRPFZNMYRURF-HXUWFJFHSA-N 433.464 0.976 30 10 ICEE COCCOCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1654084350 ZPJGJYSLKXHBJB-IBGZPJMESA-N 435.594 0.738 30 10 ICEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1nnc2n1CCNC2=O 1654765256 AZCZCCNZOHHAQU-KRWDZBQOSA-N 440.483 0.001 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CC2)CC1 1665178956 IFQARXNIPKTAFO-UHFFFAOYSA-N 447.966 0.903 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1689965739 CCZJYFIYFLXJKW-INIZCTEOSA-N 441.554 0.124 30 10 ICEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1689996665 LQACOIQFLVYVQI-HNNXBMFYSA-N 449.508 0.759 30 10 ICEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1695796209 FTXIDXKRSHDNPN-UHFFFAOYSA-N 435.492 0.771 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705609612 KMOBRUHRTKNAIO-FQEVSTJZSA-N 434.518 0.971 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1705626554 AEFJOROGQAGLPM-UHFFFAOYSA-N 430.509 0.814 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705736668 ZEXLZZIPLBVRCU-INIZCTEOSA-N 426.481 0.801 30 10 ICEE CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1711515498 ATGZWFNZWJHBBB-RKVPGOIHSA-N 426.543 0.776 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722359837 WGQGXAULWDKQOL-SFHVURJKSA-N 448.593 0.627 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722368164 PFVGUNJFWBWLAR-LGRMXARXSA-N 426.564 0.320 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1722383861 KTEZOMSQJPPPBR-GOSISDBHSA-N 434.566 0.170 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)CC(F)(F)F)n1CCN/C(O)=C1\N=CC=CC1=O 1723559259 GSOKNWPZSDWMTB-WYMLVPIESA-N 429.403 0.941 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOCCS(C)(=O)=O)CC1 1740692839 OMCWJCLBGKMFIT-UHFFFAOYSA-N 447.561 0.770 30 10 ICEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740882782 YBGSZCZODNVNAH-GOSISDBHSA-N 435.488 0.556 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740887289 FYEGRDICEZBTND-AEFFLSMTSA-N 434.566 0.949 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O)C1CC1 1740910521 OSOJLPUVIKIDPD-AWEZNQCLSA-N 429.568 0.371 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nccs2)CC1 1748973019 VEAPLXQVLWRKFG-LSDHHAIUSA-N 437.595 0.904 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)CC1 1748984343 KAAFSTZJMDFQJT-UHFFFAOYSA-N 427.505 0.871 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760183860 URVHYQBSQGRTTK-KGLIPLIRSA-N 441.535 0.156 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760521366 QQUKQSYZXBTGKK-DZGCQCFKSA-N 443.512 0.106 30 10 ICEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1768311698 MTMOFCPAJIUAEN-ZJFXZWFHSA-N 431.518 0.946 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1770350145 VGFCYWAQUMRWIK-UHFFFAOYSA-N 427.490 0.858 30 10 ICEE N#C[C@@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1)CC2 1857294897 CQZVXSLPBMOEIA-WBVHZDCISA-N 434.562 0.801 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1858335425 MASZZAPULPSQGN-CYBMUJFWSA-N 447.498 0.882 30 10 ICEE Cn1cnc(S(=O)(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 446965024 DWXNXJBWOZNRCE-CQSZACIVSA-N 434.503 0.110 30 10 ICEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 478744253 HJMWLNRXLSPVPO-SJORKVTESA-N 425.510 0.983 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn3ccccc23)c1=O 729670810 LAQFZVNJNVZMMI-UHFFFAOYSA-N 437.525 0.789 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749092548 AJLORTLXFLOINA-KFZJALRRSA-N 449.485 0.067 30 10 ICEE C[C@H](C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)n1cnc(C#N)n1 798994819 WPDHZPRUCYFNAS-CABCVRRESA-N 431.497 0.781 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 802563906 MLLUWYFBEAOGGT-CQSZACIVSA-N 428.515 0.076 30 10 ICEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 809889705 JNGLCPJXRRJFJL-HUUCEWRRSA-N 433.513 0.986 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 1191503257 QIOGTNSKEMHCKK-UHFFFAOYSA-N 432.315 0.952 30 10 ICEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCN(C)CC1 1221675754 GZQCRKALWLCNSX-AWEZNQCLSA-N 443.483 0.772 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1286394308 NURKTYCQJCVFLX-IAGOWNOFSA-N 428.518 0.169 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286438520 ZVXMDQXAWOWMBZ-QFBILLFUSA-N 425.555 0.671 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286481106 RYSVXCSQPZEECT-RBUKOAKNSA-N 448.593 0.194 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CC1 1286485042 BCTZPYBPLOUIAJ-SFHVURJKSA-N 441.580 0.964 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286789319 CWDRNJKTMROBNU-IBGZPJMESA-N 442.568 0.600 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300491029 DHGATRIMUFELER-HOTGVXAUSA-N 437.566 0.919 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1302475534 PHXRKGPFNHYIEF-VLGSPTGOSA-N 449.537 0.154 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1359025560 SIEOLJLGWPMWFL-ULQDDVLXSA-N 443.545 0.835 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c(=O)n1CCO 1459244282 VMUOBGHNINGAJK-UHFFFAOYSA-N 440.378 0.396 30 10 ICEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1505120615 HBPRBKSVABJVLV-ZBFHGGJFSA-N 430.490 0.410 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC(C)C)c1 1507550822 PZGZQLGJXKOFIT-QGZVFWFLSA-N 437.504 0.810 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1507654139 WLIFPRCMEUBEKI-IAGOWNOFSA-N 435.550 0.499 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1516025348 OXMNTXIGFZSDHK-QGZVFWFLSA-N 446.533 0.772 30 10 ICEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1516963770 FHUYUEFAABJPJK-QGZVFWFLSA-N 436.520 0.906 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1517029419 JKJBONIJSIQCBZ-HFUDNHEJSA-N 429.481 0.266 30 10 ICEE CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517595867 CBXOJIUMWZZKRW-MRXNPFEDSA-N 446.519 0.777 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1539210965 IJSLMJWGUYLMPS-AVRDEDQJSA-N 443.573 0.947 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCN(C)C2)CC1 1539470752 XZPUEMWWGCDGTM-QFIPXVFZSA-N 426.521 0.879 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C1 1540882544 KHVCLNPFNFKHHP-JDBVMXIESA-N 431.584 0.581 30 10 ICEE CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1552378028 CHDVEOVLVQJVBI-UHFFFAOYSA-N 445.549 0.961 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1554122076 WTKYOVZQNIYYLR-JGWKNBOWSA-N 445.549 0.869 30 10 ICEE C#C[C@H]1COCCN1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1563909965 JFJXYKRKBQZCKT-NRFANRHFSA-N 428.533 0.816 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 1650846241 OOJXBOSUNMUIRO-IBGZPJMESA-N 432.546 0.775 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1689929785 DSQXBYJULQRIHC-MRXNPFEDSA-N 443.595 0.359 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1690093858 MFIMIAOHFSVERS-OAHLLOKOSA-N 431.522 0.670 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690110390 KGVKCNDREWJLES-INIZCTEOSA-N 436.520 0.595 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1690244198 UVLMKXCAPJPRNR-APWZRJJASA-N 429.525 0.955 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1705474159 DJHMJIAMSWXCMB-CQSZACIVSA-N 432.506 0.323 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)N(C)C 1705484992 ASPYUVYTORSFMY-CQSZACIVSA-N 429.510 0.270 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705565493 IOTHXYFONKOYTG-STQMWFEESA-N 431.465 0.138 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705566939 RYDKCRGMVLMMIE-BBWFWOEESA-N 435.550 0.815 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1705621326 BTUMPSVTPUWILD-HNNXBMFYSA-N 449.533 0.794 30 10 ICEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1706958763 CMJPEAWEHMTDNQ-OXJNMPFZSA-N 447.517 0.883 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1722366105 PKBOCKPBDJDPGO-SFHVURJKSA-N 425.518 0.856 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1722373637 OYZQUUBHKZGPLQ-AWEZNQCLSA-N 434.547 0.453 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1722394166 OPGOFKSHJXVSFI-HSZRJFAPSA-N 432.484 0.806 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1722413092 HVOZKMGUSPEYIX-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722533978 HMKRWYFGWSJYLU-UHFFFAOYSA-N 426.525 0.728 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1723622231 SRKCEBIGBLVNKE-WBVHZDCISA-N 443.483 0.628 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1740794714 GTHMUFOJSNOJTN-CVEARBPZSA-N 425.555 0.865 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1OC 1749053191 CNYFYRJMNWOIAA-WFXMFSGNSA-N 425.555 0.932 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749659963 KMUJIYWWRDNWJV-QGZVFWFLSA-N 444.492 0.216 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749677107 NEQWYLVHLQGZQU-MRXNPFEDSA-N 426.477 0.843 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1749849890 SHEQLKDIRHDAFL-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751983200 NYMAOXUUBXCDLX-SYWZAZHRSA-N 443.508 0.365 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1760337835 WPEHSRNNJBNJKL-CRAIPNDOSA-N 445.611 0.881 30 10 ICEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1760499940 PXZCJJBJIYYXKG-KRWDZBQOSA-N 428.493 0.916 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760560515 XTZUFABASJAOQW-AWEZNQCLSA-N 430.600 0.866 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C[C@@H]3C(=O)NCc3ccncc3)CC2)nc1 1851146804 SQIJTJJPXRADHI-PMACEKPBSA-N 434.500 0.966 30 10 ICEE C#CCOCCOCCS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882817220 ZBQRHACCPXEXNL-QGZVFWFLSA-N 427.475 0.837 30 10 ICEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCOC1 2248404410 JUMGBEPFQPBYLX-SFHVURJKSA-N 440.331 0.882 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 492376657 RBIXYPXUWBJMNF-INIZCTEOSA-N 440.591 0.656 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506924527 ZRYLENPQCPQHHU-LJQANCHMSA-N 449.515 0.879 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 730098185 UXNLBUYADHRKAQ-GUDVDZBRSA-N 445.541 0.832 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730143941 FZUZWQSDSIWKGI-GOSISDBHSA-N 441.557 0.946 30 10 ICEE CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 735198282 DYOSBWIHGGMPCS-ZFBDIBLVSA-N 428.536 0.323 30 10 ICEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800775868 UNTMEJRABGASSL-INIZCTEOSA-N 445.611 0.692 30 10 ICEE C[C@H](CC(=O)N1CCC(CNS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 804328100 XLQKJODVGVSCBE-CYBMUJFWSA-N 442.563 0.292 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 804959628 HQOXSZJMTGYTLS-AWEZNQCLSA-N 434.561 0.186 30 10 ICEE Cn1ncc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1I 1134044387 VYEHIQISSZEXOL-UHFFFAOYSA-N 445.242 0.702 30 10 ICEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)N3CCNC(=O)C3)cc1)C2 1158215339 AUONQNWMEVYXQX-UHFFFAOYSA-N 445.526 0.521 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 1179081565 AKTZASGRFXTTIR-HXUWFJFHSA-N 437.518 0.700 30 10 ICEE COc1ccc(Br)c(C(=O)NCCCNc2[nH]c(=O)n(C)c(=O)c2C#N)c1 1186102141 JEVTWWMCLRRYTG-UHFFFAOYSA-N 436.266 0.948 30 10 ICEE C#CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1265210979 XRVBPLOCDZIMTD-KBPBESRZSA-N 441.303 0.648 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1289437366 VRDVJLXXMADGCW-XGHQBKJUSA-N 431.514 0.701 30 10 ICEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1291986271 HLSVBORPWRRMMN-CQSZACIVSA-N 425.559 0.970 30 10 ICEE C#CCN(c1nnc(COCC)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504869 UXNGYBMJHSWPKU-OAHLLOKOSA-N 446.595 0.655 30 10 ICEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301108759 WGUGIDMEYSFXDZ-FQEVSTJZSA-N 446.533 0.877 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1314638808 KKOTZWKEZRHXOJ-HXUWFJFHSA-N 428.518 0.920 30 10 ICEE Cn1cc([C@H]2C[S@@](=O)CCN2CC#CCN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cn1 1322922609 LWVKYGUVIGDGJC-MNVPHMDFSA-N 448.618 0.068 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCOC2)CC1 1359040440 VDDJVYSDQSSWNM-QFIPXVFZSA-N 446.552 0.314 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1359133061 KVVVWNDMBDCGQC-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1359329477 KHOXVXXEIDBTLI-UHFFFAOYSA-N 449.533 0.842 30 10 ICEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCOCC1 1461714071 QNLWQYCTBGVQIQ-FQEVSTJZSA-N 433.530 0.698 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCN(CCC#N)CC3)CS(=O)(=O)[C@H]2C1 1471237064 DXXTUOBTPDPLDR-BBWFWOEESA-N 440.566 0.714 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1507536581 CSWHHNHJRHBYPE-JNAXZKDPSA-N 432.502 0.798 30 10 ICEE C#CCN(c1nnc(COCC)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507636526 AEFMPZUHOPZYHH-KUNJGFBQSA-N 430.596 0.989 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1507710905 MFPUZVGUADFJAP-OAHLLOKOSA-N 435.506 0.176 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1507791004 GPFQGOZKAORYCS-HKUYNNGSSA-N 446.552 0.790 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1510132276 LIZYGFGATCPHAJ-DOXHGZAWSA-N 436.538 0.941 30 10 ICEE CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517595844 CBXOJIUMWZZKRW-INIZCTEOSA-N 446.519 0.777 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1517624150 CYXKDMIINLDXPL-HNNXBMFYSA-N 427.490 0.771 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521130407 VMFNDNWMGMFVNC-DOTOQJQBSA-N 436.451 0.947 30 10 ICEE C#C[C@@H]1COCCN1C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1528153177 CSNPLIBGKHLLCR-CQSZACIVSA-N 425.463 0.865 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539052766 JFRJRVIWOIISFR-MSOLQXFVSA-N 438.598 0.993 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1540871765 SWZOOWGPTPAKNY-ZDUSSCGKSA-N 448.496 0.149 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1541925483 DEFGTDPVVOPGCP-HZPDHXFCSA-N 439.586 0.739 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1545920847 AZEUZOFDTOCZCU-VGSWGCGISA-N 442.568 0.851 30 10 ICEE N#Cc1cn(CCC(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)c(=O)nc1O 1565777640 UJHBDGICQBESNZ-UHFFFAOYSA-N 438.488 0.456 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)[C@H]1c1ccnn1C 1586185480 ZOTSDZMUDVNRBL-MOPGFXCFSA-N 428.518 0.990 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1588053515 FJYXRSMIEXPFBJ-AEFFLSMTSA-N 449.577 0.858 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1594962158 JAVIERDRVUWHGS-INIZCTEOSA-N 442.586 0.344 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595789551 WROMVYWJPWNXFM-OAHLLOKOSA-N 432.506 0.890 30 10 ICEE CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)CCN2C1=O 1618461970 ITIONZBGQVGHHD-UPTRSRDDSA-N 442.524 0.658 30 10 ICEE C#CC1(O)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1620645780 IIDHCNAPPMSJEA-UHFFFAOYSA-N 437.518 0.113 30 10 ICEE O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1636044760 ZVEUQPUIYSLQTO-ZDUSSCGKSA-N 430.490 0.716 30 10 ICEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643117996 GRAJEOUZVMZBMW-MRXNPFEDSA-N 432.424 0.785 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CC1 1664525597 WFOSNNAIIHXEFL-UHFFFAOYSA-N 435.424 0.650 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689988022 HNWKJJILFMLSSJ-JKSUJKDBSA-N 437.566 0.919 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc([C@H](C)O)cc2)CC1 1690111776 JTYWOPIQLNTWTM-IRXDYDNUSA-N 446.577 0.745 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1705648568 UOWKHCZDFVKJIX-MJGOQNOKSA-N 430.553 0.469 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705936100 JZKZTIVXPGWGDF-KRWDZBQOSA-N 437.566 0.832 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1722345765 RZEIQLQMHUIUOC-CQSZACIVSA-N 428.522 0.895 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1722428961 MAIRJZNLLJQSHR-CYBMUJFWSA-N 428.465 0.906 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1722434683 XOGJLFWMIJWIJL-UHFFFAOYSA-N 434.504 0.862 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722701557 UUOAFOVOCUXYKE-GOSISDBHSA-N 447.561 0.997 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740963150 AVXHJPQPGLUXLD-OLZOCXBDSA-N 446.489 0.686 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743773748 YRUOAKLYZJLWLQ-UDJKBAMHSA-N 445.524 0.613 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1747704304 FKPOJKMHAWNCOJ-INIZCTEOSA-N 431.522 0.677 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1749009036 FILKECCUDRIDNE-LJQANCHMSA-N 444.580 0.859 30 10 ICEE N#CCc1[nH][nH]c(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N 1866007517 WWKXJKNIXIJAPU-UHFFFAOYSA-N 434.865 0.696 30 10 ICEE Cn1nc(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 2255604292 DRLXOZYAPORZON-CLLJXQQHSA-N 433.318 0.709 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] 72443755 NGQUKQWCERQRRB-OCCSQVGLSA-N 437.416 0.604 30 10 ICEE CCn1nnc2c(N3CC(C(=O)Nc4ccc(S(=O)(=O)/N=C(/C)O)cc4)C3)ncnc21 96353947 JYMBEQYYEWXHSF-UHFFFAOYSA-N 444.477 0.981 30 10 ICEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCN2CCOCC2)c1=O 440372252 DWRXGWOSVRREJX-UHFFFAOYSA-N 444.557 0.419 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 514916355 JQSHDGALSIZLFL-UHFFFAOYSA-N 440.569 0.580 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)n1 546878541 VAMJTTXGNAHEIT-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 603797578 JMJUNTDUECOFOD-UHFFFAOYSA-N 432.571 0.331 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCO2)C1 619862593 BVNMUBXNUUDRTJ-VKJFTORMSA-N 442.517 0.622 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)c3ccoc3C)CC2)c1=O 727425996 GICOAMMNJIMZMX-UHFFFAOYSA-N 429.477 0.297 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1286351464 DHEAHSBZFZETCP-HNNXBMFYSA-N 446.524 0.412 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC[C@H]2C)CC1 1286492969 LENULTBNCKTYBJ-MJGOQNOKSA-N 430.553 0.469 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 1301188690 MQBOOTYSLUVQBM-HNNXBMFYSA-N 426.543 0.246 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301579130 NSSDUAHVSLSEGJ-KGLIPLIRSA-N 433.494 0.271 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCc1ccccc1 1303865427 ADKPZQODJGXTRE-NVXWUHKLSA-N 434.522 0.834 30 10 ICEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314548937 PMEHOVKGUKCWQN-UHFFFAOYSA-N 435.558 0.156 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1359057818 JOWKELVRDHXPSS-GJZGRUSLSA-N 429.568 0.203 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1359057937 MXVVUSBJAXPUSX-ZDUSSCGKSA-N 435.522 0.823 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 1359287711 RPDISMUXOHCPBR-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2nscc2I)CC1 1443359624 XTQRJMYJDOPZAN-UHFFFAOYSA-N 432.287 0.645 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC[C@@H]3C(=O)NCC(=O)OCC)n[nH]2)c1C 1448458031 XXKJBRIACYNEAI-QGZVFWFLSA-N 444.492 0.596 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[S@](=O)CC(F)(F)F 1453316651 XMDZYCOHYPVXJR-SANMLTNESA-N 425.454 0.933 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2nc(CNC(=O)OC(C)(C)C)sc2C)CC1 1467814137 GHIOZRQZPOGDBE-UHFFFAOYSA-N 435.550 0.983 30 10 ICEE C[C@@H](CC(=O)N1CCC(CO)(NCC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1472589888 HTUPSEFCCCGNOH-HNNXBMFYSA-N 434.562 0.857 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1504993011 BWIRFIZSTPUPHD-QWFCFKBJSA-N 447.584 0.899 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCn1cc(CO)nn1 1507543722 QVEZAMIWZIVSIM-AWEZNQCLSA-N 428.522 0.902 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1508037278 AJTMAWIPGFKVDG-SJORKVTESA-N 427.571 0.540 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539751514 ORAHLXNSSYAJER-CABCVRRESA-N 434.584 0.642 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1587910004 ZRRMYUOFFOWEHJ-ZDUSSCGKSA-N 431.522 0.901 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1594813623 VIVJJBIYJCBOLP-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C)C1 1595730064 SVSJOMYFGAGQLA-ZACQAIPSSA-N 442.586 0.342 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cn(-c4ccc(Br)cc4)nn3)C2)c(=O)nc1O 1607489058 NPCHRNUUYZNRCM-UHFFFAOYSA-N 442.233 0.861 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C 1611550237 HBSLRLPMRYGIMS-OWCLPIDISA-N 438.540 0.556 30 10 ICEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1619284362 HNADKWYFYOWAOV-WBVHZDCISA-N 447.517 0.974 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCCCOc1cccc(C#N)c1 1633414103 CVRFIIDHZUCJTF-RDJZCZTQSA-N 428.445 0.802 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)C1=O 1636783467 SZSOTFFZDDXNAZ-LLVKDONJSA-N 430.408 0.724 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1648061908 BSANHTAATRMDOS-MRXNPFEDSA-N 439.559 0.931 30 10 ICEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1655005000 JOJCQSOZCGKGFG-QGZVFWFLSA-N 427.461 0.872 30 10 ICEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1673018078 GRRZJTSXJROIIS-UHFFFAOYSA-N 448.545 0.910 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)[C@@H]3COCC34OCCO4)CC2)c1C#N 1673532135 BBISQGMRXCVRAV-KRWDZBQOSA-N 432.525 0.848 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1690101005 KWGFTQXGEKBTEP-UHFFFAOYSA-N 437.460 0.634 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)CC1 1690124756 STZVCCNBTDAHTC-HXUWFJFHSA-N 429.569 0.439 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1690190008 IYAJVEUSQPCBER-RLFYNMQTSA-N 443.595 0.705 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690746599 DTZWJWOUUVEWHA-CABCVRRESA-N 425.580 0.910 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1695766462 CDVNCIQMKIBNEJ-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1695903409 SFGJRSGZJMIOAN-UFYCRDLUSA-N 447.584 0.758 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1722294883 IHZOQLUGNMGEAB-WLOOLWSVSA-N 443.595 0.370 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723580210 WZWVHHGYSBULJN-OHTQGHCMSA-N 445.524 0.946 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740960403 QVXPDXRYDUHHTP-IAGOWNOFSA-N 437.566 0.735 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748805519 TUWBPJYVBHQDSN-UKRRQHHQSA-N 441.535 0.156 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1748950871 QUPLEWWXIALJPY-OAQYLSRUSA-N 435.525 0.264 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)CC1 1748989826 QDIFPSOUDPLARH-GOSISDBHSA-N 429.546 0.992 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1760180668 JACHLPCHNFXNCP-QFBILLFUSA-N 426.539 0.592 30 10 ICEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1760224446 KYZYLXLBDUBIFS-UHFFFAOYSA-N 425.555 0.596 30 10 ICEE Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762562230 DIKXDZWRIGXVRU-HMDOMZECSA-N 442.568 0.718 30 10 ICEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1=O 1767509085 WGYNLJGPTHVPOI-ZHRRBRCNSA-N 437.504 0.909 30 10 ICEE Cc1nn(C)c(Cl)c1C(=O)NCC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851240689 CVAMVYXUWLITCO-UHFFFAOYSA-N 445.911 0.744 30 10 ICEE C=CCN1C[C@@H](C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O 1852701556 ZJXWZSBTSJRWMH-INIZCTEOSA-N 439.509 0.710 30 10 ICEE C[C@@H]1CN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1854242375 PLPOQKOGHKZTRW-VQIMIIECSA-N 432.546 0.832 30 10 ICEE O=C(O)C[C@@H]1OCC=C2CN3CC[C@]45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6N[C@H]4[C@@H]1[C@@H]2C[C@@H]35 229756363 IVEMPCACOMNRGI-RXBPGJAISA-N 427.413 0.035 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N(CCN3CCN(C)CC3)CC(=O)OC)cc2C1=O 410173297 DKJZIDFNRTZFGZ-UHFFFAOYSA-N 428.489 0.331 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1 482608845 KNGRIRZOPXCFCF-UHFFFAOYSA-N 438.554 0.610 30 10 ICEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 543659804 YWJRCUHSMKXNQY-UHFFFAOYSA-N 440.481 0.823 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 549911323 VRIKFRBBTJRGOA-UXHICEINSA-N 434.562 0.974 30 10 ICEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586863859 BZUIKFLGRIPWSN-CALCHBBNSA-N 443.523 0.962 30 10 ICEE N#Cc1ccc([C@@H](O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 781017660 DVSZAMWLPWGWCL-LJQANCHMSA-N 429.454 0.552 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O 1133009168 VSOGGQILTVHVEB-ZDUSSCGKSA-N 449.261 0.795 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)c1cc[nH]n1 1154062021 IBLVGGTYRGFYPE-QGZVFWFLSA-N 429.477 0.577 30 10 ICEE C#CCN(c1nnc(COCC)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504868 UXNGYBMJHSWPKU-HNNXBMFYSA-N 446.595 0.655 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1301568770 JTGYYOKKGAQNKH-SOUVJXGZSA-N 449.599 0.493 30 10 ICEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1320187426 QDMRXDNUAYFJAJ-JKSUJKDBSA-N 443.547 0.961 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1358918608 AJXQWTJNMBTXEQ-NRFANRHFSA-N 427.509 0.742 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C(N)=O)CCOCC2)CC1 1359029689 FHPNAFZPEARCGP-KRWDZBQOSA-N 434.541 0.039 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359046938 LITIKUIWJXUJOZ-GOSISDBHSA-N 442.564 0.691 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359056180 ZVAAXYVWUXSDDP-ROUUACIJSA-N 431.610 0.812 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 1460637461 WBQLWGRCOUHGLV-ROUUACIJSA-N 425.574 0.838 30 10 ICEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1464462340 KRWYYMSXHDQECL-MRXNPFEDSA-N 432.587 0.929 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 1469223982 ONLAHFUVUYSGHF-LJQANCHMSA-N 447.561 0.015 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCO)CC2)cc1OCC 1471151868 FOSZDPFMOOPGCE-UHFFFAOYSA-N 425.507 0.496 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1475414689 YLVZDFSYRNIFBH-RDJZCZTQSA-N 430.548 0.885 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507630839 IORBLIPIGIPLQP-QGZVFWFLSA-N 440.529 0.955 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC(N)=O 1507810275 YILHUTNOVLUJNN-KQTLUZQSSA-N 428.559 0.570 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508087817 QARKSYDMXPBYOQ-QGZVFWFLSA-N 426.525 0.953 30 10 ICEE CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516497533 UKSFXNGEYZEZDU-RQQBIWEKSA-N 429.481 0.056 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1557576820 NPVAELCRIKFMBP-QWRGUYRKSA-N 425.323 0.280 30 10 ICEE C=CCNC(=O)N[C@@H]1CCN(C(=O)CSC)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 1616125031 BOOQBTGIAVNGPC-JFIYKMOQSA-N 447.561 0.017 30 10 ICEE Cn1[nH]c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1=N 1617365498 STNHOCCWPCQSTI-QGZVFWFLSA-N 443.533 0.864 30 10 ICEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cc(Br)cc1S(N)(=O)=O 1622395938 NVSSCXLSMBGISR-UHFFFAOYSA-N 429.296 0.603 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1624629094 VTBMWKVRTRVSQR-CQSZACIVSA-N 434.522 0.499 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)CC1 1673903436 ADJSDGKHLRWNOW-UHFFFAOYSA-N 438.506 0.878 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1 1689950764 AIMQIJUFJDGHON-FQEVSTJZSA-N 432.550 0.331 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCOCC2)C1 1690687025 XSGGGFFXIPUDTL-BRWVUGGUSA-N 442.586 0.390 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705564546 PAYBSJSTIDFXBG-HZPDHXFCSA-N 449.558 0.402 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccccc2F)CC1 1705632134 ITSNATJNHHDPQB-UHFFFAOYSA-N 441.511 0.741 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722315075 IIUOAQMTGASDAB-GOSISDBHSA-N 427.553 0.777 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1722368571 SBNDPMOLYXTORH-HUUCEWRRSA-N 425.580 0.999 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722436352 DPMXJYIGYHYPLX-BWVDKLOVSA-N 439.520 0.801 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C(C)=O)CC2)CC1 1722560366 XVERVILHTDOHMT-MRXNPFEDSA-N 439.586 0.209 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)CC1 1722575011 VTTRLFFIHYMNEG-CYBMUJFWSA-N 434.588 0.182 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722725489 PFSQEWCQGUDSGE-AWEZNQCLSA-N 447.521 0.193 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCC1CC1 1723907705 AOPWDRIHZDIFOA-AWEZNQCLSA-N 445.549 0.923 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730300948 NJMWRGCVYNQCDW-HOTGVXAUSA-N 439.476 0.594 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccs2)CC1 1740706476 UQBNXLUXVPPFFO-OAHLLOKOSA-N 427.534 0.894 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749745344 ZGHWNGVAJJEYFG-CHWSQXEVSA-N 437.613 0.431 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751232609 IHTPCWSRFFGWAW-TZMCWYRMSA-N 437.526 0.951 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760190552 RWYGOIHCOSQLDT-ZWKOTPCHSA-N 431.518 0.306 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1760206274 VCDMQRVMIDZCHY-ZWKOTPCHSA-N 434.566 0.026 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCOC2=O)CC1 1760273106 IILULUIXYURKPN-QGZVFWFLSA-N 430.509 0.938 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1761500210 HHSSFPPVJNDVAU-DZGCQCFKSA-N 448.505 0.437 30 10 ICEE COCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1769372415 CPSDBAAGVQEJHS-BZNIZROVSA-N 443.530 0.981 30 10 ICEE NC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772790153 KMIGGVRCCIWCSI-CQSZACIVSA-N 435.389 0.102 30 10 ICEE CS(=O)(=O)c1ccc(CCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855029276 PMXUXSMYNDWIHT-GOSISDBHSA-N 432.546 0.681 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)CC1=O 1856791495 CPABDVJSNATALY-BBRMVZONSA-N 430.429 0.988 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4ccccc43)C(=O)C2)C1 1856871067 OBQUWSIGTPDSNC-PKOBYXMFSA-N 430.530 0.705 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1857264624 ICLSUQUSUGXBIX-HOTGVXAUSA-N 431.514 0.835 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)[C@@H]1c1ccc(C#N)cc1 1889307441 CKBNZWJNTNWEJZ-MVJTYMMSSA-N 426.498 0.683 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2255807269 QXPJZFWWPSHELM-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112940 NVPNORDDENTISI-GHMZBOCLSA-N 445.251 0.786 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267584095 BAMIJQAVKXKVPZ-CABCVRRESA-N 448.329 0.876 30 10 ICEE CCCc1nn(C)c2c1N/C(=C1\C=C(S(=O)(=O)N3CCN(C)CC3)C=CC1=O)NC2=O 199320004 KAEICQYZBAMCKD-RGEXLXHISA-N 446.533 0.340 30 10 ICEE in-vitro C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 482073158 JLHRNZBDVMNCEB-HNNXBMFYSA-N 443.533 0.430 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1ccccc1C#N 549550851 NFAKSHGOBKQNNV-UHFFFAOYSA-N 448.508 0.253 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 751925416 DSQFQMVVDXRWPE-TZMCWYRMSA-N 436.538 0.224 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1cc[nH]n1 799088518 ZHUGDYBHDXJPPC-WMLDXEAASA-N 427.461 0.999 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 800780478 WGYIWEOYYSDCCE-CABCVRRESA-N 442.542 0.512 30 10 ICEE Cc1ccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1S(=O)(=O)NCC#N 856610330 XQEUPCKZAOEUIW-ZWKOTPCHSA-N 441.513 0.788 30 10 ICEE N#Cc1cc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)co1 1141241439 COEPXRVXOSUYSE-UHFFFAOYSA-N 431.474 0.530 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1 1154355462 MQCBTFXROQCVTE-QRVBRYPASA-N 447.557 0.870 30 10 ICEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1197701277 GNXSXTNTELLZSA-QGZVFWFLSA-N 433.530 0.636 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286607564 ICJQYFYPGRMXMA-DOTOQJQBSA-N 425.555 0.830 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286779103 NSGFTAVIMKQTKL-OAHLLOKOSA-N 433.513 0.531 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286785322 DDMDHTRCCMPZIV-KGLIPLIRSA-N 432.481 0.548 30 10 ICEE COC(=O)CN(CCN1CCOCC1)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1292907789 JHLMOJDECGJKQC-UHFFFAOYSA-N 437.537 0.971 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300504596 ONPNWWBTZQGZTB-HNNXBMFYSA-N 444.579 0.266 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1300671478 JPFTYRTVYNCLTM-QZXCRCNTSA-N 430.596 0.813 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnn(C)n2)CC1 1300685410 MTWZZVHEAGETPN-UHFFFAOYSA-N 431.302 0.363 30 10 ICEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1316361394 BFDJVNHAISSNLM-ZRBXUZRCSA-N 427.552 0.210 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CCN1C1CC1 1316539966 IRUMSUPOOFZKBL-HIFRSBDPSA-N 444.508 0.638 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358962040 JDARJBMZAPRYFR-MSOLQXFVSA-N 448.593 0.732 30 10 ICEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCNS(C)(=O)=O)CC1 1359038865 NPANLXCMSVJZIK-UHFFFAOYSA-N 446.577 0.860 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359044847 PVUCJJLXZNKMRK-LSDHHAIUSA-N 436.463 0.619 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@H]1C 1359113985 VGKROIVVZIHHSO-BXWFABGCSA-N 443.570 0.553 30 10 ICEE COC(=O)Cn1ncc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc21 1463124994 RXVQVCAQSYIRCO-UHFFFAOYSA-N 427.442 0.887 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C[C@@H](C)O1 1479157991 GBCOSVMEVVMUNZ-GQIGUUNPSA-N 447.561 0.707 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1507658393 JIKQVVJPBJSWFJ-VJANTYMQSA-N 448.527 0.686 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508083042 ZUOGEAQWRKWOQY-UHFFFAOYSA-N 442.524 0.160 30 10 ICEE Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511840324 ZRXUHOMYYAWJMQ-FMQUCBEESA-N 429.525 0.662 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539125537 NXCMVHGVJUPDNO-MRXNPFEDSA-N 445.549 0.719 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539215878 KUFVAIZMTYBTMU-INIZCTEOSA-N 426.506 0.649 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1539323788 LLRXPYRMCVTBLQ-INIZCTEOSA-N 438.575 0.610 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)CC1 1539459826 OZAZRGABIMKAHH-UHFFFAOYSA-N 427.553 0.558 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1540201684 YKQHKVALOQNQGE-HNNXBMFYSA-N 434.522 0.361 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1540874854 UHROOTLMTNMZDH-UHFFFAOYSA-N 429.525 0.828 30 10 ICEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1554361681 RQOHEZWMSUMCRX-VZCXRCSSSA-N 446.471 0.622 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587766467 VKLXEXKVXBZKDE-JKSUJKDBSA-N 438.554 0.081 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)CC1 1588199092 HGMWMGFCSZPTMZ-DGCLKSJQSA-N 434.444 0.416 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1588233084 ATLXTUXHGUWZBF-MOPGFXCFSA-N 448.593 0.558 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2CCOC[C@@H]2C1 1595811794 AXWUZZADDXLUFM-SFHVURJKSA-N 432.550 0.386 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cc[nH]n1 1626084479 ZJABMKKGBDGVJX-OAHLLOKOSA-N 443.460 0.490 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CCOC)c2)CC1 1690110199 BYRQKEPQEHATON-UHFFFAOYSA-N 449.519 0.572 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1690131013 QSMZRHKPLWUQOC-UHFFFAOYSA-N 428.562 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)O)CC1 1690139863 CFNANHOPVYYYDX-UHFFFAOYSA-N 449.519 0.658 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1690609151 FGQDXFMPPWFTDP-MRXNPFEDSA-N 425.555 0.978 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCOCC1 1692779585 BRDHIBOJZZZQCS-YJBOKZPZSA-N 443.549 0.443 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)cn1C 1693372184 DBEQQAYCSHYLDA-UHFFFAOYSA-N 430.494 0.652 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1705551166 IEQRRUKSGDRCKP-YJBOKZPZSA-N 431.518 0.857 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1705620756 FPHMLDPRRZGKEF-UHFFFAOYSA-N 437.566 0.958 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(C(N)=O)CCOCC2)CC1 1705648053 PYAKDGDYJDKOQY-UHFFFAOYSA-N 428.537 0.794 30 10 ICEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1705900816 QSXZGCYOXVOBHV-GOSISDBHSA-N 437.504 0.690 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC2(CC1)CNC(=O)C2 1705932410 SXPZBAKORIUZJI-UHFFFAOYSA-N 432.550 0.991 30 10 ICEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1706958764 CMJPEAWEHMTDNQ-OXQOHEQNSA-N 447.517 0.883 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1710991490 XQCLFVXTIQBPQY-UHFFFAOYSA-N 434.504 0.987 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1722365911 FVQBWXQKQCXYLH-UWVAXJGDSA-N 437.566 0.213 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)CC1 1722438016 YDZVHWCEDUNRNF-HNNXBMFYSA-N 427.475 0.869 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCSCC2)CC1 1748979395 YQDRTOAXALBSTI-OAQYLSRUSA-N 434.610 0.734 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749677807 LHAVGQPBISRRCL-QGZVFWFLSA-N 428.493 0.419 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1760189629 QHDWTKBBEXIVSR-OAHLLOKOSA-N 439.563 0.345 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1760516404 MOHDCBRRBGLAEG-CYBMUJFWSA-N 428.559 0.584 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1769089978 CZVPRSVNJZJWBN-HNNXBMFYSA-N 446.533 0.850 30 10 ICEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(C(C)=O)CC2)cc1=O 1870388091 HMIVGIMLARGURU-UHFFFAOYSA-N 434.518 0.773 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255616802 RGAAZHPNRKPAHP-CYBMUJFWSA-N 436.318 0.763 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)CC1 489266961 PEKLYIKRPHZZIZ-UHFFFAOYSA-N 429.521 0.919 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 520185935 XUUOGJRRRNCIRS-DNVCBOLYSA-N 431.514 0.664 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 541289150 ZPLXKNUYVWDOKJ-UHFFFAOYSA-N 443.554 0.833 30 10 ICEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 582518702 XBKDMTNGAGLFRG-UHFFFAOYSA-N 427.486 0.783 30 10 ICEE COc1cc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)ccc1C 732465559 GXYFWJXRWPNRBF-VXPUYCOJSA-N 441.488 0.997 30 10 ICEE CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1=O 760797683 ZCBNYSCOEZJSBW-UHFFFAOYSA-N 430.490 0.514 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 761713925 OHFFXNNKRXPMOD-UHFFFAOYSA-N 438.531 0.330 30 10 ICEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1 782245340 OZOGWGDUJFAWGS-KRWDZBQOSA-N 425.466 0.667 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286389599 MXYJTMZVQICQHH-KBAYOESNSA-N 432.550 0.856 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286790024 ZDWWRDUIXXCBPU-UHFFFAOYSA-N 433.520 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1286815958 BLBXKUFSDDPCFZ-UONOGXRCSA-N 449.599 0.493 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300499620 VQMWRUFWCPBTBO-GOSISDBHSA-N 429.546 0.940 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1300539055 XCQRLDUVTXICDZ-ROUUACIJSA-N 436.582 0.414 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300545313 NSSSQSFCWSJFQY-SFHVURJKSA-N 447.547 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)CC1 1300712445 SNJNUGKMDZHMEM-CQSZACIVSA-N 449.537 0.199 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1301481957 RAJAEGKZYIWRBA-YOEHRIQHSA-N 446.483 0.811 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)n1 1304764651 YASZZQDTLHNBLZ-IBGZPJMESA-N 428.541 0.981 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 1312050517 CMYXYUZDTDQDIQ-MRXNPFEDSA-N 439.925 0.240 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1314869824 HQENHQAWOHEFCN-UHFFFAOYSA-N 449.519 0.738 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)COc1cccc(Br)c1C#N 1461961237 JHXZNSAHOBWJTI-NSHDSACASA-N 432.296 0.476 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)cn1 1468862326 GYSBRPSVTKFEFW-GOSISDBHSA-N 436.538 0.273 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1472383172 CUJMAJCEHOOZPL-UHFFFAOYSA-N 425.528 0.903 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507590507 CFSVJATYTSMHGU-PMACEKPBSA-N 443.596 0.874 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507751148 KPLASNWQXZTTMB-IXDOHACOSA-N 440.591 0.931 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508072112 DXLXCHNMLQHUGJ-QGZVFWFLSA-N 449.556 0.642 30 10 ICEE CN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1517197825 IUMLRVSHAMVRDD-OHTQGHCMSA-N 434.522 0.553 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCn2cnnn2)c1 1539043241 OIRZHCUHTCDKJV-KRWDZBQOSA-N 435.492 0.915 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C)C1 1540869020 ZLDPHBDYYJFEOD-AWEZNQCLSA-N 433.538 0.766 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1541096331 UWTKWWUCGNBOQE-OAHLLOKOSA-N 425.493 0.922 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)c1 1557975266 AOOVTEJMDYTNHR-UHFFFAOYSA-N 427.490 0.799 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 1558073691 XNNLIZHKQQSFTG-UHFFFAOYSA-N 445.549 0.050 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588049818 LOHKJXXONJDGEY-OXQOHEQNSA-N 431.518 0.427 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1588387099 RLGODLATQMKSNI-INIZCTEOSA-N 425.555 0.887 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595467435 UGTNUUAOWAWUPZ-QGZVFWFLSA-N 442.524 0.611 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@H]2C)C1 1595674830 VAHZXLCWRJASMJ-AFIMGQEJSA-N 429.543 0.210 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1627517294 DDPONDQIFNQGJG-PBHICJAKSA-N 444.517 0.380 30 10 ICEE C#CC[C@H]1CCCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)C1 1639870366 XDFKPRYXRHFXMG-INIZCTEOSA-N 447.536 0.963 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 1644281847 NSGHRKKLOPGVAL-SFHVURJKSA-N 432.546 0.577 30 10 ICEE C#CCC1(O)CCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1644292618 VERJYNGOAMVNFZ-MRXNPFEDSA-N 449.552 0.549 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1649557313 FXFOTWIOPIUUNS-JYTLGYECSA-N 429.481 0.323 30 10 ICEE C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1683834231 QXVONEJTCKUQAU-HOCLYGCPSA-N 440.547 0.540 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CC1 1690125006 YNJNUZQIDWWUIG-SFHVURJKSA-N 446.533 0.095 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705564532 BNPNHYJRJIGAFF-RDJZCZTQSA-N 445.549 0.255 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1705901641 ROQVMLPWRYKZSU-OAHLLOKOSA-N 443.508 0.661 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705922155 HJANZDBDZNDDIM-DOTOQJQBSA-N 435.554 0.741 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359342 RYUQJKGNAFJJCJ-INIZCTEOSA-N 437.566 0.738 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722362309 NAWKFUHVTANKBH-CQSZACIVSA-N 436.925 0.756 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1740725179 ILJDCQNSXXCFPH-RVHYNSKXSA-N 430.509 0.911 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740950660 BXNKXKMZGBIWOZ-UHFFFAOYSA-N 445.568 0.900 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740963661 STIYNLYIZRPSDI-INIZCTEOSA-N 426.525 0.950 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)C 1743234790 NKLCPWPGTLOHMW-JKSUJKDBSA-N 439.524 0.637 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1748841333 ZAUXBNFYTVUKSW-UHFFFAOYSA-N 427.534 0.836 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749228968 GEVKCJGNWPTBJG-CABCVRRESA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749663848 SBEFBMOWQNAOQH-INIZCTEOSA-N 440.552 0.375 30 10 ICEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1O 1750336018 NZWLLCRKGPNJJP-QAPCUYQASA-N 445.545 0.964 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1760117664 RXJFQLICMJFAFF-NVXWUHKLSA-N 447.565 0.578 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCS(C)(=O)=O)c1 1760126295 UEGFXCMJLJUSGX-UHFFFAOYSA-N 439.501 0.836 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(C)C)CC1 1760269141 ZQFMBQHDVCIJAA-GOSISDBHSA-N 429.569 0.925 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1760521072 IYRLMKQCZJDIRG-ZDUSSCGKSA-N 430.465 0.697 30 10 ICEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1771468394 SLMFONMYINYOCB-HUUCEWRRSA-N 444.583 0.483 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1OCCC 1865722732 YUAKIDNYMRSUOG-HNNXBMFYSA-N 426.473 0.870 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267215327 CLAAGMKOVNNQSZ-LSDHHAIUSA-N 448.329 0.876 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 509010277 IGJRDBIZQHOMQD-CABCVRRESA-N 437.526 0.872 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574144784 ODCHIXWZQLHWRJ-QZTJIDSGSA-N 433.534 0.725 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 582015527 BAYFNNNUTAEERO-HNNXBMFYSA-N 428.559 0.396 30 10 ICEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707374 ZDFNTQKWLNJKSI-CQSZACIVSA-N 435.506 0.083 30 10 ICEE CCN1CCN(c2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 737305282 GJMQMTXSOPHQNV-VXPUYCOJSA-N 440.504 0.410 30 10 ICEE CCc1c(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754344973 GAKYCEMROZSOOH-UHFFFAOYSA-N 435.440 0.539 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 774234318 HAZWQJXMKSCGJG-RDTXWAMCSA-N 435.502 0.641 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)C1=O 807731888 CYOFTDMMUMEKSV-LLVKDONJSA-N 430.408 0.676 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2nc3cc(C(=O)OCC)ccc3n2CC)CC1 808741358 FFIXOGWTJUNRIR-UHFFFAOYSA-N 433.534 0.818 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 810646339 PUVZZIIVRYAQFC-LLVKDONJSA-N 439.342 0.921 30 10 ICEE O=c1c(/C=N\CCCN2CCOCC2)c(NCCCN2CCOCC2)nc2ccccn12 1080594078 ZMXIMAGIPWQORV-CLCOLTQESA-N 442.564 0.970 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 1128030668 PNXLWCHYNKMAEA-UHFFFAOYSA-N 425.532 0.510 30 10 ICEE C#CCN1CCC(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1155874405 XWGJGJUTVBUOST-FOIQADDNSA-N 425.551 0.482 30 10 ICEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1n1cccn1 1251157143 VVPHPSKKQIJCHG-OAGGEKHMSA-N 427.465 0.781 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1286282550 OANPXKZPRDIROA-JLTOFOAXSA-N 434.518 0.970 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286358384 KIVKBKMZBZMWQP-UHFFFAOYSA-N 430.534 0.882 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1286383686 YVTMNPQQZQTOPD-INIZCTEOSA-N 448.553 0.115 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286785796 IVNHYGLINHMIPK-LSDHHAIUSA-N 428.497 0.682 30 10 ICEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)CCC2 1290288153 XUZPWQVPUBJMEL-JYJNAYRXSA-N 448.553 0.700 30 10 ICEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1298064968 DGFWBGAGTINFHN-NDEPHWFRSA-N 440.543 0.776 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CS(C)(=O)=O)c1 1300430197 JHIVORAINODTLE-CQSZACIVSA-N 439.563 0.551 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CC1 1303860553 BHWYJVFZCDIQTC-CQSZACIVSA-N 430.538 0.892 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312469768 QDPQOIPFLNYLQD-KFWWJZLASA-N 429.543 0.716 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1358949243 WOIMUTVJWMFZRP-GOSISDBHSA-N 432.550 0.817 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 1470306642 AFTZFVSLRCHPOB-HNNXBMFYSA-N 431.559 0.475 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1505136584 CZWXFRIIMPVRLA-KSSFIOAISA-N 439.517 0.238 30 10 ICEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507566010 GDZSWJHLGSRTFT-UHFFFAOYSA-N 435.532 0.995 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507723523 LDAFXNISTOAJGS-JKSUJKDBSA-N 439.486 0.869 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507957070 CUECXAOWSVYQLO-MELADBBJSA-N 429.499 0.595 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1508037275 AJTMAWIPGFKVDG-IAGOWNOFSA-N 427.571 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508141086 LDCUYBOXKHHMMH-DNVCBOLYSA-N 425.555 0.735 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1509948618 BCAONKVAXBTXLU-KLHDSHLOSA-N 426.543 0.774 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1COCCO1 1519285698 SDSQUUWOFCSSPN-RHSMWYFYSA-N 444.492 0.952 30 10 ICEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1548127820 DBLCTRQPPDRBLB-INIZCTEOSA-N 427.462 0.364 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588074297 LYLSKTRKHUHALP-QZTJIDSGSA-N 443.529 0.904 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1594784202 ULTIUIGJJWHFOA-BXWFABGCSA-N 443.570 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(F)(F)F 1595798388 OUMLROPOPWCMFG-LLVKDONJSA-N 430.474 0.780 30 10 ICEE CCOC1CC(O)(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1616581081 KIIAVHRYFHJXDS-HPAHXVRCSA-N 435.525 0.977 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1618508443 SPXWZHXVQIBFIB-IAGOWNOFSA-N 440.504 0.949 30 10 ICEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1634848685 YPNDQHTZVPXCMF-UHFFFAOYSA-N 426.498 0.993 30 10 ICEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2=O)C1 1648368011 MCHWTPSLYNMCDA-INIZCTEOSA-N 441.488 0.624 30 10 ICEE C=CCn1cc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1666514577 JQNMIDCSUHGJTC-UHFFFAOYSA-N 436.494 0.815 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3CCCS3(=O)=O)CC2)cc1 1675616847 DNXPZBRWNRHIDA-MRXNPFEDSA-N 440.547 0.541 30 10 ICEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689924480 JAFJUENCUVYYOK-QGZVFWFLSA-N 445.549 0.779 30 10 ICEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1689947123 AYGNAPLJMOUNEC-IBGZPJMESA-N 426.539 0.328 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1697048449 FHMUUUBRAQUDOZ-QGZVFWFLSA-N 447.517 0.877 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705886912 HNGAJMMQHNSTSQ-IAGOWNOFSA-N 425.603 0.679 30 10 ICEE C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CCO1 1708209660 DCSFNPHONCHHLA-XJKSGUPXSA-N 436.494 0.349 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1722369689 DRNBXRYNSHSSCK-BZSNNMDCSA-N 448.549 0.595 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)C)CC1 1722435078 BENHVQALCATCJQ-UHFFFAOYSA-N 448.535 0.448 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740600303 KOMXPGXSQBKUQD-UKRRQHHQSA-N 436.513 0.441 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740615773 KVNFWRNGGVJGQV-QGZVFWFLSA-N 445.549 0.406 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1740640300 KHTKLUHWLMKXLR-MSOLQXFVSA-N 434.566 0.168 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740720461 ZHXXGEBOPSXJET-MRXNPFEDSA-N 435.575 0.394 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1748671985 OZMKDBCRTBCAEB-CVEARBPZSA-N 442.611 0.118 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1749590243 UTYRSVGLMCEGPI-UHFFFAOYSA-N 429.481 0.423 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760154783 INOHPZYDYVFPJF-SJORKVTESA-N 438.554 0.129 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1760235815 YHZWXSXBLXJRDD-QGZVFWFLSA-N 436.538 0.918 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760440512 LLVCOISGAYVMLH-SJORKVTESA-N 437.566 0.974 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1764675684 FBYFCLIQPLIFGE-CHWSQXEVSA-N 438.558 0.837 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCN(C[C@H]4CCS(=O)(=O)C4)C3)CC2=O)c1 1856403520 VLYOBVXZUNDSGG-IEBWSBKVSA-N 430.530 0.352 30 10 ICEE C=CCN(CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2210482191 MQOMNZZOXCJASP-IIAWOOMASA-N 429.514 0.867 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247950366 ATLZRBLQAUPILJ-OLZOCXBDSA-N 442.347 0.663 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CC(=O)O)Cc1ccccc1 2248583676 PQGTVRNZLWFRGO-UHFFFAOYSA-N 435.311 0.995 30 10 ICEE Cc1ccc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)n2N)cc1 20917733 RNKCENOKSTZYSM-UFWORHAWSA-N 426.466 0.171 30 10 ICEE COc1cccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72443903 CFZLZEOKYGWDDI-JSGCOSHPSA-N 438.444 0.410 30 10 ICEE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@H]3CCCCN3CCO)nc2)OC1(C)C 204881795 AOKBDZNDZCPHKM-MRXNPFEDSA-N 425.360 0.786 30 10 ICEE C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 533223923 AQWORHWFIFXBSZ-HZPDHXFCSA-N 442.545 0.989 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)C1=O 535856692 OATYBJBOUDIUDS-CJNGLKHVSA-N 436.827 0.844 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)n1 546220613 PUDASJCSGLICCX-UHFFFAOYSA-N 428.518 0.904 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806054 UKRBIBKHCFINOH-ZOBUZTSGSA-N 439.586 0.063 30 10 ICEE Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cccc(C#N)n3)CC2)c1=S 760552286 PTHPRZLUHIBKSF-OAHLLOKOSA-N 447.590 0.975 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CCc2nnnn2C)C1=O 771548205 LOSPSFSBKTWBOV-AWEZNQCLSA-N 433.494 0.538 30 10 ICEE C=CCOCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 779756779 VCUNGGXQVBFNNC-OBAOGOGRSA-N 440.547 0.473 30 10 ICEE N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 781974157 JKIYMRWAXUNLNN-NUJGCVRESA-N 438.937 0.663 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1208474050 OEGAGBKCGLKXGK-AWEZNQCLSA-N 428.532 0.735 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286323976 KMQUWRDDEBLTTL-QGZVFWFLSA-N 429.525 0.607 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)CC1 1286472017 CNNAFTDBBVMLMK-QHCPKHFHSA-N 446.596 0.796 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC(C)(C)C2)CC1 1286483667 SPVXGFLCNLMBLG-UHFFFAOYSA-N 429.569 0.267 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1288826346 QWSVNUHTFMJZGV-JKDFXYPNSA-N 427.506 0.245 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1302233681 DBZMODXBXWNWDG-YUELXQCFSA-N 427.548 0.976 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(F)(F)CO)CC2)CC1 1307886413 ADRFIKMNNMEKQK-LJQANCHMSA-N 439.482 0.780 30 10 ICEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1321878803 SWNWUAXNXPNVHT-UHFFFAOYSA-N 429.502 0.979 30 10 ICEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1330173924 IFKPCECOKAAYBP-JGWKNBOWSA-N 426.539 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335749 UAUQOATZUDIDCZ-IBGZPJMESA-N 441.554 0.198 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1360684154 LFLVLWQLCPLREM-UGSOOPFHSA-N 441.533 0.637 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 1464343803 WBKNHNDDNHZUQE-VHAMKEJYSA-N 428.536 0.910 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1507616694 MFJYHFXOKGNURI-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1507742515 KPPQDAWADDBGHJ-UHFFFAOYSA-N 430.553 0.725 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507868421 JQCMQPWQRDGEFN-GFCCVEGCSA-N 442.929 0.453 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1508138279 ZZDSDZIAMQHZRG-UHFFFAOYSA-N 435.554 0.736 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539428765 WMCMEKHWYDSFTN-UHFFFAOYSA-N 442.612 0.295 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540877226 OBAYUIFWHBXODM-OAHLLOKOSA-N 428.497 0.557 30 10 ICEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1548270851 SZAPOCYMGNIMAB-GJZGRUSLSA-N 425.497 0.642 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1588574256 BKUISHOEVWXQDB-CVEARBPZSA-N 425.555 0.791 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)CC1 1588742990 WJAJIBCGZPABQP-INIZCTEOSA-N 444.561 0.722 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)COCCO2)CC1 1588930114 NXBJWVQGLPCZRC-AVRDEDQJSA-N 431.537 0.943 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595556680 YYFVUVMREOKOAL-INIZCTEOSA-N 433.534 0.803 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1595603039 WBIZWJZLGSAJMZ-IERDGZPVSA-N 432.525 0.434 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccn(C)n1 1618439193 HQCIOVZALRKSKT-CQSZACIVSA-N 432.506 0.772 30 10 ICEE N#Cc1ccc([C@H](C(N)=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1620450860 IATMBZIAMGGICI-HXUWFJFHSA-N 427.530 0.681 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1 1622886853 WEQWQIHPGCHCRB-INIZCTEOSA-N 436.534 0.988 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2F)CC1 1635993697 QZIMXTGAUXPKCE-UHFFFAOYSA-N 429.233 0.938 30 10 ICEE N#C[C@]12CN(C(=O)c3ccccc3NS(=O)(=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1639822214 WKZFXMAJDPBHQX-IINYFYTJSA-N 437.421 0.958 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1689831958 USENDGYHULNRSV-HNAYVOBHSA-N 426.539 0.328 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705532909 SCJNNKCNRSHHTM-CABCVRRESA-N 429.568 0.112 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705571894 KKHDDBKFNQFHML-DOTOQJQBSA-N 447.517 0.666 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705637758 KNLXJQCPQVJNLB-GOSISDBHSA-N 448.506 0.974 30 10 ICEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705799885 JBPYFGDNBLODQJ-CABCVRRESA-N 425.559 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC2(C)C)CC1 1722437543 OKFSOAVAYZHRLK-IAGOWNOFSA-N 436.582 0.412 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722528088 CVACBEGYPJUUBE-YESZJQIVSA-N 443.570 0.865 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740627618 RNDGNJJIWDTQFA-QINHECLXSA-N 434.518 0.909 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1 1740731980 NNNNHYTVOBZRHO-VQIMIIECSA-N 448.553 0.285 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C(C)=O)CC2)C1 1740970541 NLUSJUXEKFQRLQ-LJQANCHMSA-N 445.568 0.460 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748801902 IYBUEADWHLXYFZ-QGZVFWFLSA-N 436.582 0.481 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748820144 ZPYKCIULZKZMSE-SFNQZPIRSA-N 447.586 0.802 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749744217 HACKNHOQTRQJHZ-OLZOCXBDSA-N 430.556 0.448 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1760225278 MMXITYKWPKQNRU-AWEZNQCLSA-N 429.510 0.372 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760556589 IYTCMXJUHWCICJ-FQEVSTJZSA-N 432.550 0.827 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1772660165 JDTCENBHXMHJCX-CQSZACIVSA-N 447.517 0.942 30 10 ICEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCOCC2)cc1 1850020098 TVVXUTPDZUZSAR-FQEVSTJZSA-N 435.546 0.690 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCCO3)C(=O)C2)C1 1854355483 ZDDXPQRPDAWWSQ-IRXDYDNUSA-N 432.502 0.171 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCN(C[C@H]4CCS(=O)(=O)C4)C3)CC2=O)c1 1856403521 VLYOBVXZUNDSGG-MJGOQNOKSA-N 430.530 0.352 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)CC1 1891063312 MGQJAOQFCZKSMA-UHFFFAOYSA-N 426.561 0.604 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247875695 ASDARJHTPSSZGI-MNOVXSKESA-N 443.335 0.058 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267162462 PCZQRGAVLFQBBU-HUUCEWRRSA-N 448.329 0.876 30 10 ICEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267546617 ZENYDBLYBHAOCV-WDEREUQCSA-N 445.251 0.643 30 10 ICEE C#CCN(CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 250652403 MOKUSBOWKUUINQ-ZWKOTPCHSA-N 430.592 0.457 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 440391483 ZAWPCJGOWFVOAN-OAHLLOKOSA-N 440.525 0.825 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)N[C@@](C)(C#N)C4CC4)CC3)C2=O)n(C)n1 506679536 QSEJBWNKBGOXTB-GCJKJVERSA-N 427.553 0.650 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOCC)C1 508913514 OXBCLLJXDMCHBE-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 532976652 JNTCLFDJUJMEJD-CVEARBPZSA-N 449.577 0.980 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 576365560 YGTBTJMSRSXEOO-AEFFLSMTSA-N 449.581 0.990 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@H]1CCS(=O)(=O)C1 729332471 YQMGITDXAGWBFN-AWEZNQCLSA-N 444.506 0.109 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C 729669951 XYXIDPGNFIGCLR-AWEZNQCLSA-N 437.525 0.764 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1=O 799941520 WSNJJLUGOCAYJV-QGZVFWFLSA-N 426.521 0.914 30 10 ICEE C#CCNC(=O)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919208212 YDLRKYNPEZGFIB-UHFFFAOYSA-N 431.264 0.095 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)Cc1ccccc1 1286360725 IZYCYTUWLQHWMJ-OAHLLOKOSA-N 439.563 0.573 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286389028 DPSIYDSIOINXNN-HOTGVXAUSA-N 444.517 0.308 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286396227 WFTOZFNANOYELC-RXVVDRJESA-N 447.561 0.678 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1286437888 SOEVUJQPNXZPKV-LJQANCHMSA-N 425.555 0.814 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CC[C@]2(CCOC2)O1 1288773650 PWODJTUVMOIUEO-LDDOYCOJSA-N 426.543 0.965 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300480091 XSZCWQFPEMXFLU-GOSISDBHSA-N 444.561 0.989 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1300663437 BTKUJOPSXPOORP-MRXNPFEDSA-N 438.488 0.693 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1302478747 FONAQQRUFQGHPS-QGZVFWFLSA-N 449.581 0.955 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959540 LDWRXAVYEWGEGI-AWEZNQCLSA-N 436.925 0.708 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1358979835 YZWMIKXWDPXTTR-KRWDZBQOSA-N 448.574 0.691 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)C)CC1 1359038415 VOMUUHUJFMOHSW-UHFFFAOYSA-N 443.577 0.797 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(=C)C 1540870981 AZHJTPPVAPGWQF-OAHLLOKOSA-N 426.543 0.316 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595569365 FYTQEEUFGQIDEL-QZTJIDSGSA-N 445.568 0.250 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1595788936 LFOXNRYSZMDVGW-OAHLLOKOSA-N 438.554 0.135 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 1615208671 DOUDVYLKLILSFI-QFIPXVFZSA-N 436.553 0.592 30 10 ICEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618172049 XZJQUWQEZKWHBD-QIIPPGSGSA-N 425.532 0.774 30 10 ICEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1619600677 BIEMDBFTQXXQLK-SJORKVTESA-N 440.508 0.484 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1619623343 XLVQAMNDSJHNSE-DVOMOZLQSA-N 434.469 0.037 30 10 ICEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1642712512 FKQGJXARLPWCKM-CYBMUJFWSA-N 431.518 0.986 30 10 ICEE C#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1660776893 SHRJMFYXJUZREQ-UHFFFAOYSA-N 434.543 0.493 30 10 ICEE N#Cc1cn(C2CN(C(=O)NCC3(n4cc(Br)cn4)CC3)C2)c(=O)nc1O 1675826246 LEHCPYBUWGMNMY-UHFFFAOYSA-N 434.254 0.535 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 1683398343 CAAWIZUQOPFGQN-GJZGRUSLSA-N 431.559 0.473 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689980740 WQCLGZSZJCNJIF-BZUAXINKSA-N 428.580 0.853 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1690671063 OIJBZRPHDWYBLL-KRWDZBQOSA-N 448.549 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690726889 PLUZCWDIPYIMBF-HOTGVXAUSA-N 433.490 0.979 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1696624050 GZCAKMHSGDXBFS-KRWDZBQOSA-N 443.533 0.901 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1698317774 QGORZXZMTSCOKW-FQEVSTJZSA-N 443.533 0.615 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705559530 BYQMQALDWAGFQL-YHUYYLMFSA-N 443.595 0.732 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705566942 RYDKCRGMVLMMIE-ZACQAIPSSA-N 435.550 0.815 30 10 ICEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1705567392 XRWRIGFFYGQWOE-KRWDZBQOSA-N 443.529 0.695 30 10 ICEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705733977 ZCYKUVXNBNJMDT-KRWDZBQOSA-N 440.504 0.693 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1722345742 RPXDWEYJOIDGND-INIZCTEOSA-N 432.550 0.843 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN(C)S(=O)(=O)CC)CC1 1740695185 IDOVWFAFZZGQJG-UHFFFAOYSA-N 431.566 0.767 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740960210 NHMNMWUEPKLNRW-OAHLLOKOSA-N 430.488 0.730 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 1749143113 COQMUDWIMOQNFO-CQSZACIVSA-N 449.599 0.230 30 10 ICEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCNS(C)(=O)=O 1749633534 GFCYPUFCKVABIF-UHFFFAOYSA-N 427.556 0.410 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)C)CC1 1760256134 DGFLZHOHZXJLTE-QFIPXVFZSA-N 432.569 0.989 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1760526861 IGIONAWQMJAKJR-UHFFFAOYSA-N 433.557 0.250 30 10 ICEE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NCC#CCN1CCOCC1 1851728655 OTDWCZRCQNSLFQ-UHFFFAOYSA-N 428.514 0.729 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2=O)CC1=O 1853897873 XCXVLFDFGBTPCO-OAHLLOKOSA-N 439.921 0.875 30 10 ICEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CSCCO 1870258966 KYPBTMQADMWLJP-UHFFFAOYSA-N 444.517 0.754 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2064131970 GLCRYFGFEAHLEH-MUGJNUQGSA-N 444.532 0.954 30 10 ICEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255624914 JZOJXVQQDZZTIS-UONOGXRCSA-N 436.318 0.429 30 10 ICEE C=C[C@]1(CO)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286050284 ZZKXIOAOZKXDDA-APWZRJJASA-N 442.490 0.034 30 10 ICEE O=c1c(Cl)c(NN=Cc2ccccc2S(=O)(=O)O)cnn1[C@H]1CCS(=O)(=O)C1 2322614662 MHUZAMXZNXIDOQ-NSHDSACASA-N 446.894 0.949 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3CCOC[C@@H]3C2)CC1 541701401 RDPIRVXKODOANS-INIZCTEOSA-N 426.477 0.471 30 10 ICEE CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920275 GKHAYEPBFIDTJV-SFHVURJKSA-N 448.545 0.809 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2SC)CC1 680938666 MBDJPPIVFMVIBW-UHFFFAOYSA-N 433.578 0.725 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758089670 NDHBRATZMJJDRP-UHFFFAOYSA-N 444.520 0.686 30 10 ICEE CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(CCc2nnnn2C)C1=O 771542783 KVHAVBXRYNUXBK-HZSHHLKBSA-N 444.565 0.715 30 10 ICEE CS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 774243880 SUJBEJRKMPUAIT-ZDUSSCGKSA-N 425.898 0.849 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 786487393 BDPYOZLQIPXHFD-DZGCQCFKSA-N 429.520 0.440 30 10 ICEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 804388658 YDUYICKEKHKVKM-CYBMUJFWSA-N 430.486 0.969 30 10 ICEE CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937460 DJLBKCCERZZNHD-WKXWHFSRSA-N 446.501 0.924 30 10 ICEE CC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1ccccc1O 1083975683 GXEQACOHXXESLI-UHFFFAOYSA-N 427.450 0.771 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286386205 WJVROEJLFPPKHC-ZQDZILKHSA-N 429.568 0.171 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286396626 QSTUJSGTODBSSX-KRWDZBQOSA-N 445.549 0.232 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@H]2C)CC1 1286490493 WRKZCYHZRYPYFL-QGZVFWFLSA-N 440.552 0.365 30 10 ICEE CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1295809737 AOHWNMLKMBSFOE-GJZGRUSLSA-N 446.599 0.590 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1298101409 ADCCVHQDNOGHFT-CQSZACIVSA-N 434.478 0.294 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1301258421 RXKAUTDLKUEUFO-MRXNPFEDSA-N 440.570 0.624 30 10 ICEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358904183 YDYWOJGTDJPCES-MRXNPFEDSA-N 429.525 0.147 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)CC1 1359028984 LJOTWJNDWXARPN-CQSZACIVSA-N 438.504 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1359043214 LUGBLRQKNIHUPC-UHFFFAOYSA-N 429.488 0.959 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1359052698 NHAZPXVWPXPMAV-UHFFFAOYSA-N 437.533 0.989 30 10 ICEE C=CC1(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1442994300 POGQMLHZHDFQMQ-JKSUJKDBSA-N 443.566 0.414 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1503672021 FBSCYILRDRMTKU-FOIQADDNSA-N 444.517 0.556 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)CC1 1507715684 GVZOVDPDCVWRDZ-UHFFFAOYSA-N 431.522 0.115 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539705494 WXALXHWJOSGHTH-MJBXVCDLSA-N 427.483 0.301 30 10 ICEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 1544542105 KMHPESTWUUBCTJ-UHFFFAOYSA-N 426.926 0.321 30 10 ICEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548274497 FEUKKKBZCODAIA-UHFFFAOYSA-N 441.540 0.677 30 10 ICEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1555837461 VQVIBSJODCDBDV-BBRMVZONSA-N 425.518 0.715 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1557385930 MOSDFLWBUTZWBM-RTBURBONSA-N 426.448 0.792 30 10 ICEE CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O 1559440243 FBZWTAXGRDGMJD-UHFFFAOYSA-N 427.461 0.060 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C1CCN(C)CC1 1611144991 FXSGOMSAQTVNMW-UHFFFAOYSA-N 446.573 0.709 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1612653215 HTUUEAXLZQDRAG-CQSZACIVSA-N 433.476 0.637 30 10 ICEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)no1 1613870816 ABRUQBLITMOMSO-MRXNPFEDSA-N 436.476 0.956 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 1615208670 DOUDVYLKLILSFI-JOCHJYFZSA-N 436.553 0.592 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)c1 1626189735 SSLGYMXMYWSKJU-UHFFFAOYSA-N 435.546 0.346 30 10 ICEE COC(=O)c1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 1629484782 DCOOIOLMWKRREZ-UHFFFAOYSA-N 444.469 0.040 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 1636475523 MBXOZKSOJCAXFQ-UHFFFAOYSA-N 438.594 0.854 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccccc3Br)c2C)CC1 1640201346 BYOVMYLYNKNLBA-UHFFFAOYSA-N 445.321 0.845 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1645274779 WKNHPYHYVRITCE-MOPGFXCFSA-N 435.546 0.930 30 10 ICEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1c(I)cnn1C 1684787715 OZVBXGJGKYOOFQ-UHFFFAOYSA-N 442.265 0.976 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1689826305 LVMWFOMWQIJSPR-CABCVRRESA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1689987852 DEWIWTDQLXYDFW-IERDGZPVSA-N 442.545 0.754 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1690092812 WZDQXQVKTHKNCI-ZPHPHTNESA-N 441.492 0.127 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690129264 SQJLXAZUXLTDRT-IBGZPJMESA-N 428.562 0.986 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690668231 XNACSQGCNJQYDH-UHFFFAOYSA-N 425.497 0.979 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568756 UTRASHITQOKKMK-ZWKOTPCHSA-N 439.582 0.410 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705571842 JMZWTSYQSYQPGQ-XDNAFOTISA-N 438.550 0.665 30 10 ICEE CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710987057 GAZIBNUGOCLJSX-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1Cc1ccc(C#N)o1 1712555493 CORRLQGRDRXXIW-OAHLLOKOSA-N 432.481 0.810 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2C)CC1 1722433849 HZJLUIMFWGJZGT-UHFFFAOYSA-N 440.533 0.281 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740622915 KVLXFLLFURSDQA-UKRRQHHQSA-N 448.574 0.923 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740625546 QZPHQRIUWYAGRM-CQSZACIVSA-N 445.492 0.309 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1740957871 COIYLIXBYOGRTE-SFHVURJKSA-N 445.568 0.613 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1748993833 OBAVQDQYVVKLKY-UHFFFAOYSA-N 449.602 0.625 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1751232606 IHTPCWSRFFGWAW-JSGCOSHPSA-N 437.526 0.951 30 10 ICEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1751929564 MVPFJIGOVZTCLA-UHFFFAOYSA-N 431.522 0.120 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1761235699 IJKQVSHOIJYOTE-UHFFFAOYSA-N 442.524 0.409 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 1767464545 MXZCUDVNTVDNHF-YJBOKZPZSA-N 438.467 0.891 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255628628 KKKNRYWRAUZSJL-ZIAGYGMSSA-N 436.318 0.809 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2[C@@H]1[C@H](O)C(=O)C(C(N)=O)=C(O)[C@@H]1N(C)C 13827673 DRKMHDAKULCOKQ-HDCAYBSHSA-N 442.424 0.558 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 460894961 KEQYCOLYLRNZCL-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549215142 QUBMWGDYFYSLCQ-UHFFFAOYSA-N 431.541 0.071 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)COc3ccccc32)cc1 558538742 BUJXECASEMBSHJ-UHFFFAOYSA-N 428.470 0.768 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1C#N 572862095 NYYRYFUJFQWUMU-UHFFFAOYSA-N 446.515 0.810 30 10 ICEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 584249915 IWWVZEMZIXIMMZ-ZDUSSCGKSA-N 434.444 0.607 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(F)cc3OC)CC2)c1=O 734476484 RVVBZZAZZZVXFT-UHFFFAOYSA-N 431.468 0.471 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 753753933 RBEWJNRTYIZPTJ-XJKSGUPXSA-N 449.558 0.907 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 782793535 RWTZDPNQQDMJRN-UHFFFAOYSA-N 446.330 0.164 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)c1 795071383 ACSFLWRVVBUASC-UHFFFAOYSA-N 427.548 0.540 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2C1=O 917439982 JCRNRKYFZPXESN-UHFFFAOYSA-N 448.478 0.991 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1131941497 UDJYZZIISCPHLW-HNNXBMFYSA-N 440.518 0.883 30 10 ICEE COc1cnc([C@@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1O 1180053902 JEMJHCGJGWMFPA-ZDUSSCGKSA-N 431.474 0.983 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286485781 XYYDQUAPZWHLJL-ZHRRBRCNSA-N 430.553 0.933 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286791462 ZXCKSQHAPNWSIG-QGZVFWFLSA-N 440.552 0.937 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286818090 BOCVBQGWEWLOGX-KGLIPLIRSA-N 442.567 0.594 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CCO1 1286940550 BTQLQQOHEDXBST-LJQANCHMSA-N 435.492 0.840 30 10 ICEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cs1 1290418766 YUYKRHAQSKYBLG-IRXDYDNUSA-N 440.526 0.625 30 10 ICEE CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1294054680 LRUHITVUXPGMIP-QFPXGYFVSA-N 445.524 0.948 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(O)CCS(=O)(=O)CC3)CC2=O)cc1Cl 1297793260 AZMZUEWXNOTSTQ-CYBMUJFWSA-N 425.894 0.620 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300499625 VQMWRUFWCPBTBO-SFHVURJKSA-N 429.546 0.940 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300499814 XJMDORILUKGTBN-MSOLQXFVSA-N 433.534 0.552 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300506550 UPRNJIBXQTUWDH-UHFFFAOYSA-N 442.520 0.881 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O 1301151285 LHINAXIXAIWIKN-AWEZNQCLSA-N 433.600 0.768 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1301497861 GDUCOIGQDBFVKP-CYBMUJFWSA-N 436.476 0.563 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2nccs2)C1 1302478488 HVRUPHTUTNZIIC-CQSZACIVSA-N 437.551 0.856 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1358885252 GFKUVEYDROKQDA-AWEZNQCLSA-N 443.533 0.682 30 10 ICEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1451996964 IAWYPNUGFHMQSD-LJQANCHMSA-N 426.498 0.926 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)C1=O 1455619518 GGWVYWBQQQYZEL-FQEVSTJZSA-N 436.465 0.202 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3noc4c3COCC4)CC2)cc1 1471430025 QPEIQPSRALFEIA-UHFFFAOYSA-N 431.474 0.835 30 10 ICEE CCN(C(=O)NCC(=O)NCC#N)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1478602703 MNWLBQWBJRGMJW-OAHLLOKOSA-N 438.529 0.516 30 10 ICEE C=CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478934084 GMFJOSSQGNNJSN-INIZCTEOSA-N 426.539 0.383 30 10 ICEE O=C1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1505357652 DMQGVPBTTKHTIN-QURGRASLSA-N 449.515 0.916 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)CCCC)CC1 1507737543 BJWNWWXXQISOQR-SFHVURJKSA-N 429.569 0.927 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1508018579 GIUSGQKNLICEHQ-JKSUJKDBSA-N 427.527 0.205 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(C)(=O)=O 1513031772 UWFKPNJAEBOUDL-OAHLLOKOSA-N 432.554 0.934 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1539265651 IIAITRRLYIYLKF-LJQANCHMSA-N 441.513 0.899 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540864366 XQADRNJKYZXLGB-GFCCVEGCSA-N 449.313 0.552 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1540869014 ZHWLUFUIHMDIOL-FQEVSTJZSA-N 448.531 0.893 30 10 ICEE O=C1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1556030353 DUWAMHLRVYRNGN-VXPUYCOJSA-N 439.451 0.471 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(F)(F)CO)CC1 1557264427 CFLAMKQAZCSGMK-UHFFFAOYSA-N 430.477 0.277 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 1558072873 HASSRHJZUSAJIS-UHFFFAOYSA-N 434.518 0.342 30 10 ICEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1593788868 DPXGMCRGSZQFHD-ROUUACIJSA-N 445.545 0.845 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1595723059 QNIUKBZBPUKHFV-SJORKVTESA-N 425.555 0.989 30 10 ICEE Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(C)c1C#N 1596757578 BIKKLBJMSMVGCX-INIZCTEOSA-N 425.532 0.450 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617371132 KUAMTYIKIVDZSR-GOSISDBHSA-N 444.565 0.846 30 10 ICEE CS(=O)(=O)N1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1624071816 PAWAICPAYYTKNX-INIZCTEOSA-N 433.490 0.303 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)cc2O)CC1 1632624177 OGPWCTHBBMCLBZ-UHFFFAOYSA-N 441.269 0.894 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)c(=O)nc1O 1633550724 YLHHHTBXKBCTGR-ZDUSSCGKSA-N 433.218 0.481 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2cccnc2)c1 1648715971 NWFJORLNURDJIB-ZWKOTPCHSA-N 431.470 0.388 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1650848998 PWEQYCVZIKOECR-OAHLLOKOSA-N 430.571 0.928 30 10 ICEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653196187 UOIJWKCXDXVVDH-QVFKTBPPSA-N 430.530 0.855 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 1660391895 HNAZCKHCXMRPEE-JKSUJKDBSA-N 426.564 0.202 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1689966265 OBEHLUGUCNAKEZ-GOSISDBHSA-N 443.533 0.730 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689992830 PKKSZSZBUCGZMH-CVEARBPZSA-N 428.580 0.538 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1690746903 MZJBDLYDQPUDHF-AWEZNQCLSA-N 449.624 0.099 30 10 ICEE CC(C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691806714 TVDONPQDNLJNLX-IETCZJMGSA-N 448.549 0.943 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1705568419 NFENCPPQCBFBRM-INIZCTEOSA-N 432.506 0.372 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)[C@@H](C)CCC)CC1 1705642370 RFYNYPUVIJGWCG-SFHVURJKSA-N 429.569 0.708 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1712883598 SVJGUYZYJJBHEO-QZTJIDSGSA-N 431.541 0.480 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1722297110 XOZXQCXLTXISLF-YESZJQIVSA-N 447.565 0.843 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1 1722353375 VICUNCNRQLHWEG-KRWDZBQOSA-N 446.533 0.022 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1722396249 HUCRWNLFHMFADS-IBGZPJMESA-N 431.562 0.902 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722732938 SYLSTRVJESJQAX-GUYCJALGSA-N 430.600 0.770 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1722844562 FVDGJVMQOREVEX-KIJUOZEOSA-N 429.481 0.023 30 10 ICEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740588373 RGSXBBQYUXAYKK-UHFFFAOYSA-N 430.476 0.565 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1740610336 XICXQGWXLBSXDQ-MRXNPFEDSA-N 426.539 0.462 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1740680908 RQYHVXTWXAXZDC-UHFFFAOYSA-N 429.506 0.611 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 1740969779 BDFFGNLNYOTNKM-KRWDZBQOSA-N 432.525 0.544 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749730527 HLOIGAYBUDIMFD-KXBFYZLASA-N 434.522 0.720 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1760256006 RLXFDMPXXQTBDB-UHFFFAOYSA-N 446.559 0.736 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNS(=O)(=O)CC)CC1 1760268012 AHZWBJPRUJSCKP-UHFFFAOYSA-N 447.565 0.568 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760552511 QKMXPTPPLQLMDQ-AWEZNQCLSA-N 427.552 0.508 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1771539233 RBBJBTAHPVPSRG-DOTOQJQBSA-N 432.506 0.837 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2=O)CC1=O 1853671254 SVCXMSKCTKLFFR-CYBMUJFWSA-N 425.894 0.734 30 10 ICEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(C)CC2)cc1=O 1870560118 IIDRYRKLSHZWPB-UHFFFAOYSA-N 430.530 0.303 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255609810 WMLBSOVQKVOFBD-LBPRGKRZSA-N 439.322 0.072 30 10 ICEE C#CCN(CC(=O)N(CCC)CC(=O)Nc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 731213392 AZOWNNQCAMBTMJ-KRWDZBQOSA-N 435.546 0.995 30 10 ICEE CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 744494458 FMPMHFLNCFNEHJ-CQSZACIVSA-N 437.474 0.847 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 783076673 UXZAFARKOHPUGG-QGZVFWFLSA-N 429.502 0.253 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)c1 802581670 ALEYPPJCZBSETE-LWOZTNPUSA-N 444.460 0.930 30 10 ICEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1C)[C@H]1CCS(=O)(=O)C1 809826514 ITGPKPMTJBVBOU-FQEVSTJZSA-N 442.589 0.807 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809895397 UJWIUMYPLZEYAY-SJLPKXTDSA-N 434.566 0.930 30 10 ICEE N#Cc1c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)[nH]c2ccccc12 1136950833 RACHYVNLQKTPPA-CQSZACIVSA-N 429.502 0.101 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1286430900 KTEIKDLKAVLNBA-QRVBRYPASA-N 449.577 0.747 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 1286482061 ZJWMYCFHGQUCAR-SFHVURJKSA-N 434.610 0.810 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)cc2)CC1 1286490377 SHKNIEIMAKYPKZ-UHFFFAOYSA-N 446.515 0.792 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286706728 SPPRKAAYXVALNZ-GJYPPUQNSA-N 443.570 0.865 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1303000105 JMOUFJSSSGJNON-INIZCTEOSA-N 425.449 0.554 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C1 1303933337 JBPXFWIRAYRRPZ-YOEHRIQHSA-N 444.583 0.250 30 10 ICEE CN(C)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1314632758 CVLNNTDDHHEMLP-CQSZACIVSA-N 431.522 0.867 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358927961 PETAWQXJCWRMOP-QZTJIDSGSA-N 427.553 0.776 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1360476078 HYHACZUVIRVFMP-HZPDHXFCSA-N 436.542 0.636 30 10 ICEE C[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1360840971 BZNPWJHBAVINAL-BMGDILEWSA-N 442.517 0.622 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1451612057 CILXQIMJSNQLRA-OAHLLOKOSA-N 425.532 0.541 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC(=O)NC)c1 1507552939 WFQOKGCYHFYCAR-UHFFFAOYSA-N 437.504 0.593 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507728494 ZISVKNPUUUOQGA-UXHICEINSA-N 427.553 0.946 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC(N)=O 1507810277 YILHUTNOVLUJNN-NHIYQJMISA-N 428.559 0.570 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508130647 IPTWTCBJRNCRJP-GJZGRUSLSA-N 438.554 0.265 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1539230771 QIVINCKQQIYIHN-AWEZNQCLSA-N 449.562 0.235 30 10 ICEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2=O)n1 1568504759 GMUUTZBPUFXRCN-KRWDZBQOSA-N 431.456 0.975 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588025100 SEKJGOWTRJIYSE-BEFAXECRSA-N 425.555 0.450 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1596455071 RPBUEERMFJEPSF-KRWDZBQOSA-N 435.502 0.902 30 10 ICEE CN1CCN(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CC1 1616257191 MQGGLHLMMJNQHP-UHFFFAOYSA-N 447.561 0.889 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1620164950 BANNVWPFOHLKTK-INIZCTEOSA-N 443.533 0.472 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)s1 1629542975 HDAZIUJCQLIDPA-CYBMUJFWSA-N 426.520 0.250 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)c1 1664301958 HLXZNEOSGYXHHP-UHFFFAOYSA-N 446.407 0.906 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2=O)cc1 1680778801 MVALHGFJPIJRDS-ROUUACIJSA-N 425.489 0.332 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689982667 RRQKJSMXRFZODD-UTKZUKDTSA-N 446.529 0.732 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690644314 DJJBVNDRIYVJOO-GDBMZVCRSA-N 438.554 0.292 30 10 ICEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697109732 FTHCPZBNZGDASO-CQSZACIVSA-N 429.529 0.691 30 10 ICEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705520617 ADRIQGUVJPJWSA-GOSISDBHSA-N 447.499 0.679 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705552115 VOMIQBRZWPSQOX-SQNIBIBYSA-N 438.598 0.801 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1722297087 XFIYONIXDQUJMJ-DLBZAZTESA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722358295 FVJXHMKUTLADSE-ULQDDVLXSA-N 437.566 0.716 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1722402721 OVVIYKUJGNFRNW-AWEZNQCLSA-N 431.584 0.705 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1722423953 VVAGOIVPNNHXIK-UHFFFAOYSA-N 449.533 0.694 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cc[nH]n1 1740646891 KVIFSYCKJDMKQI-OAQYLSRUSA-N 425.493 0.546 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740992373 GIWVFVRKRVVWJY-FQEVSTJZSA-N 432.550 0.827 30 10 ICEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1747346042 QMPRGYCDLFHCCT-HXUWFJFHSA-N 449.533 0.751 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCC)c1 1748693121 YKICQSQFZHGTJT-QGZVFWFLSA-N 437.504 0.812 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748752305 UZKPJVPXPJVTPD-HOTGVXAUSA-N 443.595 0.359 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2)CC1 1748972041 AJHTVQZPUHJDCK-MRXNPFEDSA-N 432.550 0.700 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1749037498 DGCYMTVRPXZRCQ-HOTGVXAUSA-N 443.595 0.593 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1749898393 FTVOMZYLVOAVTJ-GOSISDBHSA-N 439.520 0.776 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760275505 YSJHNJQVPMVFDR-ZIAGYGMSSA-N 449.624 0.268 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1765632801 AXCHCMZOIKOODT-UHFFFAOYSA-N 434.508 0.252 30 10 ICEE Cn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cn1 1769015482 CWSZBBQRJGNDMK-KRWDZBQOSA-N 448.553 0.523 30 10 ICEE CS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1771356228 BNNHFIPDNNBDBI-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4ccccc43)C(=O)C2)C1 1856871065 OBQUWSIGTPDSNC-IEBWSBKVSA-N 430.530 0.705 30 10 ICEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CN3CCC(F)(F)CC3)C2)CC1 1857042935 HUPZSNBGVIWCRF-HNNXBMFYSA-N 432.493 0.658 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1 439936953 BEAWJMCYAIVVNZ-MWDXBVQZSA-N 436.486 0.716 30 10 ICEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cn1 462084646 OZLFCCDXPHZXEC-KRWDZBQOSA-N 445.505 0.797 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 486054109 ODKRBHBXERBNKC-UHFFFAOYSA-N 449.314 0.900 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cn1 735069267 QWPVQCQUJRAMNZ-UHFFFAOYSA-N 449.536 0.867 30 10 ICEE Cc1cnn(-c2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2F)c1 737304785 BPHFDHVUEAWLIC-ZCXUNETKSA-N 426.408 0.901 30 10 ICEE CCO[C@@H]1C[C@](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)OC)C1(C)C 781842311 UMUVBHKCUOWHFV-QRWLVFNGSA-N 437.518 0.978 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)n1 790104024 IFYBSOKHYDKHMI-UHFFFAOYSA-N 429.502 0.572 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 790105178 RFYVRMAWOVNNBA-OAHLLOKOSA-N 436.538 0.209 30 10 ICEE O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1 816692990 ZSQUTEOVXBCHOM-CABCVRRESA-N 445.501 0.829 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCN(C)S(C)(=O)=O)C1=O 917700860 JLMMUCAEULWVID-OAHLLOKOSA-N 437.547 0.907 30 10 ICEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2=O 1134424702 USFBQNXSPALVAO-ITHTXLDVSA-N 436.534 0.520 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)c1cc[nH]n1 1141546100 CXKRVCRLXOAOEU-UHFFFAOYSA-N 446.483 0.771 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286472910 MNTNTQMRCKLBFG-XLIONFOSSA-N 437.566 0.120 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1286788868 JAHQTZLYYACAMU-UHFFFAOYSA-N 425.537 0.867 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@H]1CCCO1 1288826584 TWWUIIMPUKVFOE-DAYGRLMNSA-N 444.533 0.916 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1300513660 YMLAQGNKEQYISO-UHFFFAOYSA-N 427.534 0.708 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1314542288 GDAVBRDMCCOHLK-SFHVURJKSA-N 441.533 0.514 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1316355992 KRPAPVJGPYADFO-FQEVSTJZSA-N 446.533 0.752 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1358959996 UJTLDQXGBSDKDY-CABCVRRESA-N 448.936 0.899 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359208430 LSWTVGGJKWYQTE-AWEZNQCLSA-N 436.542 0.441 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 1466759167 QKPWWOFKQROMQS-UHFFFAOYSA-N 438.485 0.363 30 10 ICEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)OC 1504580381 GUYBFCGGGZRAPW-GOSISDBHSA-N 428.493 0.949 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507631011 AZBMUKMOJMGHTH-BBWFWOEESA-N 434.566 0.198 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508085668 IJLLIJNNTXEKBA-INIZCTEOSA-N 426.477 0.821 30 10 ICEE CCc1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513865191 KFDSRIUUYVMITN-HNENSFHCSA-N 442.524 0.751 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)C1=O 1527662747 JKSSLZCKLSANSX-UHFFFAOYSA-N 426.408 0.327 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1540053046 ACNITUXHLDYUKB-GOSISDBHSA-N 440.547 0.520 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCCO 1544582570 MWKGECRAKHZRDO-HOTGVXAUSA-N 439.524 0.769 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511872 YYDFPBXQBLBTHC-RAKLQZGLSA-N 427.523 0.846 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1589070858 YMVGFNPKEQRIPN-KSSFIOAISA-N 425.580 0.509 30 10 ICEE CC(=O)NC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1596506658 ANGICKKLXHMDDG-FMQUCBEESA-N 427.509 0.862 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1615671894 OAESTEAGQBZZKI-ZDUSSCGKSA-N 441.535 0.564 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(NS(=O)(=O)C2CC2)c1 1617003371 GJIMUNOCTRFUHH-UHFFFAOYSA-N 448.526 0.946 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1619989828 JYUSRSGQZJMUEF-YOEHRIQHSA-N 430.506 0.480 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1623783805 OEMXFSSIHVVXHT-QGZVFWFLSA-N 437.541 0.577 30 10 ICEE C#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(=O)OC 1626188351 WRBGEFLNHIMJIR-UONOGXRCSA-N 428.532 0.968 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)CC1 1637061008 RSOIRNYWGDWPCN-JKSUJKDBSA-N 443.570 0.569 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC2(C#N)CCOCC2)C1 1637331758 DKPGNXXSXYPFFK-AUUYWEPGSA-N 427.523 0.705 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)CC1 1658969808 FNUYMXYMMVYEPQ-IAGOWNOFSA-N 442.582 0.119 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1660902175 ILHKSOXFEUTFNA-CABCVRRESA-N 436.552 0.074 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)c1 1665028876 ZBOFNRJDQMUMFI-UHFFFAOYSA-N 427.490 0.799 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1690527200 KUYMEDFLLZLVAW-MRXNPFEDSA-N 435.554 0.743 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCOCC1 1692779583 BRDHIBOJZZZQCS-QAPCUYQASA-N 443.549 0.443 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N(C)C 1698256200 YTEXBXSAGQQMTN-WDYCEAGBSA-N 431.541 0.657 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CCNS(=O)(=O)Cc2ccon2)cc1 1698487923 GHRAPIIPTBJMGN-UHFFFAOYSA-N 443.489 0.761 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705724937 ZYYZVGQCZRDZRQ-SJORKVTESA-N 433.557 0.469 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1)C1CC1 1705854849 PIJYLQHMUMVILL-QAPCUYQASA-N 443.595 0.634 30 10 ICEE CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1711032977 QKIZNHJOQIMKDC-ZZJCVSNXSA-N 431.522 0.697 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1724009263 DGNZWQCGBHDATC-PBHICJAKSA-N 429.568 0.745 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C 1740732094 RFURVDAJWOPSPJ-CRAIPNDOSA-N 443.595 0.500 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1740761916 PXMZOSCNWSFYNW-NCOADZHNSA-N 437.566 0.876 30 10 ICEE CN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1748063031 ZAXWCLKKXPOLSA-VXPUYCOJSA-N 427.509 0.816 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1748970770 RJUWXOFDCPIDFA-ROUUACIJSA-N 440.566 0.913 30 10 ICEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749039744 ZXYJEMAEDIDERH-KRWDZBQOSA-N 446.577 0.813 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749664312 JZJZBDMYCDDOGN-GOSISDBHSA-N 440.552 0.329 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1750031100 VKMCYGJUGKZBGH-INIZCTEOSA-N 432.506 0.604 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1751284946 MTIOPNPGXLUFFQ-DOTOQJQBSA-N 437.504 0.955 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1760188782 CZRYXWYETWJCRB-SFHVURJKSA-N 442.545 0.417 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760449999 BHMMPKIPANNSIX-ILXRZTDVSA-N 426.495 0.887 30 10 ICEE CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1 1858336631 UZLBTJNJTSRMSP-INIZCTEOSA-N 440.547 0.109 30 10 ICEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868594567 ZFQYQTAWQKBHDI-KRWDZBQOSA-N 434.562 0.942 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 460807076 YRDLQNHKGTXKIE-GDBMZVCRSA-N 426.543 0.244 30 10 ICEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 478749772 WXAXHTKZNOKBGG-MRXNPFEDSA-N 443.525 0.334 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 552695122 WGPGUNVISZBMJG-UHFFFAOYSA-N 438.469 0.678 30 10 ICEE C#CCN(C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 747367775 GQZGCRPJAIAMQG-IBGZPJMESA-N 433.530 0.590 30 10 ICEE N#C[C@@H](C(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 753974577 VDRFJXFCTFGTPK-INIZCTEOSA-N 431.470 0.419 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)c(F)c2)c1=O 763312851 PKEMHZVRLMGNFK-UHFFFAOYSA-N 435.278 0.926 30 10 ICEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 768070583 YDZICOQDKXCPOB-GOSISDBHSA-N 425.489 0.605 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 807110491 UPUQTNVBTROAAL-KFWWJZLASA-N 429.543 0.811 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1132004524 ITIDEZYGZLSXJP-GJZGRUSLSA-N 432.543 0.740 30 10 ICEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1203468806 XSRJSSUUEIKVKY-RXVVDRJESA-N 445.545 0.753 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1213385537 VGUKYQFCULHWNS-FZKQIMNGSA-N 425.463 0.536 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1228032755 OUGZZBCXOXNSSR-HNNXBMFYSA-N 429.543 0.181 30 10 ICEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@]23COCCN2C(=O)COC3)CC1 1234608954 SDQOTOWAUOMROU-MYKUNDNFSA-N 429.477 0.570 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286382570 SNKRNEFUJVBKHS-GOSISDBHSA-N 448.593 0.625 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCN(C)C2)CC1 1286472273 FZXYBZFFHJVOES-LJQANCHMSA-N 448.369 0.858 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)CC1 1286492916 KXSBUIPALSNWJV-GOSISDBHSA-N 448.593 0.242 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1286553690 FOZMQFFYVBVPIN-MDZRGWNJSA-N 432.525 0.505 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 1292889531 DGQNWAKSHQWLPM-UHFFFAOYSA-N 431.436 0.877 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300502182 RIFJBBQHUODHRL-OXJNMPFZSA-N 437.566 0.434 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1316535250 HHLXWUGMBKWLLJ-QGZVFWFLSA-N 448.911 0.989 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 1459456786 LOYVEZANGNFVMZ-QGZVFWFLSA-N 429.521 0.475 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1503823371 VJTSXPMUSBFKOX-ZWKOTPCHSA-N 425.493 0.818 30 10 ICEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1511497917 FUNWESMKCCIPTA-DGCLKSJQSA-N 425.540 0.739 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2OCC[C@H]2C)CC1 1539466718 DUEFZGMXJSUWDV-SJLPKXTDSA-N 428.537 0.905 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1540620123 FLDRUQIJIRHJBN-CABCVRRESA-N 429.539 0.445 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540874789 SBYJYIOJSXEOJI-JOCHJYFZSA-N 435.488 0.890 30 10 ICEE CNC(=O)NC[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1620525844 VAWWMWCPVGZHPD-OALUTQOASA-N 432.500 0.164 30 10 ICEE CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1683020774 HHRBZJCWOONNHK-UHFFFAOYSA-N 431.522 0.671 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1689966266 OBEHLUGUCNAKEZ-SFHVURJKSA-N 443.533 0.730 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1690102696 SLJHBXKMOOIBFL-SFHVURJKSA-N 445.545 0.908 30 10 ICEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1696618585 FTGBHPYDDAVJJR-HXUWFJFHSA-N 425.537 0.916 30 10 ICEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1698064858 XRGWVFHHFIXINR-AWEZNQCLSA-N 434.526 0.128 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705567341 WWMFXVAPXSGYEF-QZWWFDLISA-N 435.550 0.529 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1705717756 RCFSSBOCWMYOBH-OAHLLOKOSA-N 428.559 0.538 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1705875635 AWCGDCKQUCCLKV-DLBZAZTESA-N 441.554 0.595 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711344286 NKSMDRYIMJCAPW-UDJKBAMHSA-N 429.525 0.965 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1722358205 DYCVIOPLSXNHRZ-QGZVFWFLSA-N 430.534 0.795 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722359122 QBHZFXPYBQKEBI-SJORKVTESA-N 437.566 0.812 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722491200 IMXTUAHFLQPZDI-SUJAAXHWSA-N 427.527 0.431 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1722813571 DKVAYKRKKLMBSF-SFHVURJKSA-N 445.549 0.813 30 10 ICEE CC(C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723205328 ZFTWBYCFVADKDY-OFXSGMSSSA-N 429.481 0.863 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)(F)F)CC1 1740700721 FSPUUFAWPQPEJN-HOCLYGCPSA-N 444.458 0.436 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1740959652 BSMUGEKNFWZOCF-CQSZACIVSA-N 432.506 0.146 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1764917187 GYYPQVAHEMEZCV-UHFFFAOYSA-N 445.549 0.373 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2C[C@H](c3ccccc3Cl)[C@@H](C#N)C2)n(C)c1=O 1849859353 DODFKSDJYIZPSV-JSGCOSHPSA-N 426.864 0.853 30 10 ICEE CS(=O)(=O)N1CC(C(=O)N2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)C1 1857289367 AHAWIVWTPZSXIF-SFHVURJKSA-N 430.530 0.563 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OC)c1 1865728200 CLZIWBRHUVMYFA-INIZCTEOSA-N 438.484 0.988 30 10 ICEE C[C@@H](C(=O)O)N(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 1866332373 RDYPMXJCDIURMN-WFASDCNBSA-N 435.458 0.301 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)n1 2282494754 BSADNEDXYHWPQG-ZDUSSCGKSA-N 427.332 0.683 30 10 ICEE Cc1cc(N2CC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 434424465 ZRSKCWGKNCKFKD-GOSISDBHSA-N 428.518 0.712 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)n1 479388981 CYVORRYBTVXMGY-HNNXBMFYSA-N 428.514 0.520 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 490034758 OHTSQDXJUCRHTI-MRXNPFEDSA-N 428.536 0.408 30 10 ICEE Cn1c(=O)c2cc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)n(C)c2n(C)c1=O 525872688 CYNCUERKZHEEFH-UHFFFAOYSA-N 436.472 0.962 30 10 ICEE Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 530317821 NRRBLWPTHAJAJL-UHFFFAOYSA-N 447.520 0.762 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 541859812 JSLVXQNSKLVVAI-IBGZPJMESA-N 434.562 0.541 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)n1 544889400 FBJBWASLFHFPDF-UHFFFAOYSA-N 448.531 0.919 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 583720863 CNCCCHLUCWAVTA-HOTGVXAUSA-N 440.570 0.490 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 604027924 IKFOQHABYAEGFI-UHFFFAOYSA-N 434.927 0.095 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 609457152 MNQKJVZWYDVOJR-HCXYKTFWSA-N 438.594 0.788 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)C1 760775857 WXKORPSHNOFEFA-UHFFFAOYSA-N 428.493 0.681 30 10 ICEE C#CCN(C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 774196478 ZXAKLSSOXVEWBF-INIZCTEOSA-N 428.555 0.371 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286467158 MOMUWZGOKHFRLH-OAHLLOKOSA-N 425.555 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cn(C3COC3)nn2)CC1 1286486855 QHMUVDCIWCCFNW-HNNXBMFYSA-N 426.525 0.969 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286786129 XXJAQYXVRPCFNE-UHFFFAOYSA-N 447.565 0.893 30 10 ICEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301036646 DXMDEERHIHQVJA-GZBFAFLISA-N 429.522 0.049 30 10 ICEE C#CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1318977299 JPGMZOOJOKSDMP-IAGOWNOFSA-N 428.470 0.412 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1359041604 BYSLXJBCQHDLIP-UHFFFAOYSA-N 429.488 0.959 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359132542 ADFNYECHYKDUOA-KXBFYZLASA-N 439.538 0.804 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1359400170 CVXMJSQMYXYCDU-UHFFFAOYSA-N 441.561 0.550 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1507629585 UWWBSMGTLRVZKB-GOSISDBHSA-N 438.513 0.746 30 10 ICEE COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519403113 DHMYSWLLIZQBMS-DOTOQJQBSA-N 438.554 0.020 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1=O 1523574982 UWNHDJCXYKOUTF-UHFFFAOYSA-N 444.853 0.437 30 10 ICEE C#CCCN(CCOC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1533858936 HCBMMNBYICAEJG-UHFFFAOYSA-N 439.509 0.790 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876703 YQDREVRXGOEWMM-XGHQBKJUSA-N 437.541 0.861 30 10 ICEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1541050071 SPBABUKUJMESKG-UHFFFAOYSA-N 438.412 0.875 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1541803067 BWRKMWLOJGFKEC-IIDMSEBBSA-N 442.542 0.155 30 10 ICEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N1CCOCC1 1555556351 DBJYGOQDGBOMGJ-UHFFFAOYSA-N 442.476 0.899 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 1562083434 RDVIUALRXPUJIC-UHFFFAOYSA-N 436.462 0.300 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595544280 GONAGYCWZCZKTI-RBUKOAKNSA-N 431.585 0.689 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1645273592 DYANYZDDVMLOBY-WMZOPIPTSA-N 435.546 0.442 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cccc(CN4C(=O)CSC4=O)c3)C2)c(=O)nc1O 1648028740 MFTBTKAKFSHJDD-UHFFFAOYSA-N 425.426 0.713 30 10 ICEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1656624055 AIQUYYIXZTVINR-UHFFFAOYSA-N 428.532 0.246 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 1663863786 JEZSIGMAUVNODB-UHFFFAOYSA-N 440.572 0.892 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)[C@@H]1CCCO1 1686185089 XPSCPVHWKOOQRU-WCVJEAGWSA-N 427.523 0.595 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689996553 JTVHAIZCFQHFMK-KRWDZBQOSA-N 439.582 0.552 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690668132 UJYCWESDZOKJDA-QGZVFWFLSA-N 438.492 0.409 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1698172838 YCODELWRMBQLQP-OWCLPIDISA-N 427.527 0.698 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564354 BWVLBUJVWRZWIJ-DLBZAZTESA-N 437.566 0.571 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1712711557 PXLMNODXCFIIEA-IBGZPJMESA-N 432.506 0.362 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCOCCCO)cc1 1712881166 XGDDTSPGEFNYOE-QFIPXVFZSA-N 440.504 0.987 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1740624531 JOBUBLLTUQPGKY-SFHVURJKSA-N 442.545 0.665 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1740671826 PNYSPGZRAVOHQI-SJORKVTESA-N 426.587 0.801 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1740685783 MKSCWDYNUNANML-DLBZAZTESA-N 432.550 0.725 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740957709 YGMPOZCNHVHGGQ-UHFFFAOYSA-N 440.552 0.330 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1740960456 RZCTYCNRZBINDO-ZBFHGGJFSA-N 435.506 0.653 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1748826512 UVGQKGSYGNQQJN-QGZVFWFLSA-N 436.582 0.196 30 10 ICEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1749241281 IAXUKGFZYFTDJU-QGZVFWFLSA-N 437.504 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760522781 YRAXHVCQKXXZFH-PBHICJAKSA-N 447.517 0.716 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760530164 LAWFNUPDLSIYGA-ROWPZFDLSA-N 435.525 0.689 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1763138728 XFEVRDVFBWECIB-GVOGQVFTSA-N 448.549 0.799 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(=O)(=O)CC)CCOC1 1767439624 NOEPMPBFKIASHH-MSOLQXFVSA-N 444.533 0.702 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1772564567 CMNQHQKLMPDYDI-INIZCTEOSA-N 440.570 0.098 30 10 ICEE C[C@H]1CN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853922204 NJMCKGUIWBYVCH-LPHOPBHVSA-N 432.546 0.974 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2267268126 PXFLRXWROJWVIK-KRWDZBQOSA-N 441.341 0.745 30 10 ICEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267877509 VDXLLIXMRODEIC-GOSISDBHSA-N 437.353 0.980 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 492289273 DTBADVGFEDKQNY-UHFFFAOYSA-N 440.541 0.673 30 10 ICEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 511139686 IBLKROGCSHDGNW-IRXDYDNUSA-N 439.607 0.813 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCCO1 512726234 UYCNILOAZZWUSE-MRXNPFEDSA-N 429.546 0.725 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 513437230 MJYSJHCHVZDXEX-UHFFFAOYSA-N 427.548 0.837 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 514406925 NNFCUASXQIDIQO-DLBZAZTESA-N 443.570 0.819 30 10 ICEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730140280 VSMDDGAGCUQEBF-CQSZACIVSA-N 427.477 0.710 30 10 ICEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)ccc21 774515665 FIVYYRJALYUOJH-UHFFFAOYSA-N 449.536 0.178 30 10 ICEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800018929 KYBYJQCPXSOJTM-OAHLLOKOSA-N 431.559 0.724 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 804942938 QCJPGNOJOQLADU-UHFFFAOYSA-N 437.490 0.291 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1286490549 XOTDRKSWEDYAGZ-SSEXGKCCSA-N 429.550 0.556 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1286599939 FLJPXVUCXDOXQC-CRAIPNDOSA-N 429.543 0.477 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286700111 KBGYWAYVFCWDFU-INIZCTEOSA-N 436.582 0.547 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286798366 JYVSMGHHYDXQGS-CVEARBPZSA-N 440.570 0.622 30 10 ICEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1286894243 BAHHPNQBXZBYMG-FUHWJXTLSA-N 444.517 0.916 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1300408846 CUDCZAFXSDSADE-KRWDZBQOSA-N 438.554 0.129 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300496740 UNRMZEHSDIXBNV-AWEZNQCLSA-N 431.584 0.043 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](COC)C1 1301508642 OXLIEUARAVMQQQ-KRWDZBQOSA-N 425.493 0.670 30 10 ICEE C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1360535325 BZOOOIVWGCQBOA-DOTOQJQBSA-N 447.565 0.874 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1360680882 KBJCOLZQCGUXRZ-IGNZVWTISA-N 439.517 0.341 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OC)(c2cnnn2C)C1 1471677683 XUPHIXOAMUDNNE-OAHLLOKOSA-N 446.533 0.797 30 10 ICEE COC(=O)[C@@H](Cc1cncs1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471712373 XLFGEZHXVWCBKK-CQSZACIVSA-N 436.515 0.862 30 10 ICEE C=C[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1472548101 UTXKHZQZCRPNHZ-AWEZNQCLSA-N 431.536 0.052 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1503274608 RVJRMABXVKUOOT-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630733 GOKRZASEWQBIPB-SJORKVTESA-N 445.549 0.083 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)C1 1508124302 LLSSWZUKVSMLOW-LSDHHAIUSA-N 425.555 0.734 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1517623773 ACIFCCCQZFGRPF-LJQANCHMSA-N 432.506 0.362 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1539343463 KJEKVOSIVVIMMC-HNNXBMFYSA-N 434.570 0.908 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 1557799338 SHAPVWJOBPZAGX-INIZCTEOSA-N 439.534 0.898 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1587639243 KSWIUDCCRIAGGO-GVDBMIGSSA-N 447.565 0.528 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1587909377 JRYAQUVKGCVKBK-MRXNPFEDSA-N 432.550 0.843 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593635858 BEXPJBMPCYGFLZ-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@@H]2C)C1 1595674831 VAHZXLCWRJASMJ-BORJPKMPSA-N 429.543 0.210 30 10 ICEE CS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1620178450 GNCUOTGEYJZYMC-UHFFFAOYSA-N 437.551 0.559 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)cc1 1635357833 ROBYYIYLCGYKCU-UHFFFAOYSA-N 426.454 0.401 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)s1 1637077236 SIKOJQPDAQLQMP-JSGCOSHPSA-N 431.536 0.320 30 10 ICEE 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 1644787938 VIQHVRNSLCFHRA-VHKYSDTDSA-N 442.534 0.872 30 10 ICEE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 1674897679 HORYXWNVOXDRAT-UHFFFAOYSA-N 434.522 0.409 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1689847761 HMOZRZOSNCVFJF-MRXNPFEDSA-N 449.515 0.992 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1689926201 KTCBWZYGAIWBLS-UHFFFAOYSA-N 449.515 0.900 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1689988062 IIQVJSMNUNWCQU-LSDHHAIUSA-N 448.574 0.864 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1705494470 AEMDJYXZJBAQQI-CRAIPNDOSA-N 443.533 0.765 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705704130 ZDNKBOLGTHUIEJ-DNVCBOLYSA-N 444.540 0.288 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705903437 WEFHHLFBJHAAIM-HZPDHXFCSA-N 437.508 0.461 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722365224 CQBAUUHLGLZWPZ-STQMWFEESA-N 431.465 0.485 30 10 ICEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)C2 1726234371 DQVKGZTZRBPDFI-UHFFFAOYSA-N 427.494 0.286 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731010092 RNFHTYDMUZSNHI-INIZCTEOSA-N 431.522 0.420 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N(C)C)CC1 1740702867 ANDFKRHNWDINSB-QFIPXVFZSA-N 446.552 0.374 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740962348 ZQOPYCADLOLAPA-UHFFFAOYSA-N 435.492 0.153 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1760096289 JDPFBXTUUBOGHB-HUUCEWRRSA-N 431.522 0.807 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC(F)(F)F 1763112197 FBXANXIIMPDWKI-LBPRGKRZSA-N 437.430 0.896 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(C)=O 1771304244 SCMXOWFCYQLLBP-WDSOQIARSA-N 431.541 0.705 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1772842512 WGYNFNCWKMOEKE-ZDUSSCGKSA-N 437.526 0.929 30 10 ICEE C=CCC1C(=O)NC(=NC(=O)c2cc(Br)cnc2N2CCOCC2)NC1=O 1851840853 QALXZVGRZIOFGN-UHFFFAOYSA-N 436.266 0.615 30 10 ICEE COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CC#N)C(=O)C2)C1 1856508191 ACWFLFFAVKRGOO-CQSZACIVSA-N 440.909 0.696 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)CC1=O 1856904903 SSOYQOVLZJDHRO-RDJZCZTQSA-N 446.485 0.755 30 10 ICEE C=CCOc1ccccc1[C@H]1C(C(=O)NC(C)C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865720774 WNQCWOICZSRGMD-HNNXBMFYSA-N 426.473 0.868 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc(C)ccc1O 1865728535 GVBTVMYZZFQSBR-INIZCTEOSA-N 438.484 0.993 30 10 ICEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)OC1(C)C 2255613649 CLMXRUHJYVNRLV-WHOHXGKFSA-N 433.236 0.850 30 10 ICEE CC(=O)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@H](COC(=O)c1ccccc1)OS(C)(=O)=O 255963091 ASSGEEKBKJCWQS-RPUYLAQPSA-N 444.458 0.996 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 430385728 OMMHTMCONTVHPZ-LPHOPBHVSA-N 433.530 0.687 30 10 ICEE COc1cc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)ncn1 461344763 WHGLYOXVGLCBAS-CQSZACIVSA-N 430.490 0.372 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 484545677 WCDFPXVVHBAZIN-AWEZNQCLSA-N 448.595 0.624 30 10 ICEE N#CCCN(C(=O)CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 609420228 HWDBFROXQHHASM-UHFFFAOYSA-N 441.532 0.716 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729672984 QFGFKZKMBWBNPO-UHFFFAOYSA-N 430.493 0.444 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 755205728 KHAKAKMEUARQCM-KRWDZBQOSA-N 437.541 0.577 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 916201306 KAGMUMVURRAWCG-UHFFFAOYSA-N 445.888 0.830 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 917799713 RZLCEKZNPBWRDL-AWEZNQCLSA-N 448.508 0.158 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1135918151 JJFGDASZPNIJMH-INIZCTEOSA-N 447.923 0.471 30 10 ICEE C=CC1(CC(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1141374905 OZIUDEYVKGNBKS-OAHLLOKOSA-N 443.566 0.951 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)CC1 1254483559 ZSUULJADSYOAEL-IYARVYRRSA-N 434.518 0.303 30 10 ICEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286505936 BZDOXUDBQPMPIL-MRXNPFEDSA-N 446.577 0.466 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1286712485 ZYXGZRWATDJWNK-IAGOWNOFSA-N 425.555 0.294 30 10 ICEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)cc1 1289350392 WGXMUIDCXIYAJK-WMZOPIPTSA-N 430.486 0.624 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300486802 BHUXQWMKBKSMBS-HOCLYGCPSA-N 430.534 0.815 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1300559188 LEWPMYSOXGUHKM-HXUWFJFHSA-N 435.550 0.429 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC)C1 1300874766 NWAFGPSFWHLCDS-HZMVEIRTSA-N 443.570 0.721 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(OC)CCOC2)CC1 1301086695 NGIJIPRCXKJMLC-LPHOPBHVSA-N 441.554 0.573 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1301425741 YCDKMLKJMWFKEW-BRWVUGGUSA-N 428.555 0.871 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1301567047 FIYUXKCWUZPOOS-UHFFFAOYSA-N 438.535 0.095 30 10 ICEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1308012167 NKFUXWUOGDYIKL-HNNXBMFYSA-N 438.506 0.423 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1316140126 GZFHKZKPMQOBII-HXUWFJFHSA-N 442.520 0.913 30 10 ICEE C[C@@H](C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)n1cnc(C#N)n1 1325118350 BWKWYGBTUIFNJJ-AWEZNQCLSA-N 426.433 0.043 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358930250 QUFMKWXOXPJLSG-IRXDYDNUSA-N 448.593 0.383 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1359332166 QPGIDCAJRNTTLT-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE CN(C)C(=O)CN1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1443393027 QSIKKEFVOFKATL-GOSISDBHSA-N 440.504 0.432 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1467814604 OFPVFLXEDPKYJX-WMZHIEFXSA-N 442.516 0.042 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1471201985 SIFBPSROIOJWFR-ZNMIVQPWSA-N 432.502 0.357 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(CC)n(-c3ccccc3Cl)n2)CC1 1471450465 AGXSLWMJCDTHKS-UHFFFAOYSA-N 436.925 0.709 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1493168534 FPURYOWEHNQVBP-OAHLLOKOSA-N 443.533 0.519 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CCO1 1505323010 VBBQNJDZXRHUNR-JKSUJKDBSA-N 436.538 0.215 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CCS(=O)CC1 1505354728 PWWSMPRUBFWEKH-HNENSFHCSA-N 441.517 0.359 30 10 ICEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507562946 BRERRIMRXKRRLY-INIZCTEOSA-N 442.524 0.052 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](OC)C(F)(F)F)CC1 1507731237 DIVCMWYYCGKLBY-CABCVRRESA-N 449.499 0.903 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508080653 QFQCDZLHFJNXEF-WMZOPIPTSA-N 428.541 0.528 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1508095881 YMEBWZGSAOOLCR-QGZVFWFLSA-N 446.552 0.725 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1508121621 FPFISOIQZIJXGO-QZTJIDSGSA-N 440.504 0.923 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508141091 LDCUYBOXKHHMMH-KXBFYZLASA-N 425.555 0.735 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539630360 ZYCULZYYTDIPGQ-XLIONFOSSA-N 442.568 0.918 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1555753126 JXKWBKFQKFDRBQ-OKYOBFRVSA-N 432.525 0.989 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1558642723 BDSUYPTZNSFKJN-GTYSZEQSSA-N 425.507 0.267 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588924207 XKFGLMUJVRJIHA-IEBWSBKVSA-N 441.536 0.696 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)CC1 1588924241 YAETYGZABIBCHE-INIZCTEOSA-N 443.552 0.357 30 10 ICEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1589078720 XOFJJZODGOYKMH-KRWDZBQOSA-N 442.520 0.521 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595500967 HTINZHONIUHYMA-UHFFFAOYSA-N 443.508 0.723 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1611710759 DYIMJJWUFDTNLV-KNBMTAEXSA-N 448.549 0.915 30 10 ICEE C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccccc2Br)CC1 1616927138 ILDQIYODOWBCAL-OAHLLOKOSA-N 430.324 0.748 30 10 ICEE COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1640000630 BTWRWCVSSGPUSM-INIZCTEOSA-N 437.323 0.706 30 10 ICEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1647796995 OMSOPUFEBXOMMN-DLBZAZTESA-N 426.477 0.978 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)CC1 1650849156 WDOYWCUUFNYTQE-HZPDHXFCSA-N 429.539 0.125 30 10 ICEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1653539832 ILIATMXGEGXDFF-HUUCEWRRSA-N 433.513 0.973 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(OC)CCOC2)CC1 1705647716 IUBXPQGFLGHFTK-GCJKJVERSA-N 431.537 0.943 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1705830999 ZQEVVPVJPUETIL-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705936166 KXLSPFFEGFQCPQ-SJORKVTESA-N 437.566 0.974 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706836364 JGAMWOYSKSJPDH-BZSIDJSBSA-N 436.538 0.626 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1706870743 HXDIDDGORSUPSW-IYOUNJFTSA-N 436.517 0.789 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1722692354 JNJBAHTZQDGVMW-UHFFFAOYSA-N 426.543 0.122 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1740705460 HIAKVXHLWBGUKC-RBUKOAKNSA-N 431.537 0.943 30 10 ICEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740782325 MTILXTKPROOJQO-HNNXBMFYSA-N 430.513 0.215 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC)C1 1740954666 DLQJJTLFGWYLDV-INIZCTEOSA-N 429.477 0.870 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748810573 XRSGNUWAWLQSBN-IEBWSBKVSA-N 446.529 0.996 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1760623449 RKXVFHDYCZJBJN-HHRDJLPXSA-N 443.508 0.713 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#Cc1cnn(C)c1 1852841688 RNFPRJLXIDOZLA-UHFFFAOYSA-N 432.502 0.621 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247875696 ASDARJHTPSSZGI-QWRGUYRKSA-N 443.335 0.058 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247954083 YBKJXNSPJHSDTH-NWDGAFQWSA-N 442.347 0.663 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629552 XMCWWRAZPBVKLF-GXTWGEPZSA-N 436.318 0.978 30 10 ICEE 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 2298016343 UQIXGLWNYOGQFU-FXUDXRNXSA-N 441.525 0.750 30 10 ICEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)cc([N+](=O)[O-])c1O 21084125 OBGKLSQXOYQNMD-AYSLTRBKSA-N 434.398 0.722 30 10 ICEE C=C(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]1C=O 199339888 IITUVPKVNFWTCD-RNQOJCNYSA-N 428.533 0.702 30 10 ICEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cn2)C[C@H](C)O1 443318605 IMFQZJPFNJKZBA-JUVOFCAFSA-N 430.509 0.904 30 10 ICEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 460685736 DGIGKJPQQZCGFJ-UHFFFAOYSA-N 441.513 0.778 30 10 ICEE COCCN1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1=O 469697564 JRWPWIQOEZWKRE-FQEVSTJZSA-N 431.512 0.715 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 480433654 CPFACUHJBRBTBR-RDJZCZTQSA-N 434.518 0.322 30 10 ICEE N#Cc1cc([N+](=O)[O-])c(N2CCN3CCOC[C@@H]3C2)cc1N1CCN2CCOC[C@@H]2C1 553487539 ZDLNBIIIRMCYLE-ROUUACIJSA-N 428.493 0.508 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CCN1Cc1ccccc1 554269322 MAVZLLQQDMMTAG-NRFANRHFSA-N 448.527 0.771 30 10 ICEE CCOC(=O)[C@@H]1CCCN(C(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)C1 585673815 UTZOYNJPFXBOEG-CAEQJOOOSA-N 428.445 0.862 30 10 ICEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604523564 IZUKXBGUMUKLHA-UHFFFAOYSA-N 427.438 0.998 30 10 ICEE COc1cc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)ccc1C 732465557 GXYFWJXRWPNRBF-FMQUCBEESA-N 441.488 0.997 30 10 ICEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCN1C1CC1 732652095 NCSMQQQIELXBAB-DLBZAZTESA-N 444.513 0.822 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 751724879 QLZMSVGWMAYXLB-UHFFFAOYSA-N 434.449 0.726 30 10 ICEE C#CCNC(=O)c1ccc(N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nc1 770126278 NFXXZBDXNIZVBK-LJQANCHMSA-N 435.532 0.804 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H](C(F)F)C2)CC1 801566359 BLOOLTPEZMAJLU-OAHLLOKOSA-N 428.461 0.357 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 807547360 CZIDATAHRQKNDU-OAHLLOKOSA-N 447.966 0.759 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCS(C)(=O)=O)C1CC1 812179352 SGONSXOUESFNMD-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 1142751235 IBWMBFTUDCOQKE-UHFFFAOYSA-N 425.463 0.831 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)CC1 1235343320 NLGHZVOCBKYUGG-HNNXBMFYSA-N 429.543 0.038 30 10 ICEE CN(CCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1298641832 VRPWUCPERUKEEB-DXQAYGFFSA-N 448.549 0.943 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300502853 YPIMCUSHRCPXKB-QGZVFWFLSA-N 435.550 0.454 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358996247 XZOHIUCADIGSLE-IBGZPJMESA-N 433.559 0.646 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)CC1 1359034089 CASHZXLXQGLASI-UHFFFAOYSA-N 449.606 0.407 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359034903 GANFGQCRMMPOCE-RTBURBONSA-N 430.553 0.422 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507626627 OHJSLUNEWUHUGI-DBVUQKKJSA-N 440.566 0.718 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507637148 IILSPCVWOROXGG-FGTMMUONSA-N 437.566 0.477 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1507703114 QOPLRNSFIPNDHY-QGZVFWFLSA-N 427.509 0.732 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507967936 OYBBJZVORUZDJM-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508078555 ZHJGHUOIOZCEPH-KRWDZBQOSA-N 443.533 0.637 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(C)(C)O 1509682482 CCRJJOQCSYTVDB-HNNXBMFYSA-N 441.540 0.954 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539231678 WUMROBLWLJAAMM-GOSISDBHSA-N 429.546 0.826 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1555808235 VDJPJEAXFYEKCV-FQEVSTJZSA-N 444.517 0.632 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 1588913428 JZUWASUFZMVFEW-UHFFFAOYSA-N 449.437 0.984 30 10 ICEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1596392034 CBDDONOALWEUSC-UHFFFAOYSA-N 429.564 0.349 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1COCCO1 1608453799 MQGNPUHNVLWGAE-HNNXBMFYSA-N 427.465 0.367 30 10 ICEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NC(=S)Nc3ccc(OC)cc3)CN21 1613879953 DCPGYYIWRJOTLK-NUJGCVRESA-N 429.546 0.453 30 10 ICEE CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC#CCO 1617900642 KPLBJJDSRYRQPH-DYVFJYSZSA-N 443.953 0.847 30 10 ICEE CN1C[C@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)CCN2C1=O 1618461969 ITIONZBGQVGHHD-HYEKCJMVSA-N 442.524 0.658 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3(CS(C)(=O)=O)COC3)C2)C1 1627795814 VYOPOTFNWVMKMG-TXKKKEFDSA-N 427.523 0.703 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCNS(=O)(=O)CC 1656936417 NPZKRHOELAXRPW-UHFFFAOYSA-N 437.584 0.590 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1698306506 HHARFWUWBNLRKZ-GOSISDBHSA-N 441.517 0.963 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCN(C)C1 1705593887 XLIWSVFTHGKRGN-JOCHJYFZSA-N 431.504 0.450 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1722332374 JRAYJWWNUFCQSZ-QZTJIDSGSA-N 436.582 0.699 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722372536 YSQMYKXNPQMFSG-CVEARBPZSA-N 426.564 0.292 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1722390986 VUWGRBPHHVDZOM-FUHWJXTLSA-N 434.566 0.610 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1722459273 HDJFURCHHJDJIR-CVEARBPZSA-N 425.580 0.067 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCC(=O)N(C)C)CC2)c1C#N 1725866924 GVGQJDBBALUOGT-QGZVFWFLSA-N 441.540 0.848 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC(=O)N1C 1726672011 PLSIZAYQRHAVMA-CQSZACIVSA-N 431.522 0.423 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1729308288 PGZRTUNXLHSNLD-SJLPKXTDSA-N 437.504 0.922 30 10 ICEE CO[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1729838379 HYCBPHKJQBUDEK-HOCLYGCPSA-N 426.543 0.776 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740946817 IDTXHFASFXZAND-INIZCTEOSA-N 447.565 0.746 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744025366 NLNADFJCAABQDZ-VLGSPTGOSA-N 445.524 0.948 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 1748929171 FQSPCCBAOYZNDP-IAGOWNOFSA-N 441.554 0.266 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1748990333 HAVOQPWGZYDFFV-WOJBJXKFSA-N 442.612 0.258 30 10 ICEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760449407 IZOLRDHLEJZVQN-UHFFFAOYSA-N 442.524 0.902 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(S(=O)(=O)NC)c1 1760455900 BZHUGUBHTMESPQ-ZDUSSCGKSA-N 442.567 0.467 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccccn2)C1 1770348243 IDGZJFBBFKKQAF-VQIMIIECSA-N 449.512 0.691 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497576395 IDXQCWAPXXULGE-UHFFFAOYSA-N 430.486 0.760 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 573268839 GSYCUCIXWPLNEQ-UHFFFAOYSA-N 427.548 0.791 30 10 ICEE C[C@]12CC[C@@H]3C(=CCC4=C=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]5O)C#C[C-]43)[C@H]1CC[C-]2O 585661057 KLZHLTXOYIKTBG-DVUNAECNSA-N 442.464 0.957 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(I)cc2O)c(=O)nc1O 1167526760 CXDLAHALTCBVDZ-UHFFFAOYSA-N 426.170 0.561 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1286379743 BRDABGTWJVBQLK-KXBFYZLASA-N 425.555 0.594 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300545312 NSSSQSFCWSJFQY-GOSISDBHSA-N 447.547 0.974 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CCC)CC1 1300699522 DXIRRHSLMBQCDK-KURKYZTESA-N 436.582 0.727 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 1312282213 DDWPNZWVXWVICR-UHFFFAOYSA-N 446.432 0.312 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1314547436 QDHSJADOTDEGJX-UHFFFAOYSA-N 437.570 0.974 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@@H](C)CC 1358890965 XWWKWYWDNCAAFO-FPXQBCRKSA-N 427.571 0.866 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359046962 MDJUTKNOBBRSMX-HXOBKFHXSA-N 442.564 0.917 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359056168 ZQCWMJCGGGDJLX-OAHLLOKOSA-N 430.513 0.851 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1465872435 NBVPDXWGNANOEY-OAHLLOKOSA-N 446.485 0.208 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1507616695 MFJYHFXOKGNURI-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOCCS(C)(=O)=O)CC1 1507883081 YZCAPEYNKSQXTD-CQSZACIVSA-N 435.572 0.106 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1508098878 SJLFYDGGFKDYQN-QEEYODRMSA-N 434.497 0.167 30 10 ICEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539224864 JEWMSFVBUFRYRB-QGZVFWFLSA-N 442.545 0.914 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539230927 ROTXIRQUVVLFKG-ZWKOTPCHSA-N 448.549 0.182 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 1539431354 RFDYCBYDWIJXFS-CYBMUJFWSA-N 438.583 0.046 30 10 ICEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1539676948 ZMSQEMGCZQVSOT-UHFFFAOYSA-N 425.555 0.743 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1540037119 BLHFHWAOZRALIT-YJBOKZPZSA-N 442.517 0.646 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1543554574 DVIIRNMSFGDUMK-ICSRJNTNSA-N 437.475 0.945 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1587639247 KSWIUDCCRIAGGO-ULQDDVLXSA-N 447.565 0.528 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588054298 NDBNPXJGQFJFLA-NVXWUHKLSA-N 446.533 0.703 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)NC[C@]34COCCN3C(=O)COC4)ccc2c1=O 1611624481 KLSBEIZIYZRZNN-HXUWFJFHSA-N 430.486 0.229 30 10 ICEE CNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1618834020 BYHATSLSKTZVFB-ISLYRVAYSA-N 444.540 0.855 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1620095276 VLSNDWKCIKOWOE-TXPKVOOTSA-N 439.538 0.292 30 10 ICEE COC(=O)CCN(CC#N)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1620511588 VSTLBJYJAVTQHQ-UHFFFAOYSA-N 436.534 0.866 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc1 1628334951 LVIXLLCSPKGWJY-UHFFFAOYSA-N 435.550 0.276 30 10 ICEE CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1cccc(C#N)c1 1654148665 HWGYEDYTVCCCSM-FQEVSTJZSA-N 430.530 0.920 30 10 ICEE CCN(CC)C(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c1 1656828695 VOXDWCNKJSMUSD-UHFFFAOYSA-N 427.461 0.303 30 10 ICEE C#CCN1CCC(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1666233259 QMUOVEDLJQEXFX-UHFFFAOYSA-N 441.575 0.392 30 10 ICEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1674080734 BESQYHVNDCJZMK-UHFFFAOYSA-N 431.536 0.922 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)CC1 1675633200 WVBYNCNXPIAJPE-UHFFFAOYSA-N 431.559 0.475 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689951265 REEHFRKKJVDVQC-INIZCTEOSA-N 445.545 0.913 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689995997 BTORMFFJDQAEGN-KURKYZTESA-N 449.577 0.842 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690678398 VESZJROIIFJBKU-LAUBAEHRSA-N 434.541 0.142 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1698310862 CSAYIISJFPQMGU-DNVCBOLYSA-N 433.513 0.987 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1705495605 SCDMNCDUXNIKCD-JZXOWHBKSA-N 436.582 0.553 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705561806 WNCPVEWDTMMPGB-ZIAGYGMSSA-N 429.568 0.315 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1)C1CC1 1705854850 PIJYLQHMUMVILL-YJBOKZPZSA-N 443.595 0.634 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1711397884 GGXWKVYMMXVGNI-HXUWFJFHSA-N 428.518 0.968 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1712318336 HFPHGQGCGWDQGW-UTKZUKDTSA-N 425.493 0.818 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1722383034 FNIFVCHLEJPQQJ-OALUTQOASA-N 448.593 0.416 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OC)C1 1740960760 ZVEOYFDCKZSSAF-QGZVFWFLSA-N 426.525 0.979 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740978873 DKVDFTSPPFZVOV-FRQCXROJSA-N 426.539 0.503 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1748859369 SHIYUMGOXPFZRT-LJQANCHMSA-N 442.545 0.630 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCS(C)(=O)=O)CC1 1749001630 YGFASHLOQBMVFM-IRXDYDNUSA-N 425.555 0.192 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1749729321 GWOKPQUNSFGMSF-UHFFFAOYSA-N 440.551 0.023 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1751982550 JMTDCBQGCMMKHT-GFBZJKCLSA-N 443.508 0.713 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CCCC 1760117644 RTIYZYKDULUELP-IAGOWNOFSA-N 426.587 0.801 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760530059 KIEQMIUCOMFGRA-GGXPGOJBSA-N 432.525 0.361 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1761502909 UGESUPYFSPWJOD-RRFJBIMHSA-N 440.526 0.160 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1762296420 KARBHKZFIUFXGE-KBPBESRZSA-N 430.494 0.351 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)nc1C 1858636832 OSCNTIDKYDVXAM-UHFFFAOYSA-N 431.540 0.157 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)CC1=O 1872918365 ZSBXMNBCIIPRNP-KRWDZBQOSA-N 448.545 0.223 30 10 ICEE NS(=O)(=O)c1ccc(C=CC(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)c(F)c1 2069682942 KDKBLAFWJPJNCA-UHFFFAOYSA-N 442.446 0.732 30 10 ICEE C#CCn1ncc(NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234024288 DYVVMUJDMGKWEY-BZPMIXESSA-N 443.298 0.392 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(=O)NCc1ccccc1 2247952023 LVCLERNGNPDBSA-UHFFFAOYSA-N 434.327 0.314 30 10 ICEE Cn1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822655 NSEMQPKXEHBQJV-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268765149 GLPHIGOLBWVNCQ-VBNZEHGJSA-N 449.313 0.660 30 10 ICEE C(COCC(COCCCOC[C@@H]1CO1)OCCCOC[C@H]1CO1)COC[C@@H]1CO1 114390019 SOHMVTGXMYTRAT-NJYVYQBISA-N 434.526 0.821 30 10 ICEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)C2 469496204 QUCARQYZALYUFP-UHFFFAOYSA-N 447.455 0.848 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CC1 478931877 DSZRQDNCGSWJSR-UHFFFAOYSA-N 438.525 0.670 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 558921749 SAIGPGNWWYSYLJ-HNNXBMFYSA-N 429.546 0.094 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CNS(C)(=O)=O)CC1 575823637 LJDYDSHYSPXHDB-CYBMUJFWSA-N 428.536 0.013 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@@H]1CCS(=O)(=O)C1 729332779 XKBDFOJUTTWLON-HZPDHXFCSA-N 443.547 0.341 30 10 ICEE CN1CCN([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2cccs2)CC1 732440993 BHKCMIPKCJPHDH-RAJOGRCSSA-N 432.550 0.862 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 737305004 DSZQZZFLKATZDR-IWHJNQCMSA-N 446.435 0.965 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 803849301 AQRQKVWEJLKWQX-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286509561 TVNVUIWEAJESKF-SFHVURJKSA-N 432.594 0.893 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[C@H]1c1cnn(C)c1 1297584309 VMGBJMCHZQWYIZ-VAMGGRTRSA-N 441.463 0.991 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300479109 IKUDKTGWEWXFIS-INIZCTEOSA-N 446.533 0.495 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300506145 NOZYLQZJFYPMRD-MSOLQXFVSA-N 446.577 0.693 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1300652684 DAEZWCHVAFKOSK-JTQLQIEISA-N 444.302 0.962 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1300709937 LVMFDROTOQYQQG-UHFFFAOYSA-N 425.537 0.850 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359041478 XQMQEHKMEUPHDI-DYTRJAOYSA-N 439.520 0.894 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1462894964 HOFYJDFLPFKRBP-CABCVRRESA-N 438.568 0.627 30 10 ICEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1469815226 QNIRCCIWZUTLHG-HNNXBMFYSA-N 426.491 0.748 30 10 ICEE C#CCN(C(=O)NCc1c(I)cnn1C)[C@H]1CCS(=O)(=O)C1 1471160973 AAAHYIGYJCIKEF-JTQLQIEISA-N 436.275 0.357 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)SC)CC1 1507736515 QPDJYQLOVFTDGB-KBPBESRZSA-N 442.611 0.606 30 10 ICEE CCS(=O)(=O)NCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1516849286 BNSWCXBYCQYMOD-GOSISDBHSA-N 448.549 0.740 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)ccc1F 1535108173 FGFUQCAJXXTICY-CYBMUJFWSA-N 448.494 0.092 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cc[nH]n1 1538983786 XPQPDTHIBIQFPW-AWEZNQCLSA-N 441.517 0.960 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539225410 NPCNZWCLQXOOPY-SFHVURJKSA-N 444.561 0.807 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1539231345 REQDPKVCAAWVIY-FUHIMQAGSA-N 438.550 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1539430436 JYIAZIFJTQCCHC-GCJKJVERSA-N 432.569 0.990 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1539669003 IMXOLPREXQYAFK-OAHLLOKOSA-N 431.584 0.618 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540904353 MKTNSXUOCLXGET-WBVHZDCISA-N 430.534 0.580 30 10 ICEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)c12 1542125341 QPWHWFBSYBEVFM-CQSZACIVSA-N 436.515 0.314 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCNS(C)(=O)=O 1544581972 CSTCCZTVUANLMQ-AWEZNQCLSA-N 445.553 0.472 30 10 ICEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1587894301 RXLYFDACMCZFRE-IIBYNOLFSA-N 430.509 0.816 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588053967 JHKQPLJBKLCDPL-IRXDYDNUSA-N 437.566 0.919 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1589216690 VHHHJLOVFMULMW-DNVCBOLYSA-N 438.554 0.081 30 10 ICEE Cc1ccc(C(=O)NCCc2nnc3n2CCN(C)C3=O)cc1B1OC(C)(C)C(C)(C)O1 1594082150 OACMEWLKOWNLPV-UHFFFAOYSA-N 439.325 0.944 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 1611710761 DYIMJJWUFDTNLV-VPWXQRGCSA-N 448.549 0.915 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1618582468 GUZMSMHPYKETGR-QFIPXVFZSA-N 437.504 0.638 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 1623498958 KYEYHQZVZAEFEF-AEFFLSMTSA-N 435.322 0.815 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 1623878132 MTNMUQDNHIPIBO-UHFFFAOYSA-N 432.278 0.958 30 10 ICEE NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1625082292 DPLLEXDCJDEMRW-VIFPVBQESA-N 426.676 0.860 30 10 ICEE N#Cc1cn(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)c(=O)nc1O 1625957273 HRFDSJHLTYNKGS-AWEZNQCLSA-N 432.234 0.283 30 10 ICEE C#CCN(CC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)C(=O)OC(C)(C)C 1626235409 LATJQMCEMQLKNI-INIZCTEOSA-N 430.571 0.928 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1645274780 WKNHPYHYVRITCE-OALUTQOASA-N 435.546 0.930 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689989737 IDVKDSANLQHBQU-IAGOWNOFSA-N 438.550 0.340 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1690465167 UFQJIKILGCAYKB-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565120 GCBZFSPQVRBPMV-IAGOWNOFSA-N 436.582 0.586 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565166 SWQNVUQPCLMCOB-SFHVURJKSA-N 445.545 0.898 30 10 ICEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705663457 IOYSNEIUQQBVMZ-UHFFFAOYSA-N 430.578 0.868 30 10 ICEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705689624 SZFPFZMUUOSVQH-CQSZACIVSA-N 446.309 0.320 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705899991 MNVJTHJNKCUQLY-MRXNPFEDSA-N 426.481 0.342 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)F 1705936079 JOXTZVBYGRTOFU-GFCCVEGCSA-N 426.511 0.872 30 10 ICEE CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711406797 WJMAORPAODQITF-UGSOOPFHSA-N 441.492 0.673 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1711419153 AEGYRZYFCAWIAV-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1O 1712833863 OKUKOXJHGKECSG-QAPCUYQASA-N 445.545 0.964 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1722361717 OQPYXSBHOJQNEZ-HNNXBMFYSA-N 432.506 0.742 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)CC)CC1 1722431989 RJUPEABXPBKEPB-SJORKVTESA-N 425.603 0.374 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)COC(=O)N2 1722736840 KJMKMAKXJTWFMJ-CQSZACIVSA-N 425.511 0.809 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1723778316 OQVHIPCFTYYWEE-HLAUDOPJSA-N 426.481 0.665 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccco2)CC1 1740700956 OQIZNSCEBWTIAT-QFIPXVFZSA-N 442.520 0.883 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)CC1 1740706610 XZICVRCDHXYONZ-INCQDFKNSA-N 432.550 0.106 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740985092 BEAADMXKULVKRL-KXBFYZLASA-N 441.554 0.401 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(C)(=O)=O 1748672702 WYZZQLBKUJIPHU-MRXNPFEDSA-N 446.581 0.849 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC 1749159347 SOGADINHPXGHEN-HNNXBMFYSA-N 449.599 0.448 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1749402147 KKZIEDHYLBBGGK-JKSUJKDBSA-N 441.554 0.967 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749520009 WROHHNZKQLMYPM-GJZGRUSLSA-N 443.595 0.617 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1 1749677636 GOBPKYGVUNZNII-UHFFFAOYSA-N 428.522 0.942 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1749721461 KPTIYUFQAQQWNE-UHFFFAOYSA-N 438.554 0.124 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749754486 NXOHPCOWXMYOQQ-RDJZCZTQSA-N 447.609 0.938 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNS(C)(=O)=O 1760148743 KVRAJOORJLPMQW-UHFFFAOYSA-N 429.510 0.320 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760187659 KVMSDWLBSUGAJL-DLBZAZTESA-N 448.593 0.730 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccoc2)CC1 1760269598 MKZDTRJPFSDONX-QGZVFWFLSA-N 431.518 0.787 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760273766 AZYXXUBECSGDCC-ZDUSSCGKSA-N 449.624 0.268 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760521713 BKTSMGZPUZYTMX-UHFFFAOYSA-N 431.541 0.096 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1760528621 IFHQTXXXPZSRCV-DYESRHJHSA-N 445.524 0.544 30 10 ICEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(C)(=O)=O 1760734755 NOWYYCNOJIHUIO-UHFFFAOYSA-N 432.554 0.718 30 10 ICEE CC#CC(=O)N[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)C1 1775942179 UOYRYOBQBZYACX-HNNXBMFYSA-N 445.501 0.364 30 10 ICEE Cn1c(N2CCN(CC(C)(C)C(=O)Nc3ccc(CC#N)cc3)CC2)cc(=O)n(C)c1=O 1852776866 QXPNTTPARSBDRL-UHFFFAOYSA-N 438.532 0.937 30 10 ICEE NCC#Cc1nc(=NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)s[nH]1 2110062416 CDSFTFRUIQEOBC-UHFFFAOYSA-N 433.515 0.478 30 10 ICEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@H](O)[C@@]3(O)[C@@H](C)O1 257519165 QBQXQYSJPWXZJL-TURZVCKVSA-N 444.392 0.288 30 10 ICEE biogenic COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1OC 409727254 NAOCJUOSBUMVKK-ZDUSSCGKSA-N 448.505 0.697 30 10 ICEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 478744250 HJMWLNRXLSPVPO-IRXDYDNUSA-N 425.510 0.983 30 10 ICEE CN1CCN(c2ncc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cn2)CC1 506787735 ATLSFCAMGMHGIN-UHFFFAOYSA-N 441.561 0.607 30 10 ICEE C=CCn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 509012479 MEADHEVUEWNDNR-UHFFFAOYSA-N 436.520 0.830 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@H]1CCCO1 544077808 OOBWFPBPYNARBA-CQSZACIVSA-N 441.538 0.585 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 603506999 PLAQLCSBBQACTI-UHFFFAOYSA-N 435.536 0.787 30 10 ICEE COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1C 727164045 KOTYNGKSPMDEHR-UHFFFAOYSA-N 432.527 0.111 30 10 ICEE C#CCN(CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 749281295 PYBFGJZZPBPQHC-IBGZPJMESA-N 449.573 0.839 30 10 ICEE COc1ccccc1NC(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 750514964 AGHIGSTUFLVKBW-QURGRASLSA-N 441.488 0.694 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 771296425 NUTVNEIXPNPXJY-MRXNPFEDSA-N 426.516 0.207 30 10 ICEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771298781 XSQBFFZGZCQEDD-QVKFZJNVSA-N 449.529 0.972 30 10 ICEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 813983805 HXCAKYDVMRVUIR-CYBMUJFWSA-N 426.501 0.673 30 10 ICEE C=CCNC(=O)CN1CCN(C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 816483354 PFXUPERJDNLJRX-SFHVURJKSA-N 437.585 0.670 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@]2(COC)CN(C)C)ccc1F 1132761122 NIUJETMJOOXPRA-IBGZPJMESA-N 429.514 0.709 30 10 ICEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1155846784 DNLLFDRZDZYEPO-OAQYLSRUSA-N 426.429 0.898 30 10 ICEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 1167532037 XTEKRDJBEILTGF-UHFFFAOYSA-N 438.502 0.844 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1286420591 RVXHTVJUUQOQET-INIZCTEOSA-N 434.566 0.800 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1286467712 UAWPOAAEVKOUMW-SJORKVTESA-N 438.550 0.809 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC1 1288861582 BHALYTJYSJGQEP-ZIAGYGMSSA-N 445.553 0.675 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300764243 UYUGYPJZBCBCRU-GJZGRUSLSA-N 441.579 0.824 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)CC1 1301577505 PGZHAHQTMVMSIY-UHFFFAOYSA-N 447.517 0.643 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358960643 IUHHWIZAXHWOID-XGHQBKJUSA-N 445.545 0.815 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1473183440 ZMMMLHUVGBCSTM-UHFFFAOYSA-N 449.515 0.765 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507952935 CBWKAZBKDBGNMO-CVEARBPZSA-N 445.611 0.912 30 10 ICEE CSc1ccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1C#N 1565346533 RJVMQLGOEFCQBI-UHFFFAOYSA-N 429.502 0.783 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1570741076 BOKRCFDOQUMDET-BFUOFWGJSA-N 439.501 0.856 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588054299 NDBNPXJGQFJFLA-RDJZCZTQSA-N 446.533 0.703 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)cc2)CC1 1588864580 GPOPOVUXARRTBO-UHFFFAOYSA-N 449.559 0.894 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1594733326 RAGWPMHPTHWSHH-HOTGVXAUSA-N 438.554 0.388 30 10 ICEE O=C(NO)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1618007625 MCBOKYGEGKBGPO-UHFFFAOYSA-N 433.486 0.881 30 10 ICEE N#C[C@@]12CN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1639175719 ZCICDNNUTODQCY-GUYCJALGSA-N 429.495 0.281 30 10 ICEE CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1644087723 SNQKBADCXYTNTH-UHFFFAOYSA-N 436.472 0.303 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)cc1 1645552349 VOJAEMZHDUQSRM-OAQYLSRUSA-N 434.514 0.909 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)CCO1 1648121023 YIISVLXKRFBUDF-UHFFFAOYSA-N 429.520 0.474 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 1654380597 DATIZMHQHMPHGS-ROUUACIJSA-N 441.488 0.718 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC(=O)N1C 1693781682 AASRUBSYSXUFNT-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1695381803 NDJMZSCBUWZAKW-BRWVUGGUSA-N 439.586 0.882 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1696502155 OJJUFAQYKZQNQW-HOTGVXAUSA-N 446.489 0.870 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1705628571 KTAATIUOHCBKFB-CABCVRRESA-N 431.584 0.449 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705638275 FFJFSXJSGFKLOD-SFHVURJKSA-N 443.577 0.685 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1705903655 ZVRPBAVIQICJOM-OAHLLOKOSA-N 441.554 0.318 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1705940066 URQJSKCAMXUVEC-ZIAGYGMSSA-N 430.600 0.770 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1722727939 QHJIYFIOAJAWDP-UHFFFAOYSA-N 448.549 0.720 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722728680 AIPXEXRZDYHYKD-MRXNPFEDSA-N 432.506 0.506 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740580962 LWWKWLAEVWUYOK-HNNXBMFYSA-N 431.522 0.857 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740991211 QTSJYPNKZGPRPF-KKUMJFAQSA-N 427.527 0.070 30 10 ICEE Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1742500938 HEPYIOOEMXIXBN-GOEBONIOSA-N 436.542 0.412 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1748291771 AKAFWSLSMNEZCN-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1748809892 QDWBMNDRNUIUOH-OAHLLOKOSA-N 444.496 0.788 30 10 ICEE C=CCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749439620 FCFWOJVABHIBFV-KKSFZXQISA-N 432.525 0.432 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749676852 GFBSGUNSLKOOIN-QZTJIDSGSA-N 427.505 0.726 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2noc(CC)n2)CC1 1760269292 DRLZYBPUJLLOAH-MRXNPFEDSA-N 427.509 0.936 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2=O)CC1=O 1854017993 IGMFTYKBSCAFAX-GFCCVEGCSA-N 427.429 0.359 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)C(=O)C2)C1 1856848932 AEXAYYMBRKMFHK-RTBURBONSA-N 430.530 0.390 30 10 ICEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684502 ASGOPHJKEIILFQ-JTQLQIEISA-N 428.320 0.737 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1=O 2286047431 GYXPYPCVWHEJCR-INIZCTEOSA-N 439.490 0.114 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@@H]1CCCO1 540695670 DCAGRUYLIKOGRM-INIZCTEOSA-N 442.541 0.830 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)n1 546918255 WYHGIUCAXOMCPC-UHFFFAOYSA-N 448.527 0.864 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCOCC4)n3)CC2)nc1 558120807 LIRPXSQGTSUKRM-UHFFFAOYSA-N 435.488 0.150 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 609253944 RDHOJEBCDGCHGB-GJZGRUSLSA-N 439.513 0.879 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cn1 772301800 YYEHBANFMXJVTH-UHFFFAOYSA-N 428.477 0.849 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)nn1 1230272174 RCJZFDXUJCDZPN-UHFFFAOYSA-N 425.559 0.801 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1286294921 GUMIDWPGAVSQMY-YVSFHVDLSA-N 425.555 0.620 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286389559 MJIRTPDEOQXOFW-OAHLLOKOSA-N 425.474 0.818 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2COCCO2)CC1 1286486812 BOOHKLFNYLPUMB-WMZOPIPTSA-N 435.525 0.383 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1286955475 YWGWMFUCFOSQOO-OAHLLOKOSA-N 425.493 0.922 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(S(=O)(=O)CC)CC2)s1 1296190484 VLEUIEJOPILFTK-UHFFFAOYSA-N 449.620 0.933 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300479337 LWRRLCDSUJXCLE-SJORKVTESA-N 438.598 0.773 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1300665161 IZTZZFBDVPBENS-UHFFFAOYSA-N 448.545 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301499123 YJBMJEDEAZXLRG-IKGGRYGDSA-N 431.541 0.078 30 10 ICEE CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1307389716 WEVMMHWSQPWNKC-UHFFFAOYSA-N 441.488 0.368 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 1310044638 UJGTXJWHCVEDDZ-UHFFFAOYSA-N 432.510 0.205 30 10 ICEE CCO[C@@]1(c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1314097736 ZFWTVEYJHYOIMY-SFHVURJKSA-N 438.510 0.429 30 10 ICEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1338929050 QUBCTCSPGNXIGL-MRXNPFEDSA-N 430.548 0.982 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1358912959 CAZXXSGHYYAGAR-ROUUACIJSA-N 438.598 0.945 30 10 ICEE CC(C)Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1359776516 MKKJTDJFAKULME-MGPWXQLLSA-N 438.554 0.872 30 10 ICEE C#CC1(O)CN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1456807636 CNAJJQHNJWOKFS-HNNXBMFYSA-N 428.514 0.751 30 10 ICEE C[C@@H](C(=O)N1CCC[C@@H](n2nncc2I)C1)n1cnc(C#N)n1 1471494420 LGKOSVRAVUZQQW-VHSXEESVSA-N 426.222 0.771 30 10 ICEE CNC(=O)C1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1471903183 MRJLYMXNRTVPIT-UHFFFAOYSA-N 436.534 0.697 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1508131309 LMDIEVVMZZVVKL-PBHICJAKSA-N 449.599 0.494 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1539231093 OHNVJIAYGNXZJH-DLBZAZTESA-N 432.550 0.900 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539517291 LINUFPQCOSRNCS-CQSZACIVSA-N 448.574 0.203 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539744379 KAMQUSYJTGYAGG-SJORKVTESA-N 432.525 0.650 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)CC1 1539891145 ZIPGJXOLVGWXCW-CVEARBPZSA-N 431.534 0.998 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540869713 UWVJZMBYNFDMEZ-JKSUJKDBSA-N 445.568 0.910 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1540919970 KEQGFPXYPZOGMI-UHFFFAOYSA-N 442.611 0.791 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1554452644 ZNFSAIXIXOWQPI-SFHVURJKSA-N 441.492 0.206 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1556152494 PVWLHWGRNHLKEO-UHFFFAOYSA-N 439.295 0.514 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588025103 SEKJGOWTRJIYSE-KXBFYZLASA-N 425.555 0.450 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NC(C)C)CC1 1588763117 RSCDYPNGUDIYEF-UHFFFAOYSA-N 444.561 0.628 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2(O)CCOCC2)CC1 1588930426 VTFMIBUVKGQPFH-SFHVURJKSA-N 431.537 0.679 30 10 ICEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1617666610 DLKDNYCFLOENEJ-CVEARBPZSA-N 431.522 0.418 30 10 ICEE C#CCN1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1629536735 ASRZGSYFTMYCDT-INIZCTEOSA-N 437.518 0.777 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 1631331383 XFHNDMOSHGVNKC-QXAKKESOSA-N 430.530 0.631 30 10 ICEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1638392462 CRAGCQDTNPZKFR-XJKSGUPXSA-N 432.568 0.207 30 10 ICEE Cn1[nH]c(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1=N 1639463752 ZPFOJFBHFIFHCD-UHFFFAOYSA-N 431.522 0.453 30 10 ICEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1643702862 FOEGLYXJAQSJAU-IBGZPJMESA-N 425.474 0.467 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCC(=O)c2ccc3c(c2)OCCO3)CC1 1644285555 RFFFEOWLTGVEEJ-UHFFFAOYSA-N 435.502 0.423 30 10 ICEE N#C[C@@]12CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1646439761 QUNOUQPZJXIJPW-LRDDRELGSA-N 426.292 0.576 30 10 ICEE COc1ccc(CN2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1654888713 FATSTMRZFRIWDD-RXVVDRJESA-N 432.546 0.210 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690668653 DCLJEQXWICGXRN-MRXNPFEDSA-N 428.541 0.969 30 10 ICEE COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1697761455 RPTHYAIHLZUHSS-GDBMZVCRSA-N 427.465 0.426 30 10 ICEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1698335944 MHYMYEIOTOQEDK-XJKSGUPXSA-N 425.518 0.715 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1698486258 IQALULPCWRSGJZ-PBHICJAKSA-N 444.558 0.950 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705510313 OZZGACUJYZHRJV-LSDHHAIUSA-N 426.543 0.969 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705661545 DRVYFBKTQLGCLQ-CQSZACIVSA-N 439.563 0.625 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705694638 SFDATFWUBMETSZ-YWTNHNAXSA-N 447.536 0.856 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1705699469 HKBHLBMXCJXQLX-IKGGRYGDSA-N 443.570 0.675 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1 1705843298 BPBYOUUTICKGLI-KRWDZBQOSA-N 448.549 0.575 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705943736 JJRPZRSQVOGODG-KBPBESRZSA-N 445.553 0.680 30 10 ICEE CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1711032975 QKIZNHJOQIMKDC-UZXCTNKVSA-N 431.522 0.697 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1722671982 HHBRBRDIRUIBEE-MAUKXSAKSA-N 443.595 0.657 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1730095317 HBFLQQFLCSDQQZ-KRWDZBQOSA-N 435.506 0.744 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1740684751 ARXNUPWPVXGWQX-IAGOWNOFSA-N 425.555 0.682 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740961433 BUJSPYJQYCRDAM-UHFFFAOYSA-N 446.515 0.924 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748718842 UKTUEDQYFUEJSD-INIZCTEOSA-N 445.549 0.570 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1748970435 DBKKAXAEMISICF-KRWDZBQOSA-N 435.554 0.351 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749649981 FOQSLUGQCWKFBC-UHFFFAOYSA-N 431.541 0.511 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1760185960 HRFCJSMDEJLJDW-HNNXBMFYSA-N 433.538 0.256 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N(C)C)CC1 1760257998 NVQCAVQVUYCGCZ-UHFFFAOYSA-N 432.550 0.600 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760545278 REFYZLSKKVNOQZ-HOTGVXAUSA-N 433.538 0.798 30 10 ICEE CNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1767693370 CUHBVBAPSVRGFU-ZZEZOPTASA-N 429.525 0.965 30 10 ICEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1772789708 DONFMYNGKMSTFI-IOASZLSFSA-N 434.470 0.851 30 10 ICEE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772789711 DONFMYNGKMSTFI-WWGRRREGSA-N 434.470 0.851 30 10 ICEE CC1(C)C(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CCN1Cc1ccc(C#N)cc1 1857173271 ZUFOSPBCWZIIBH-UHFFFAOYSA-N 430.530 0.932 30 10 ICEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255628068 CIVOZHRBVYKGJO-GFCCVEGCSA-N 436.318 0.809 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCCO1 477456885 CRUOFXZXXBVSQW-ZDUSSCGKSA-N 431.539 0.964 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1(C#N)CCOCC1 563878849 XXBPLIBKQHRRNX-UHFFFAOYSA-N 436.534 0.824 30 10 ICEE Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COC(C)C)cc1 606631063 UHYHUWPVDKSYKR-YJCKXXIQSA-N 428.493 0.974 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C 729669349 LWAKYVGSHYLPFT-UHFFFAOYSA-N 437.525 0.764 30 10 ICEE N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1C1CC1 732914167 MJMVRIXIBRJAQQ-HKUYNNGSSA-N 440.552 0.664 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CCN3CCOCC3)c2=O)cn1 772280587 WRUINQMYIKGUDY-MRXNPFEDSA-N 441.557 0.657 30 10 ICEE CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)CCn1cc(C#N)c(O)nc1=O 1154832304 YDPBBKRJZYCVEO-LLVKDONJSA-N 425.371 0.900 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)CC1 1286473455 SWDDIKLAWUCHIK-NRFANRHFSA-N 428.541 0.743 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300491383 HLZCKCZSUZFEEY-TWMKSMIVSA-N 435.550 0.407 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)CC1 1300691308 UELIONKSAXNWDG-UHFFFAOYSA-N 439.545 0.798 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1315608288 FVVHILCDYWTVRN-HNNXBMFYSA-N 435.506 0.744 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)[C@H](C)CC)CC1 1359029037 MSOQFUKGURKLCR-IXDOHACOSA-N 426.587 0.705 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359037342 GFSCTXLBESRHSR-UHFFFAOYSA-N 433.538 0.093 30 10 ICEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNS(C)(=O)=O)CC1 1359038653 DSNSRKOOSHLKNQ-UHFFFAOYSA-N 446.577 0.778 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C1 1359312772 APBFFIPCYPVTPO-FXUDXRNXSA-N 429.543 0.210 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)CC1 1455114712 IAYZPBFXLCJSFM-UHFFFAOYSA-N 442.423 0.512 30 10 ICEE C#CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1464376110 BJBVYISQTGILKQ-WBVHZDCISA-N 443.566 0.691 30 10 ICEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1478806220 PXINMQWVUJFHIA-HXUWFJFHSA-N 435.594 0.993 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630887 JHJGITMQFROLEM-SJORKVTESA-N 446.533 0.557 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCOC2)CC1 1507722627 CEMFPNRHYQDIBY-JOCHJYFZSA-N 427.505 0.869 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508084408 BCIRXENZPSFPQQ-CABCVRRESA-N 447.540 0.882 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1511715608 FAILMAPOFNKAEU-SJORKVTESA-N 433.538 0.693 30 10 ICEE CC[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512793873 XATMWRWSYPGWCF-GGNAOWBESA-N 436.538 0.941 30 10 ICEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1519352547 BJVZWLMJHPNZAB-SFHVURJKSA-N 448.549 0.998 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)c3cc(Br)ccc32)C1=O 1536331892 FEHDCUAXYLQWFF-UHFFFAOYSA-N 435.234 0.502 30 10 ICEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@](C)(C#N)CN(C)C)c1OC 1544116621 CJVJJAOFNBSCGQ-LJQANCHMSA-N 440.522 0.298 30 10 ICEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(C)=O)CCOC1 1547916704 YUWPMZSNCDEZTM-WIYYLYMNSA-N 431.541 0.633 30 10 ICEE COCCN1C[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1555572502 ADJDMTSDDDTWHF-IRXDYDNUSA-N 425.493 0.872 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1595556389 TUVBKCMBZNFGSG-UHFFFAOYSA-N 439.567 0.419 30 10 ICEE N#Cc1cncc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)n1 1611766106 AFVLPBLJRXRUNY-UHFFFAOYSA-N 434.865 0.843 30 10 ICEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1645997504 BNPPIGOFQZVGQO-IFXJQAMLSA-N 437.522 0.808 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCCC1 1692799403 HAFVHLKUVNHUGG-ZBFHGGJFSA-N 426.543 0.966 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705540031 LDRGWWCTESKONY-UHFFFAOYSA-N 435.532 0.932 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705559078 QGRRGUDNEPPRRC-QGZVFWFLSA-N 435.550 0.734 30 10 ICEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1706349223 JMDBFGUIZUMRDC-VYJDPBSCSA-N 443.508 0.617 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1711073706 FAARBTCXLCKBNM-KRWDZBQOSA-N 446.533 0.644 30 10 ICEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1711422943 QHXIUXAIFNJPGH-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1722723961 JRQBZLXCOSDTQU-RHSMWYFYSA-N 444.583 0.619 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740599410 AGVVIXZZUAEKNB-PKOBYXMFSA-N 446.577 0.859 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748824356 ONOIKPHSWUEBIJ-JKSUJKDBSA-N 428.580 0.872 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1760137931 OEWDQBJISGSUTD-GOSISDBHSA-N 447.565 0.883 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)N2CCOCC2)CC1 1760270291 OACWBENWUXGXJX-UHFFFAOYSA-N 430.553 0.691 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760321742 JQCQOKYXLWUQIB-YLJYHZDGSA-N 443.556 0.793 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1760523031 KHKJZZOXQMYXOH-UHFFFAOYSA-N 441.536 0.930 30 10 ICEE Cc1ccc(C(=O)N2CCN([C@H]3CCN([C@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1C#N 1854978816 ZVUISOUSROPIBW-OALUTQOASA-N 430.530 0.413 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)[C@@H](C)C2=O)CC1=O 1855050216 JXFJZMVUIRXXTP-QWHCGFSZSA-N 441.456 0.747 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)CC1=O 1855149602 QDGWWPDCTGIAAV-GOEBONIOSA-N 425.507 0.573 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(Br)c1 1865722220 MRMWIHGKJRWCNR-GFCCVEGCSA-N 447.289 0.843 30 10 ICEE Cn1nnc(Br)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914901261 LRRSORFHOJIFCI-ZDUSSCGKSA-N 425.312 0.976 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NCc1occc1B1OC(C)(C)C(C)(C)O1 2247107273 PHZVSLSLIDDQOB-UHFFFAOYSA-N 426.319 0.917 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247875697 ASDARJHTPSSZGI-WDEREUQCSA-N 443.335 0.058 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255694717 SDSONVXRMOEXAD-UHFFFAOYSA-N 437.306 0.138 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@H]1C2 2517061 CXCVEERYMJZMMM-ZQNCNBDLSA-N 426.425 0.456 30 10 ICEE CC(=O)O[C@@H]1[C@@H]([C@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@H]21 106380728 ASSGEEKBKJCWQS-VNIVASGNSA-N 444.458 0.996 30 10 ICEE CCOC(=O)[C@@]12OC[C@@]34[C@H](C[C@@H]5C(C)=C(O)C(=O)C[C@]5(C)[C@@H]3[C@H](O)[C@H]1O)OC(=O)C[C@H]24 257397325 CMVMKMSNNMBUMZ-DJHFZYLJSA-N 436.457 0.419 30 10 ICEE N#Cc1cccc(-n2ccc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)c1 409565592 MXIKJZIDPXFKTE-UHFFFAOYSA-N 430.490 0.079 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 447276718 CTFRDRLTWKFVKS-UHFFFAOYSA-N 448.346 0.717 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)nc1 474357044 OUGQZBPNMINKGC-QGZVFWFLSA-N 440.525 0.154 30 10 ICEE Cn1cc(S(=O)(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1 503673271 UKONYTTUGTZHHX-HNNXBMFYSA-N 434.503 0.110 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 544671038 AKPLFADRXPLINC-OAHLLOKOSA-N 426.520 0.151 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603797710 FUFPGDKWKTXMAL-OAHLLOKOSA-N 431.539 0.512 30 10 ICEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619710086 CHEKIDHGMMTZLV-HUUCEWRRSA-N 436.538 0.973 30 10 ICEE CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl 732707849 GDSDWOGCYKVQLH-AWEZNQCLSA-N 439.925 0.728 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 747869666 JEPHILJGUGYBGR-UHFFFAOYSA-N 426.926 0.098 30 10 ICEE CNC(=O)Cc1nc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cs1 754816566 BBMUGJAWWYFHTE-NSHDSACASA-N 436.515 0.992 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)n1 790105547 PKIUAOFBXDPZGX-UHFFFAOYSA-N 437.504 0.883 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N=S(C)(C)=O 1162646404 SEZAZCGLPOAIQD-CYBMUJFWSA-N 428.536 0.654 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1286410780 WLAARVHQOIVQBB-IBGZPJMESA-N 439.541 0.855 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1286462678 QTWZTIFGNYLXLU-CQSZACIVSA-N 435.506 0.527 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286504646 UMVFAKSARWDEBB-UHFFFAOYSA-N 430.582 0.692 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286628787 GHIZRTRQEIBCRI-MJBXVCDLSA-N 444.945 0.078 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286779376 ITIOVGMASCTNJP-HNAYVOBHSA-N 441.554 0.319 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286818087 BOCVBQGWEWLOGX-KBPBESRZSA-N 442.567 0.594 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N1CCCCC1 1286958748 BKXZBTYVAFAFBX-GJZGRUSLSA-N 425.559 0.887 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NC(C)C 1297287560 FWSYVZNYSSWNKI-OAHLLOKOSA-N 427.513 0.716 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300486760 AQSYNVDMFJXDNB-HNNXBMFYSA-N 439.563 0.345 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nncn2C)CC1 1300732320 MFZZCQWDJGNCBV-WMZOPIPTSA-N 442.524 0.145 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnnn1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358956301 DFQZLKMVFNSFRX-GOEBONIOSA-N 432.554 0.863 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359037953 FMPMLRBRNPFWCF-LJQANCHMSA-N 427.553 0.414 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1471451225 PZWSPUAFDBDBEL-DNVCBOLYSA-N 444.554 0.013 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1504530248 ADFUCOZKYMFVSL-QFIPXVFZSA-N 437.504 0.590 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1507715660 AYIAJFWUULXJHL-FQEVSTJZSA-N 448.549 0.188 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509678765 GMFIQCUXHNDMRO-HTXNQAPBSA-N 444.540 0.473 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(O)CCN(C)C2)CC1 1539469162 OGFYPGPIVOHZSN-VGOFRKELSA-N 448.568 0.035 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)nn2C)CC1 1539487942 BUPRFQLJBFZRFR-UHFFFAOYSA-N 438.536 0.457 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540863022 NYNGFLXRCFQUPR-KRWDZBQOSA-N 433.557 0.075 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540902859 SGERGMXBXNSRPC-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1543554575 DVIIRNMSFGDUMK-QUCCMNQESA-N 437.475 0.945 30 10 ICEE COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1555381572 ONYPGWFYZSZTRU-ZENOOKHLSA-N 438.510 0.641 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1558362147 NBNQCKHQTSTPDT-INIZCTEOSA-N 429.502 0.801 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1588857544 PZPFTMQPZRKBHK-UHFFFAOYSA-N 432.532 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)CC1 1624276340 MJWRQQTTWVGLBP-GOSISDBHSA-N 449.533 0.222 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c1 1634782809 SWEBPFAGCSGURH-GOSISDBHSA-N 441.575 0.486 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1648500032 GCCQDAHUYFKPKY-ULQDDVLXSA-N 445.582 0.538 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689980598 VBYRWAUHEYDGNO-KKUMJFAQSA-N 443.595 0.561 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1690661653 CLGYGLSDUPRFST-UHFFFAOYSA-N 443.508 0.726 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1705476397 ZDEZMRSTYQINOO-CQSZACIVSA-N 425.555 0.594 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705635762 KBDGZUFEVAPCCZ-SFHVURJKSA-N 432.488 0.560 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCOCC2)CC1 1705652497 BNQCHIXMWMUCRK-PKOBYXMFSA-N 430.553 0.816 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722706414 RGQCTXIVXZRILE-UHFFFAOYSA-N 428.493 0.785 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1723927982 CPDKGHIBXANNKR-ZIAGYGMSSA-N 447.521 0.602 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCC(F)F 1723952735 OHGOMITXQVWPDJ-JSGCOSHPSA-N 447.512 0.347 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCS(C)(=O)=O 1726642472 ICBIZHHVIHTUCL-CQSZACIVSA-N 430.538 0.967 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(C3CC3)C2)CC1 1740701242 ZKPODGUBMRAJFH-QGZVFWFLSA-N 441.580 0.866 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740782107 CDXFRJMTLHZGDI-CQSZACIVSA-N 431.584 0.664 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCC2 1748949487 BPMDKSKOAADPQM-OAQYLSRUSA-N 429.525 0.991 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749520011 WROHHNZKQLMYPM-LSDHHAIUSA-N 443.595 0.617 30 10 ICEE CC(C)N(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750075302 CTNPOEOPFGEKAR-IAGOWNOFSA-N 441.602 0.937 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1750201184 JUTGPMVTLKHNAE-RHSMWYFYSA-N 447.558 0.837 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)CC1 1760256518 HPHHPUKCDRPYRF-FQEVSTJZSA-N 440.495 0.455 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)CC1 1760389961 XQXPAVBPPTWNJY-BEFAXECRSA-N 438.554 0.246 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1760519633 KHFGQHYACCKQIG-UHFFFAOYSA-N 443.533 0.781 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cs1 1762296139 GWZYHYOLAZXTPW-OAHLLOKOSA-N 431.522 0.645 30 10 ICEE CCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764815056 IHWFNSDINBQGKW-JVMRMLDLSA-N 429.525 0.525 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1770202086 MRBHJGGQWAQEFT-XSWJXKHESA-N 427.502 0.879 30 10 ICEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1770599800 KJLGHVHDZMWQLX-MRXNPFEDSA-N 425.518 0.717 30 10 ICEE C[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247904943 QTTXWYNQTOPJMN-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2267546934 DFCTYILIEFZZCC-CYBMUJFWSA-N 446.317 0.699 30 10 ICEE C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OCC)=C(N)N(CC(N)=O)c1ccccc12 20609254 NZDOPFNGGAMCDX-QFIPXVFZSA-N 441.440 0.523 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)c1 439100183 NTHPGUIUJSPBCY-UHFFFAOYSA-N 444.531 0.391 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cnn(CC)c1 729672330 IOZDKWMQAUHCRJ-UHFFFAOYSA-N 445.508 0.568 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOCC)c2=O)cn1 735069595 WIEKQNFNKDNOAA-UHFFFAOYSA-N 429.546 0.678 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763459979 CRDFDOXFBCPWQQ-OAHLLOKOSA-N 447.520 0.763 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 790108256 WNGIIKFLOIASSK-CEXWTWQISA-N 434.562 0.975 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1286580647 AWRWIRSPEHATEQ-OHZJNBGDSA-N 445.611 0.925 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286793305 CKFMRIUFQQROPK-KKSFZXQISA-N 432.525 0.432 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286820410 LBKRVZQYDWWLMH-IAGOWNOFSA-N 425.555 0.687 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1286825525 RYWNNGSHBMJENU-JYJNAYRXSA-N 441.554 0.305 30 10 ICEE CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1297740450 PXTWOOBQZNUSSE-GFCCVEGCSA-N 445.416 0.675 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300493963 XPSUOAXCWISQCB-INIZCTEOSA-N 428.580 0.997 30 10 ICEE CCOCCCN(C[C@H](C)C(=O)OC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1353687244 POGJRDWLSIRUMT-AWEZNQCLSA-N 425.507 0.789 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358960127 YAJLUXAMBKHBHW-MGPUTAFESA-N 434.493 0.862 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358961307 WEKDELCNRIOYQX-OAHLLOKOSA-N 431.522 0.134 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1359023978 CACZPGHTJOGHKJ-INIZCTEOSA-N 443.595 0.247 30 10 ICEE N#Cc1ncn(CCNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)n1 1459893205 YOCIZOCOKQZRGA-UHFFFAOYSA-N 430.266 0.800 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 1460116499 CNFGWDRJVKQLKZ-SFHVURJKSA-N 425.532 0.919 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)c(I)cn2)C1=O 1460263021 ONGHHKQSNLEHEQ-UHFFFAOYSA-N 428.186 0.910 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1503672024 FBSCYILRDRMTKU-YWZLYKJASA-N 444.517 0.556 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507630949 AHEZQSDXFYCGFD-SQNIBIBYSA-N 448.593 0.730 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508062051 IYNWYWUTWGADJM-UHFFFAOYSA-N 426.525 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508145125 XPNOOMBFSQXYGO-FQEVSTJZSA-N 430.534 0.581 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1516850408 GRZGSQQOLOMZPA-PBHICJAKSA-N 444.583 0.250 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539427975 KZMAEQSSXIRBHD-HXUWFJFHSA-N 442.612 0.295 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1539722214 CFIKZYMUEHRXAF-NRFANRHFSA-N 432.525 0.434 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)C[C@@H](C)O1 1540761018 UDLNFZLRQSXHMX-PIEANVHJSA-N 439.509 0.906 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1541117007 YGQXJKCFDHKNRS-LSDHHAIUSA-N 431.584 0.991 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1545928621 FRACTJKCKRLGBH-WBVHZDCISA-N 447.540 0.420 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588006014 ADDUCJZXIUORJX-IRXDYDNUSA-N 434.566 0.674 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588064225 DKWRUOGHMMVXEW-GOSISDBHSA-N 425.518 0.672 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588120346 LQBKOTYDUBLJHC-IEBWSBKVSA-N 441.561 0.956 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1595569892 QDMSTVYUZXRYBN-UHFFFAOYSA-N 438.554 0.106 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602721 PFNNKXNRKDRMIU-JKSBSHDWSA-N 446.552 0.678 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@@H](C)C1 1596183327 FUPODUQAWLKFFX-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H]1O 1618883735 BZTCAJANXYJAGJ-KZNAEPCWSA-N 427.461 0.592 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(OCCO)CCOC1 1628960395 PRODFQDTXZCBKR-OXJNMPFZSA-N 439.534 0.424 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1675705065 NCVWSEMVNHMSHD-HXUWFJFHSA-N 449.577 0.627 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1689840468 ZXXZDJYQKONDGB-GJZGRUSLSA-N 426.506 0.813 30 10 ICEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690174640 GYKYGHHCKJPDLQ-UHFFFAOYSA-N 448.593 0.350 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690669132 VJXGAKLYZLDZPI-UHFFFAOYSA-N 430.476 0.631 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CCC(CO)CC1 1698520274 GUWVRLBFUZWOJU-QZQOTICOSA-N 437.504 0.999 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(=O)(=O)CC 1705899373 QJCRGUDCUDRSKW-UHFFFAOYSA-N 435.506 0.847 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1706069483 DHNZOGPLAGXXNI-XAJHFOFHSA-N 439.520 0.819 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1722358594 JKJCSXWPJHBWIU-INIZCTEOSA-N 428.580 0.853 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1722730612 XICKWGGYUSJXFH-INIZCTEOSA-N 435.554 0.455 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1740709435 NKFCBBMGTHFLNQ-CQSZACIVSA-N 443.599 0.106 30 10 ICEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740722359 HLJCWBHSONFOLP-UHFFFAOYSA-N 434.566 0.452 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740950950 NQMMXLUEQCNFGG-QGZVFWFLSA-N 445.568 0.949 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740960631 WOFQVNRWRIPQCM-WMLDXEAASA-N 447.517 0.716 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1748717860 KMRKCVWNSQDTED-INIZCTEOSA-N 437.566 0.715 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748732224 WJMUQUFFNVWKPY-GJZGRUSLSA-N 446.599 0.067 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNC(=O)C2CCC2)CC1 1748978594 NYYFBQMCNBJLAH-HSZRJFAPSA-N 444.580 0.992 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1760258227 RMRURIJMTWEHHW-FQEVSTJZSA-N 438.580 0.971 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1772567116 OBWATWCJMTWHSL-CVEARBPZSA-N 440.570 0.588 30 10 ICEE CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CCN1CCOCC1 1851728404 JLOCYDCRDVATBG-IBGZPJMESA-N 425.526 0.971 30 10 ICEE C=C(C)n1c(=O)n(CCCC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c2ccccc21 1852138653 HMWLCTZSMZTICO-UHFFFAOYSA-N 449.577 0.767 30 10 ICEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCN(S(=O)(=O)N4CCCC4)CC3)C2=O)c1 1857396961 WWHXOIZDCDUEDK-SFHVURJKSA-N 431.518 0.258 30 10 ICEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632496 OGMVTEJWQHKVSG-UHFFFAOYSA-N 436.520 0.813 30 10 ICEE C[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284394483 YRYRKXWAXKVEIS-XVKPBYJWSA-N 425.721 0.813 30 10 ICEE C#CCO[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286027159 REDLMXKPFHSNKN-QZTJIDSGSA-N 438.502 0.898 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447261774 ATDQAMMRYIPAKO-UHFFFAOYSA-N 430.436 0.511 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 492321639 SMTKOJPLOYGZCM-AOMKIAJQSA-N 433.553 0.570 30 10 ICEE Cn1ccnc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)c1=O 557825473 ZQBDLDVSRAWBFV-UHFFFAOYSA-N 438.307 0.925 30 10 ICEE CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccsc2)c1=O 589161349 RPMJOUUVPILXCC-UHFFFAOYSA-N 437.568 0.393 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1 604162637 SDEGAEJFBSPFHI-OAQYLSRUSA-N 429.565 0.998 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2C[C@H]2CCCO2)CC1 727415717 YFZHTXRBPZAPSA-QGZVFWFLSA-N 442.541 0.349 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cn1 768415412 AVKNTRKXBFZYJG-AWEZNQCLSA-N 433.542 0.231 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771298271 UVSQTSHTAUFAGY-BTYIYWSLSA-N 447.513 0.420 30 10 ICEE CN1CC[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 773973595 AIVWHFMJEOCERK-IRXDYDNUSA-N 432.502 0.987 30 10 ICEE Cn1ncc2c(N3CCN(C(=O)COC(=O)[C@H](O)c4ccc(C#N)cc4)CC3)ncnc21 780206905 TYASGOZBRWVHTI-GOSISDBHSA-N 435.444 0.160 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCn2cnc(C#N)n2)C1=O 795176638 JSIGLKKPWUJRCZ-MRXNPFEDSA-N 440.533 0.849 30 10 ICEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NCc1ccc(CN2CCOCC2)cc1 798744475 LHLFIPMGZITVGG-HOTGVXAUSA-N 426.477 0.791 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286788084 PKWLUFAVYMXBOQ-AWEZNQCLSA-N 446.537 0.791 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1286818730 ZUCXWJFCMVGBFZ-QWHCGFSZSA-N 437.613 0.431 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286819334 HAYUGIJFAUMIAG-CVEARBPZSA-N 437.566 0.961 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300491385 HLZCKCZSUZFEEY-VQHPVUNQSA-N 435.550 0.407 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCOC2=O)CC1 1300726845 RVJVCWQKXIHGOJ-GOSISDBHSA-N 444.536 0.980 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301474746 HEEYKDOGBUTUDW-QGZVFWFLSA-N 445.568 0.506 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301499169 ZAVPULDHMWQKTF-INIZCTEOSA-N 435.492 0.125 30 10 ICEE Cn1cc(I)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1 1353198158 NXFYQJYQJBADPZ-UHFFFAOYSA-N 427.206 0.708 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)CC1 1359044777 OKIQHPFXZQBLEO-MRXNPFEDSA-N 443.552 0.357 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359303446 OSTPUSYGCWTLRN-UHFFFAOYSA-N 429.569 0.667 30 10 ICEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1463001220 ZEDPOAVOULSPEL-QMIHWGKISA-N 432.477 0.751 30 10 ICEE COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 1463732813 DGSQAXLZRUMZFC-SWLSCSKDSA-N 434.312 0.892 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1507631849 GRUCLFXHRCELRM-NVXWUHKLSA-N 429.502 0.610 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1=O 1517401295 ILNQNGVXKQIDIX-OXJNMPFZSA-N 428.518 0.918 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1539706839 VFWGMXSVUUKMKD-YJBOKZPZSA-N 427.527 0.183 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1539750577 RUOVIXWTPKQLDL-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 1540862018 OOTFPWKIYJMFSC-UHFFFAOYSA-N 428.497 0.892 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1540897930 VWGZWPSOBCOOOD-LSDHHAIUSA-N 449.599 0.350 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1543060247 HSSHIXUJPDAXKU-ROUUACIJSA-N 438.569 0.979 30 10 ICEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1548265315 OMIHHLUDVGDQOX-MRXNPFEDSA-N 434.522 0.961 30 10 ICEE Cc1ccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1S(=O)(=O)NCC#N 1557043304 XRTYVDUQOHJFEI-UHFFFAOYSA-N 425.532 0.980 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588223989 MBDLDWAXGAOHJQ-CVEARBPZSA-N 438.454 0.955 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)C1 1595723064 QOSWLFPNXPVZJA-HZPDHXFCSA-N 425.555 0.876 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1597699092 GOPRZJFJLLNLKG-GUYCJALGSA-N 447.558 0.835 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)n(-c2cccc(F)c2)c1C 1620608190 HCCXGLXGMMJESU-KRWDZBQOSA-N 446.508 0.878 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 1626966658 LCKQTJOCRYPOJG-UHFFFAOYSA-N 429.462 0.371 30 10 ICEE CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1662968593 CXFDXZAHELOYNP-UHFFFAOYSA-N 437.341 0.433 30 10 ICEE CN(C)c1ccc([C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1676653801 XZWZMEDXOPINMF-GOSISDBHSA-N 425.493 0.756 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1677400905 MYFDLZXJFLNBNT-LJQANCHMSA-N 433.578 0.520 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1689978510 XBYQMONDTDNEML-OAHLLOKOSA-N 425.555 0.716 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689987675 AJPFUAHQKBCMIF-HNNXBMFYSA-N 426.564 0.607 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 1690111713 IITUGLUYXRFSLX-UONOGXRCSA-N 432.497 0.068 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)C1 1698311000 HQSJWJCKLKUNRV-CVEARBPZSA-N 435.554 0.641 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1705571102 WQRZHQXRXNPDLE-KRWDZBQOSA-N 426.506 0.182 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705894735 JJYJPPXHGYJITJ-HNNXBMFYSA-N 433.557 0.850 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705928637 SLZIGVAQDHDIGT-ARFHVFGLSA-N 425.555 0.736 30 10 ICEE CN(Cc1ccccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1711098274 ARUBNMPWDWMBGJ-LZICOFPGSA-N 436.476 0.787 30 10 ICEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1712886607 YLWGYOAOPMHXQQ-SJORKVTESA-N 439.476 0.617 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722508869 MSMBNRFWNXQJJG-LHHMISFZSA-N 437.566 0.828 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCCC)CC1 1722566492 SKKVLXGWCAMXJZ-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCOCC1 1723615403 AUTVYJODVPJJGN-LJQANCHMSA-N 444.584 0.705 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1740751670 NJTDIKWSGZHGTE-FZKCQIBNSA-N 440.570 0.571 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)(=O)CC1 1740957653 WGOBTWSISBFYPW-UHFFFAOYSA-N 441.517 0.668 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(C(N)=O)CCOCC2)CC1 1749019554 YWSYFFMGMPOMBQ-UHFFFAOYSA-N 432.525 0.063 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749033982 TWSSBABHFLYZMW-MRXNPFEDSA-N 447.565 0.170 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1749211106 SKYYXYQAAYREDQ-UHFFFAOYSA-N 443.508 0.813 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749668917 GKUBLSLTBSIBEN-GJZGRUSLSA-N 425.555 0.734 30 10 ICEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769712450 KVABBOXOAFLDFO-HNNXBMFYSA-N 427.513 0.830 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1n[nH]c(C)n1 1770042953 DRKCEFUGRGVNIY-YOEHRIQHSA-N 429.529 0.848 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(OC)c3)[C@@H](C)C2=O)CC1=O 1854710957 YNKAQXRZDBQHGV-GJZGRUSLSA-N 435.502 0.478 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cs1 1890266170 IMPILDDICSALLN-UHFFFAOYSA-N 445.589 0.931 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(C)C 537395039 UCZVPLKZFDPMJB-HNNXBMFYSA-N 444.557 0.932 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)c1 537396006 RAOALROBZOGYOG-AWEZNQCLSA-N 440.525 0.440 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 562027088 AFWKFBQCYPFVJR-JCYILVPMSA-N 440.570 0.681 30 10 ICEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)CCN2C1=O 675599991 DOPBDQPOMUTALE-LJQANCHMSA-N 431.452 0.915 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CCN1CCOCC1 758563883 GQFCIIYHNMYLOW-UHFFFAOYSA-N 447.586 0.071 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(=O)(=O)NC 777049490 WDNIGUASIXQSGI-AWEZNQCLSA-N 431.536 0.766 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCOC 790354344 DMLJTMDOEBWRND-UHFFFAOYSA-N 435.509 0.547 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1 839202646 AHCPGJPHUXOPGQ-UHFFFAOYSA-N 427.461 0.037 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NC3(C(N)=O)CN(C(=O)OC(C)(C)C)C3)cc2C1=O 1138224047 IFBSXKDIWQRRMM-UHFFFAOYSA-N 428.445 0.673 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OCC)cc(C(=O)OCC)c2)C1=O 1264344825 NVEJSDVNWPPKOG-UHFFFAOYSA-N 431.401 0.955 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1286712442 ZCFUPDJNOPMIAZ-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1286726554 FXJJRWJZQYZKOO-RDTXWAMCSA-N 425.511 0.734 30 10 ICEE C=CCC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1297801515 YYPDKSGATLOWMN-QGZVFWFLSA-N 441.525 0.882 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CCO1 1299160006 ZAMISHMTSQTCBK-XKQJLSEDSA-N 430.465 0.466 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1299197606 BAAUJFONEQTTHQ-UHFFFAOYSA-N 433.538 0.537 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1300489001 YMLLFCZRNGYXJH-QGZVFWFLSA-N 444.517 0.809 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300490859 CMXLMRQMDSHBPG-INIZCTEOSA-N 439.501 0.814 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1316100978 FEOSAJOZJWCRHS-GOSISDBHSA-N 437.504 0.930 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1316352314 DEDBNKKDALUAAI-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1358955311 JOEZXNSBUXKXHM-IRXDYDNUSA-N 433.534 0.486 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1360713076 FOCLJVAWDGFKLK-DOTOQJQBSA-N 439.586 0.882 30 10 ICEE CN(C[C@H](O)CN1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1445377526 XGAAQPDCCRPIJO-IOANDJKRSA-N 436.553 0.925 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1470544521 LBWRWQNRCXRQNU-HZPDHXFCSA-N 443.570 0.475 30 10 ICEE C#CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCN(C)CC1 1472033725 FWNPQQZJGTUORH-UHFFFAOYSA-N 432.590 0.857 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1508037967 GOYLOVKSPPUBMR-QRWLVFNGSA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508084626 OZLZKYJPBKPSBE-IEBWSBKVSA-N 425.537 0.723 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1539200327 GYOWWPBGAUJWHM-HNNXBMFYSA-N 448.549 0.950 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539775630 OCAZJISQPXROND-DOMZBBRYSA-N 437.975 0.656 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)n1 1543066494 DZCLGBIRSWWOSZ-LJQANCHMSA-N 428.541 0.715 30 10 ICEE CCN(c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1547346391 YTBQHVBGMKWFRU-OHTQGHCMSA-N 436.538 0.941 30 10 ICEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587822927 GIIYAEIOINJCEY-QGZVFWFLSA-N 431.518 0.713 30 10 ICEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1587864992 FFYVWGNTEAAYJX-UHFFFAOYSA-N 433.520 0.926 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588053114 BATZKNHSZKGYHM-SJORKVTESA-N 435.550 0.673 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1588646876 ODYPLIQPWCPYSB-UHFFFAOYSA-N 426.525 0.674 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1588923573 FCWDCNBICAVQSB-UHFFFAOYSA-N 448.531 0.700 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1589215634 CLBUASRQKQYHEE-DNVCBOLYSA-N 448.553 0.263 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)cc2C1=O 1597509640 PAULHZRIPQBXSR-UHFFFAOYSA-N 434.452 0.631 30 10 ICEE CCOCCOCc1cccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1660446696 CVBXDQAEOBJYKT-PZJWPPBQSA-N 435.546 0.726 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1670882153 DXKYCHBIDFXWAV-HNNXBMFYSA-N 446.570 0.650 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1689825957 GBWRQYPLDZDPGM-HUUCEWRRSA-N 428.522 0.975 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1689876827 JIMBDMKXEIIXLD-HIFRSBDPSA-N 437.526 0.961 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689994302 VWOAHNACNKWALG-QGZVFWFLSA-N 449.577 0.844 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1690019999 WKZKFYMQFZBVDB-IBGZPJMESA-N 443.529 0.741 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690725657 XOAKORNRSAJDER-UHFFFAOYSA-N 438.554 0.598 30 10 ICEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCS(C)(=O)=O)c1 1697523261 RYENQHMCBDWZMD-KRWDZBQOSA-N 435.506 0.744 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1705566267 MRRXVRXYCATIBB-QZTJIDSGSA-N 443.529 0.397 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)CC1 1705635421 YMIAIEUOCMYDMF-QFIPXVFZSA-N 433.553 0.617 30 10 ICEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705657820 SEBAGLSJJMIHTM-CQSZACIVSA-N 428.493 0.598 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722367922 NPCJTUKUMVADAW-ZWKOTPCHSA-N 448.593 0.588 30 10 ICEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722369527 AMLIPZCCUUIKEE-MRXNPFEDSA-N 449.508 0.711 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722436353 DPMXJYIGYHYPLX-GRNWLOBZSA-N 439.520 0.801 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(C)(=O)=O)CC1 1740695342 NVTWZIXMDJWULC-UHFFFAOYSA-N 439.545 0.931 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740782594 WQUBKGKQKWLMHR-BFUOFWGJSA-N 436.538 0.571 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 1741982967 CDZKTJWYCUASGJ-MDZRGWNJSA-N 438.554 0.920 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1747543641 CHZGFBPJLPXKMG-QGZVFWFLSA-N 446.533 0.830 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748773293 WEFVCBSEUUZAEQ-CABCVRRESA-N 447.569 0.458 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748802252 OGRQSGVVDJAZGM-CABCVRRESA-N 425.580 0.892 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1748812383 UUXVCGBCPOLJHM-QGZVFWFLSA-N 429.481 0.888 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1748867557 JDPYKPSWDOGREP-JOCHJYFZSA-N 429.521 0.640 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1760471388 UMFNNGCDAUVHKG-KGLIPLIRSA-N 431.584 0.868 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1760495877 YZGGEPHSOFLMRY-APWZRJJASA-N 441.554 0.595 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)C 1771304004 OMXOSIVQBNEIGD-UHOSZYNNSA-N 445.568 0.951 30 10 ICEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255633420 ASJBMPZVRAVAJD-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE N#Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 460287007 XGOLAKPCUNWVGU-UHFFFAOYSA-N 428.470 0.488 30 10 ICEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 471921620 DPEAVCIOFUFPML-HNNXBMFYSA-N 429.296 0.943 30 10 ICEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486491107 IPCLWCQWHRUYKP-MOPGFXCFSA-N 449.515 0.883 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 515746127 SDNSJVIATIHBRQ-UHFFFAOYSA-N 444.351 0.669 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 522536535 CDYIQIUNBQGPKE-UHFFFAOYSA-N 430.489 0.803 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCc1cccnc1 538495548 MNLNCRFRGICBTG-UHFFFAOYSA-N 435.509 0.509 30 10 ICEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c1=O 612597812 ONLLCCSKPNLFNJ-UHFFFAOYSA-N 442.497 0.943 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 767625920 FMPDYMNNZZPKBU-JCGIZDLHSA-N 435.502 0.938 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CCc2nnnn2C)C1=O 771548206 LOSPSFSBKTWBOV-CQSZACIVSA-N 433.494 0.538 30 10 ICEE C#CCNc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1 804523665 YIUIFLCUJSMOGS-SJRVDFGRSA-N 438.536 0.759 30 10 ICEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ncc1C#N 1126066418 SSKNLPGOQWKSNB-UHFFFAOYSA-N 441.469 0.739 30 10 ICEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176709526 IOYXLFYFVVSUEY-WTOJCKNJSA-N 434.474 0.365 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286505219 WJTGPPJPOHZTCZ-KRWDZBQOSA-N 445.593 0.340 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1300464387 CJWTVJQDDQPGKT-HOTGVXAUSA-N 433.538 0.140 30 10 ICEE Cn1ncc(I)c1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1313197713 PZEXZPFAHCMNLQ-TVQRCGJNSA-N 449.274 0.104 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC(=O)N2)cc1 1316533534 UJBGUYVMYXYQJM-OAHLLOKOSA-N 430.490 0.242 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959431 IQORFZFLCGZZGI-SFHVURJKSA-N 443.529 0.431 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358966017 GKPQTIYMHGPFEP-IXDOHACOSA-N 435.550 0.452 30 10 ICEE N#Cc1cn(CCNC(=O)c2cc(I)ccc2N)c(=O)nc1O 1470365853 NMXXDATYJPRNEG-UHFFFAOYSA-N 425.186 0.437 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1494126229 BNBHHUGEKBEPLA-KRWDZBQOSA-N 441.536 0.974 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1508090122 HPQFDSZUNQPPDQ-LSDHHAIUSA-N 428.559 0.538 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1519180696 YLXUBLXZHDZCOM-GOEBONIOSA-N 443.508 0.463 30 10 ICEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1548185427 SVGJGKTYIWDQSK-BBWFWOEESA-N 438.554 0.748 30 10 ICEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1552409590 ONNDELBDVJSTIC-INIZCTEOSA-N 434.522 0.893 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 1561869667 YVQCXRVDWYIURQ-UHFFFAOYSA-N 443.881 0.715 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588053230 BIYHOCAOOXZHHE-CKJXQJPGSA-N 449.577 0.797 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588069164 IMNBEPHDBBTZIS-QGZVFWFLSA-N 447.565 0.293 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 1588199253 KXLYUYJQHHBLFN-MRXNPFEDSA-N 434.518 0.050 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)CC1 1588742992 WJAJIBCGZPABQP-MRXNPFEDSA-N 444.561 0.722 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)C1=O 1611329694 BBXSLBNLSJMOIA-UHFFFAOYSA-N 428.489 0.761 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NC3CCN(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1641258833 OTWMVEMTZRFOIS-UAGQMJEPSA-N 440.566 0.761 30 10 ICEE C#CCNC(=O)CN1CCN(c2nc(SC)ncc2I)CC1 1642750039 OTSMJKKIEVOXIB-UHFFFAOYSA-N 431.303 0.675 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1664134537 BEYQDSBAWBQASD-QGZVFWFLSA-N 441.575 0.392 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1690032657 GUGKHDFFTXUMOT-FOIQADDNSA-N 432.550 0.362 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690671074 OMXXYXRNKKDPJQ-LJQANCHMSA-N 442.568 0.920 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1692778931 AEIUTRBALVTFNN-RDTXWAMCSA-N 443.549 0.441 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705567704 ZQGGTIRTLYFGQM-ZIAGYGMSSA-N 445.492 0.528 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1705909503 ZGTXSESXYXYVOG-GUYCJALGSA-N 433.431 1.000 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1722508296 RNESNWZSNYAOAI-FCEWJHQRSA-N 432.525 0.505 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722532629 RTOQYDRZTDBKPY-AEFFLSMTSA-N 445.568 0.611 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722698085 BSJUPQKYVWMZTH-GOSISDBHSA-N 428.541 0.530 30 10 ICEE CC(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750046866 CGMLXJDBODKCRY-IBGZPJMESA-N 425.541 0.843 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCO2 1751231809 GYCDTVNGBZDNAA-TZMCWYRMSA-N 434.478 0.394 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC)CC1 1760269847 PZZJJNITRAXQCU-KRWDZBQOSA-N 437.566 0.573 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760643104 PDRBGNYHOOOHSS-QBNCKDSPSA-N 427.509 0.862 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CC(=O)N(C)C)CC2)c1C#N 1762399878 GGOAGCVUCARZEE-INIZCTEOSA-N 441.540 0.501 30 10 ICEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769334441 CGPGRFWGGYUQPP-UHFFFAOYSA-N 431.504 0.993 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1771356654 QQFHINWBCKEOTK-WBVHZDCISA-N 428.518 0.824 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 1889433486 GVUSEOBJYWCGFN-UHFFFAOYSA-N 433.574 0.962 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)n1 2255839403 VKOMICHPNONZQV-UHFFFAOYSA-N 439.297 0.803 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccccc3)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O 2296747988 HKKSSKGBBKKMNU-PFDCGNQRSA-N 427.453 0.905 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2[C@H]1[C@@H](O)C(=O)C(C(N)=O)=C(O)[C@@H]1N(C)C 12405101 DRKMHDAKULCOKQ-GHIPVUKMSA-N 442.424 0.558 30 10 ICEE CCCCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 110753842 FEEAFPCTOZFWHP-UHFFFAOYSA-N 427.548 0.996 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 512710745 YYBFVKJSHXMQDS-BBWFWOEESA-N 436.578 0.340 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCO2)C1 619862590 BVNMUBXNUUDRTJ-MPGHIAIKSA-N 442.517 0.622 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)s1 675630852 RIALJHWOAJMMOJ-UHFFFAOYSA-N 431.539 0.940 30 10 ICEE COCCOc1ccc(-n2nc(C)c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)cc1 735054413 DCNGOAPGKRIZPQ-XUTLUUPISA-N 440.460 0.857 30 10 ICEE C#CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H]1CCS(=O)(=O)C1 746151466 IRSHOWXMVLBOEX-YJBOKZPZSA-N 444.513 0.185 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767881421 WFZDNRXWHMEKHZ-UHFFFAOYSA-N 447.586 0.118 30 10 ICEE C[C@@H](C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)n1cnc(C#N)n1 798994820 WPDHZPRUCYFNAS-GJZGRUSLSA-N 431.497 0.781 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCC(=O)NCCC#N 808655286 FQBGRKBJHIUODU-UHFFFAOYSA-N 438.506 0.208 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C[C@H]1CCCO1 917767900 FKEUQPKANDQSEL-QGZVFWFLSA-N 447.520 0.795 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1138972913 WZRZVBADPVOJSD-UHFFFAOYSA-N 439.559 0.495 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)C1 1286801559 ZRAOIPOURPNJDT-CKEIUWERSA-N 431.584 0.538 30 10 ICEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)cc1 1289350390 WGXMUIDCXIYAJK-SJLPKXTDSA-N 430.486 0.624 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1300700274 NSIAEIQUKYTHDL-ZWKOTPCHSA-N 436.582 0.351 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1301897901 ADNIXUVOSGGJDT-OALUTQOASA-N 426.477 0.573 30 10 ICEE COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1315671469 GHCPYAHXBZXLHX-PBHICJAKSA-N 449.537 0.659 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(C)(=O)=O 1316293108 GOEYZMHIAXLTOQ-UAGQMJEPSA-N 438.554 0.223 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966789 WUZRJQAOGRKHRN-MRXNPFEDSA-N 435.550 0.332 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1359018937 GYGOEYLQYFDFHG-FQEVSTJZSA-N 440.566 0.841 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359336682 YOZFRWWFHCCIQO-SOUVJXGZSA-N 434.584 0.988 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)CC1 1449092767 YZKHNVWZFMOZNF-CQSZACIVSA-N 433.306 0.769 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 1475390044 IPBCDOMPNMNKAD-UHFFFAOYSA-N 436.578 0.677 30 10 ICEE COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504568502 TVOJUPPUVZOZIO-KGLIPLIRSA-N 446.533 0.998 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1507537754 JEKNHSUYYXKCOD-GOEBONIOSA-N 431.518 0.551 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CCC)C2)CC1 1507732818 XUHAGZIHAOQPOM-OALUTQOASA-N 434.610 0.667 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NC)CC1 1508079385 SZXDZUBYOFLEFT-UHFFFAOYSA-N 426.477 0.938 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508145616 NIIWHKQVGDRBRI-UHFFFAOYSA-N 435.554 0.664 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1517064388 COHPOFDTWKZUNC-JGWKNBOWSA-N 429.481 0.152 30 10 ICEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1537006992 ZZPCGPNPJRGIRM-SCLBCKFNSA-N 442.515 0.264 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC(=O)N1C 1544723378 LWGBHXXIUJVLPF-CQSZACIVSA-N 431.522 0.423 30 10 ICEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555150181 MKBBZAALDUGNON-OFGXNVERSA-N 429.481 0.371 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1555752509 ACCZEFFPRXWEAH-JYJNAYRXSA-N 439.538 0.698 30 10 ICEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 1584545032 GCUYAHDEHOYARI-HNNXBMFYSA-N 428.518 0.671 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588732879 IPLKDJCVQJUMMS-UHFFFAOYSA-N 448.593 0.627 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOCC2(C)C)CC1 1588733121 OAVOZDGGRAWBJV-UHFFFAOYSA-N 429.569 0.380 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 1588871942 SWWODFNOHWHRPI-UHFFFAOYSA-N 442.495 0.610 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnnn2C)CC1 1588954319 FJXQAPVZZVCNIF-UHFFFAOYSA-N 439.549 0.776 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCS(C)(=O)=O)CC1 1588954641 JZGNBCYRLLVSSX-UHFFFAOYSA-N 430.534 0.274 30 10 ICEE CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1607296707 PVICODZZHSJYAB-ZFDMEJTGSA-N 436.538 0.799 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1611124987 QXWPOFVYHFILFM-ULQDDVLXSA-N 445.582 0.850 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1613897563 CYLOXZJQXRZSPE-QWHCGFSZSA-N 438.558 0.979 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1637389340 GMAAYMJWYWNWSU-OAHLLOKOSA-N 441.506 0.737 30 10 ICEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1687180893 COLXMAZYLXYWKU-SFHVURJKSA-N 437.504 0.203 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1689852697 JIRKZDHZFDSTEA-BBRMVZONSA-N 438.510 0.252 30 10 ICEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690509678 DSVUKCDCVFCTDL-QGZVFWFLSA-N 425.493 0.004 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1690722221 BIWQHRCCPKVURH-UHFFFAOYSA-N 436.538 0.179 30 10 ICEE CCCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1695280061 WMFGGQPYAGGHPB-CRAIPNDOSA-N 444.533 0.870 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](F)COC 1705598526 LALKNYGTLFLJNX-HZPDHXFCSA-N 427.502 0.058 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1705647196 ALYXQBKUCHYOPM-UYAOXDASSA-N 444.580 0.859 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1=O 1711280672 ORKOKKNGHHLVHU-OAQYLSRUSA-N 426.477 0.813 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1722372933 GRLNZOOVNOAAFG-OAHLLOKOSA-N 440.529 0.295 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCSC2)CC1 1722440418 IOIYXLMWVATMJP-HXUWFJFHSA-N 446.602 0.893 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1740626113 SDUNQMYMEYIUAC-CQGGRAHPSA-N 447.586 0.802 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1740992769 NLDURUJQQUKEEC-QGZVFWFLSA-N 441.517 0.846 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740995183 CQRSUTFRRFXTIB-CRAIPNDOSA-N 444.579 0.745 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1749053941 NHJBFLTYVUFKQS-OXJNMPFZSA-N 438.598 0.991 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749964201 REGKSISCUMHCFM-UDJKBAMHSA-N 443.508 0.413 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1760219512 GPMWOYWZBNEJRS-OAHLLOKOSA-N 445.492 0.356 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760520972 GHLJLUNQWJPDGB-FQEVSTJZSA-N 430.534 0.966 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760525987 ZQALIWXIPBGQIY-UHFFFAOYSA-N 435.492 0.153 30 10 ICEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1767496600 WJSVLAYKKHVMKM-INIZCTEOSA-N 432.554 0.399 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1771305256 XTADOXJMRHROHY-OTWHNJEPSA-N 447.584 0.757 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1772566649 QIDYECOKBFCAPG-ROUUACIJSA-N 444.584 0.136 30 10 ICEE C=CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)[C@H]1CCN(C)C1=O 1849736864 WTKCKUKFQMEPCK-OCCSQVGLSA-N 428.415 0.863 30 10 ICEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865716009 OYWIHAAXSSKQNI-OAHLLOKOSA-N 442.472 0.106 30 10 ICEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593866 JLBKVTZSXHTASA-UHFFFAOYSA-N 441.536 0.381 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)n1C 2315523159 LYKZMYHKNPHOTH-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(OC)c1OC 409795189 WBYLJGLRAARUND-CYBMUJFWSA-N 428.449 0.721 30 10 ICEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)N4CCOCC4)n(C)c3=O)cc2s1 491595899 FNOUQLCSGOCUMR-UHFFFAOYSA-N 426.523 0.727 30 10 ICEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O 725768074 HUGPVSMISCXYRR-HTAPYJJXSA-N 425.489 0.854 30 10 ICEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)ccc21 735764898 IGFKADKZXLTCDP-UHFFFAOYSA-N 440.481 0.843 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@@H]1CCCO1 736588176 SNTNPCGDKSVJGQ-AWEZNQCLSA-N 448.570 0.428 30 10 ICEE CSCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 751840213 RHWYGVSMLZCUOS-UHFFFAOYSA-N 427.555 0.948 30 10 ICEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2nnnn2C)cc1 771543187 MBDWBYGAFGYZIE-INIZCTEOSA-N 444.565 0.761 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 782463379 BXSOQRZKJZVSBO-UHFFFAOYSA-N 441.513 0.390 30 10 ICEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782816770 WMYHEUPCRYCPQK-OAHLLOKOSA-N 430.538 0.718 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)n1 788693929 IKBHVPLLCUHTEB-UHFFFAOYSA-N 425.532 0.898 30 10 ICEE C[C@H](C(=O)NS(=O)(=O)c1ccccc1I)n1cnc(C#N)n1 798826433 URUPQPIDAPVQLC-MRVPVSSYSA-N 431.215 0.820 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1 810803158 BVKFGGHDMMIDAM-UHFFFAOYSA-N 428.879 0.976 30 10 ICEE C[C@H]1[C-](C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@H](C)[C@H]3[C@H](O)[C@H]2[C@H]1N(C)C 1088725564 MSOCJZQIXBUXFI-BPAYHUBLSA-N 443.476 0.051 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1286467983 XYOYHPUCBAUIDN-MSOLQXFVSA-N 439.582 0.235 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1286484673 UZWNEPXARRCXEG-OALUTQOASA-N 444.559 0.916 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286819041 XFWSHJINWGSGIR-OAHLLOKOSA-N 442.567 0.293 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286823843 QQQFHPKQPUORAI-UONOGXRCSA-N 430.600 0.865 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1288524569 FIXGEZCKUWQFTD-QAPCUYQASA-N 448.549 0.890 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1300311828 WCXQWGOFEAEMGA-HZPDHXFCSA-N 440.570 0.231 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300487704 LRBDCISCAYCDQM-DLBZAZTESA-N 432.550 0.621 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)C1 1301566455 NTYBIFPWESTJFO-KRWDZBQOSA-N 432.525 0.431 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318798759 DTVSJVSVPNSLOM-ZCXUNETKSA-N 436.465 0.525 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@H]1C 1358941678 SPZDPFNRRMYFQF-YWZLYKJASA-N 433.534 0.805 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)CC1 1359028962 KXJXRQCAAQDZRV-MRXNPFEDSA-N 442.549 0.340 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1 1359332244 SWIIPNLIKNQUNE-IAGOWNOFSA-N 425.555 0.294 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1507743041 WUUVEXBEZVYATC-UHFFFAOYSA-N 444.561 0.696 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1508091719 OKXIDQVGDADAGJ-MRXNPFEDSA-N 438.554 0.316 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1508095641 YYLQANQXJMDRKI-OAHLLOKOSA-N 428.493 0.870 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1508184870 DPOOPBRXQQQNTO-QGZVFWFLSA-N 445.549 0.671 30 10 ICEE CC[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512793870 XATMWRWSYPGWCF-AYGAQVIVSA-N 436.538 0.941 30 10 ICEE CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1517596492 CPNPPOCTYMNFOV-MRXNPFEDSA-N 440.483 0.703 30 10 ICEE CN1CCn2nc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc2S1(=O)=O 1539385737 FCRYEQJQVVPOQE-QGZVFWFLSA-N 432.481 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1540904546 NLBFJAGUXLXMSR-MRXNPFEDSA-N 425.555 0.687 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)cc1 1543120593 BFFMTSMNJBCMME-MRXNPFEDSA-N 430.490 0.333 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1546579227 HUBARWQIEZZHLZ-JXLCAQNNSA-N 436.476 0.581 30 10 ICEE N#Cc1cn(CC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)c(=O)nc1O 1558097450 JEEFEYPEDWUUKN-ZDUSSCGKSA-N 432.234 0.653 30 10 ICEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1587989954 QVYREILLYRXNRH-MRXNPFEDSA-N 448.524 0.515 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588034659 JYXCTXXMJGEGSX-QGZVFWFLSA-N 443.529 0.883 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588049099 ACMCDPOQKIVBBW-KRWDZBQOSA-N 440.533 0.728 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595466702 MBFSXIVEOXJUKU-UHFFFAOYSA-N 431.541 0.511 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1610900767 BFDKOBNXXIEHHF-DBXWQHBBSA-N 434.541 0.768 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 1623207846 QUILERPXKBVAPU-UHFFFAOYSA-N 447.492 0.653 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)C1 1635008345 PKJZMJAHSYAAIO-UHFFFAOYSA-N 432.282 0.780 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1637119776 ODEZKLJERMNFFW-CYBMUJFWSA-N 435.893 0.756 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)CC1 1675018785 SYKQVNWYWYYRRX-UHFFFAOYSA-N 440.478 0.108 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn([C@H](CCC)C(=O)OCC)n2)CC1 1679058304 NVNGUCOKROEMIH-OAHLLOKOSA-N 440.526 0.405 30 10 ICEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)NCC#CCO)CC[C@H]32)CC1 1687394807 ZOKQNLFEYKIHTL-DLBZAZTESA-N 435.525 0.559 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1689853101 PEDHJUSRSKMFGW-RRFJBIMHSA-N 429.568 0.062 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1689986462 QNDIJZZGSXWYTN-HNNXBMFYSA-N 428.522 0.580 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690678269 QFRZQOXUUJLILK-QZTJIDSGSA-N 445.568 0.565 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H]1O 1697063993 YOOMQHARCVJJNO-CZUORRHYSA-N 428.449 0.387 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1698443678 VVBNSMISPUDOPT-ZXFNITATSA-N 442.517 0.478 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705565909 KRAOFIBEGZAVDS-IAGOWNOFSA-N 432.550 0.889 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705894797 LUGQIXDIACVKRO-MRXNPFEDSA-N 440.570 0.335 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1709183091 FVHHKUXENKFHBZ-INIZCTEOSA-N 431.522 0.471 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1722427420 UVQQVYVJTDLIPA-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCN(CC)CC2)CC1 1722429631 PLHFCAPSEYZYEO-UHFFFAOYSA-N 442.612 0.297 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722492452 SOLSEVREOGEOAV-FUHWJXTLSA-N 429.529 0.718 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1740685113 BCVKAUDVWUCKJR-BBWFWOEESA-N 425.555 0.914 30 10 ICEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740806808 FTZDEESDALCPFE-ZDUSSCGKSA-N 446.895 0.862 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741291606 HZBIHZWWBLJNHB-WATITHJCSA-N 445.524 0.517 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1748670930 DZMAMJVMUAYQFV-RHSMWYFYSA-N 427.530 0.972 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ncn(C)n2)CC1 1760266258 UGNQNENAVSFEND-OAHLLOKOSA-N 430.513 0.145 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1760518868 KPBJBSGLQVGXFJ-UHFFFAOYSA-N 426.930 0.886 30 10 ICEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4nccc(C#N)n4)CC3)cn2)cc1 1851808904 OWQIRNXJVOOLHX-UHFFFAOYSA-N 431.456 0.929 30 10 ICEE CCN1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870045211 WREUNSGFSFVYID-QGZVFWFLSA-N 443.533 0.904 30 10 ICEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(CCO)CC1 1870537827 QYZSZTANVVEVAX-UHFFFAOYSA-N 430.505 0.432 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 23265596 JQQIAMOVVGMMAZ-UHFFFAOYSA-N 429.565 0.055 30 10 ICEE C#CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 111046124 BNGQPGGMACOBEJ-GOSISDBHSA-N 435.521 0.799 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1OC 409727252 NAOCJUOSBUMVKK-CYBMUJFWSA-N 448.505 0.697 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 747823543 HCRZGKXUNHWMOY-RWQQGDIJSA-N 440.456 0.705 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 1167434239 SYGIFHAMWGAXDG-SFHVURJKSA-N 435.546 0.919 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 1213522242 OIWDQIYAQWRLDP-UHFFFAOYSA-N 427.426 0.201 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1286467711 UAWPOAAEVKOUMW-IRXDYDNUSA-N 438.550 0.809 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1286553499 FFXRMQZCUORZCD-FCEWJHQRSA-N 432.525 0.505 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286769187 WMGUGNBTNDEHFZ-KGLIPLIRSA-N 436.542 0.472 30 10 ICEE CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1286889054 CIKAULRHJIVGTB-RDJZCZTQSA-N 437.570 0.083 30 10 ICEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300637561 FRCZPMYMZXNNES-HXUWFJFHSA-N 434.518 0.875 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300707674 HOHLKJCSPGTFRB-IIBYNOLFSA-N 444.561 0.565 30 10 ICEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1301009118 BWXRTZFLGDZFMM-MAUKXSAKSA-N 448.549 0.948 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301518059 DCQBEOTVERXKSZ-BXTJHSDWSA-N 435.481 0.735 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1301950734 HRBJLJXTSZZXOJ-UHFFFAOYSA-N 449.519 0.973 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CC1 1303403792 HIUAENFHXIHKRB-AWEZNQCLSA-N 425.497 0.318 30 10 ICEE CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305374154 KKQQQIZRXBQCFQ-ZJYNUGOYSA-N 445.524 0.613 30 10 ICEE N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1307904908 HBDAYDDGDILYGJ-UHFFFAOYSA-N 427.530 0.827 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCNS(C)(=O)=O 1358989690 NAMPJOZJAACZLR-UHFFFAOYSA-N 431.518 0.974 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359126122 GJJWQLVVULOKHI-BXWFABGCSA-N 443.570 0.865 30 10 ICEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1359280964 JXVOGTUUQNOQGG-QFIPXVFZSA-N 440.504 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359333723 HTKKSSZJNSBFBA-ZWKOTPCHSA-N 444.561 0.922 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1507702521 LYBDVUNQCWHKRZ-AWEZNQCLSA-N 435.506 0.751 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)CC1 1507724589 TVTYPLTWZLJWFL-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508059349 SHBSDLBEDFBLPF-CABCVRRESA-N 428.522 0.743 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1539463378 ZOKHLMIVUILJOI-UHFFFAOYSA-N 443.552 0.825 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCCOC)CC1 1540444626 WFYQQLWYEJYTSN-HNNXBMFYSA-N 432.949 0.929 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1540858120 HRQNEJAXVQSQSZ-MRXNPFEDSA-N 426.543 0.150 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)s1 1585786800 HSJYBWQMXBHTNO-MRXNPFEDSA-N 442.607 0.278 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1587809140 ZREYBABVNROPAR-QGZVFWFLSA-N 438.598 0.850 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1620176394 CVAXQVFSVTXAMR-JWTNVVGKSA-N 430.534 0.963 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1630655371 GQTSFZJGCKNEKV-KRWDZBQOSA-N 435.889 0.715 30 10 ICEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 1639821706 KRONJBLSDORSAQ-IDPBPBMLSA-N 447.513 0.545 30 10 ICEE COCCn1cc(CNC(=O)COc2cccc(Br)c2C#N)c(O)nc1=O 1644313942 YUCFLVXGYPQTSB-UHFFFAOYSA-N 437.250 0.925 30 10 ICEE C=CCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)nn1 1648201590 QWYKRQTXDZTQLW-CABCVRRESA-N 425.511 0.713 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689985783 BHFJZPLUGNNEAM-MRXNPFEDSA-N 444.561 0.956 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC)CC1 1690111579 FRFMTOLVIVKFNQ-MRXNPFEDSA-N 447.565 0.486 30 10 ICEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690452095 WTFSVYVILOCFSK-INIZCTEOSA-N 431.541 0.700 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1697045191 LASKIAFRPHGXLY-MRXNPFEDSA-N 432.506 0.755 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560643 MFUWZLRRYJFQHD-JKSUJKDBSA-N 426.539 0.544 30 10 ICEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705757248 FEWDNZXXDRQPFG-INIZCTEOSA-N 444.923 0.971 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705899989 MNDHBACHCSNXIE-MRXNPFEDSA-N 447.565 0.750 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722372259 SKMNJRUVCDNNKD-RCCFBDPRSA-N 449.577 0.842 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722706613 VFLJZZWECQTGQS-KRWDZBQOSA-N 433.557 0.250 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1740863077 NTDUOECXIRNMDQ-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740963151 AVXHJPQPGLUXLD-QWHCGFSZSA-N 446.489 0.686 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1749549555 VZNPBICJICJOQP-YJBOKZPZSA-N 448.549 0.996 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760272244 DJEZCWOJCBQSHJ-KRWDZBQOSA-N 447.609 0.526 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1761463267 HUGGREJEQUZKLU-KBPBESRZSA-N 445.549 0.961 30 10 ICEE C=CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)[C@@H]1CCN(C)C1=O 1849736865 WTKCKUKFQMEPCK-TZMCWYRMSA-N 428.415 0.863 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)n1 1852835382 CWASQQQVTQELDT-GOSISDBHSA-N 444.492 0.989 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)C4CC=CC4)C(=O)C3)C2)cc1 1855848084 XNKPOGZUFKJJEU-GOSISDBHSA-N 428.514 0.958 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286048573 JXGMKBBTKNKUTF-SJORKVTESA-N 436.490 0.368 30 10 ICEE C[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1[C@@H](C(=O)C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-] 198716112 KEHVWXQDJICDJV-FZGAWSPRSA-N 432.345 0.935 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)C1=O 427564482 PVDZSSPAHQVDGJ-ZDUSSCGKSA-N 427.379 0.949 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 508864019 KSFLUDVLCKWQEA-IBGZPJMESA-N 426.521 0.990 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@H]1CCCO1 514305587 AFYNAWFGFNOLNH-MRXNPFEDSA-N 431.514 0.646 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 514864310 VBZWETSXMUUMME-UHFFFAOYSA-N 428.514 0.985 30 10 ICEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 609822983 CGSSEBRINLJLLQ-UHFFFAOYSA-N 432.484 0.941 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669806051 UKRBIBKHCFINOH-HLLBOEOZSA-N 439.586 0.063 30 10 ICEE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCN/C(O)=C1/N=CC=CC1=O 731887228 JDRFDRAJUJHVJH-VXPUYCOJSA-N 426.454 0.991 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CCN1C1CC1 732706449 KCESUCANWVSJEK-IBGZPJMESA-N 441.557 0.942 30 10 ICEE COc1cccc(OCCN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 766982437 CZIAEGFHWJOIGR-QZQOTICOSA-N 443.504 0.928 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2cnccc2C#N)CC1 813412929 FQDAYQRJWUTIKP-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 914680288 XBDXLZLGIJDNRM-HNNXBMFYSA-N 449.471 0.894 30 10 ICEE C=C[C@H](C)ONC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1252548537 IOIBJUDMCKWDLQ-HNNXBMFYSA-N 425.511 0.440 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCNS(C)(=O)=O 1286521683 COLRRWMOIDKEJY-LJQANCHMSA-N 434.522 0.937 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286789913 LJSNVLXFZGMUMM-UHFFFAOYSA-N 445.568 0.486 30 10 ICEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301911861 NFOVNVWDIWNXAC-VXPUYCOJSA-N 431.541 0.771 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1313551523 CUNHHEGIAZNNTH-QGZVFWFLSA-N 436.520 0.906 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1358963748 NPVZCDBRRBTRIN-DLBZAZTESA-N 433.538 0.481 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1359018938 GYGOEYLQYFDFHG-HXUWFJFHSA-N 440.566 0.841 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(C)(=O)=O)C1 1359323535 QYENCFGGGQPFBX-OAHLLOKOSA-N 426.568 0.964 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359390187 ANVBPMIZJULLTD-OSCRUYLVSA-N 443.508 0.367 30 10 ICEE C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1360535329 BZOOOIVWGCQBOA-WBVHZDCISA-N 447.565 0.874 30 10 ICEE C=CCOC[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OC 1463598807 MRHUGWSQDSWGBD-LLVKDONJSA-N 433.284 0.823 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CC(NS(C)(=O)=O)C3)C2)C1 1467376798 SZHUOEPVOODNHT-AGFUZZQKSA-N 426.539 0.970 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1471450849 KEDMDBAPPFCDJW-UHFFFAOYSA-N 441.307 0.311 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1507751484 OQJWQENIRWGAFW-OAHLLOKOSA-N 440.595 0.398 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508132078 UPLSNZWYQJCAJR-OAHLLOKOSA-N 438.554 0.077 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539626526 FAOQYRNXVPKMFX-APWZRJJASA-N 429.525 0.955 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539751794 UXFOGFXAQJHUOA-ARFHVFGLSA-N 442.538 0.133 30 10 ICEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1540198649 OQSDANIQWZWHLM-UHFFFAOYSA-N 446.508 0.894 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1540871635 QBIBRZWTALOCAP-CABCVRRESA-N 426.543 0.150 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1540884278 MSNPHDOSIZNWSU-HTAPYJJXSA-N 449.552 0.994 30 10 ICEE C[C@@H](CC(=O)NCCS(=O)(=O)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1583882604 FYQCTYGGOUZMCY-JTQLQIEISA-N 441.453 0.597 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1588049225 CJRJBXISFWFDCY-CQSZACIVSA-N 425.536 0.335 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1588848678 KRZMOCASZBOYGE-UHFFFAOYSA-N 445.593 0.691 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1595788439 AOSVPYBMPGHWCO-UHFFFAOYSA-N 445.549 0.577 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCO1 1596640642 AWXNRNSPFFYLOZ-AVRDEDQJSA-N 437.504 0.636 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1611686105 AGFXCXLSIXTLSB-RDTXWAMCSA-N 443.549 0.441 30 10 ICEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)OC 1613640515 ASRVVSAVMZRQMY-KEYYUXOJSA-N 430.506 0.478 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(Cc2ncon2)C1 1623853242 QGJOEMGYHOMSJM-HNNXBMFYSA-N 446.533 0.917 30 10 ICEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1629637403 QQRXCHQPHUBKSZ-LBPRGKRZSA-N 431.308 0.848 30 10 ICEE COC1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CS(=O)(=O)C1 1633104553 NQRLACUDIJTZFQ-OAHLLOKOSA-N 442.335 0.972 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2Br)CC1 1643372682 WXPNLNDCHPUVQQ-UHFFFAOYSA-N 430.324 0.830 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1648152450 DAHIRCPOVDYLQD-ZFWWWQNUSA-N 442.563 0.277 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1689936804 FALNALHCNFRNHG-UHFFFAOYSA-N 441.580 0.948 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1692538518 KCYPOCVDIKDXHV-JKSUJKDBSA-N 428.541 0.508 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1697921675 ABXPGDMIBLQRGE-JXFKEZNVSA-N 449.533 0.865 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1705477518 PALBCAUGYNERAG-LSDHHAIUSA-N 428.522 0.975 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(OC)CCOC2)CC1 1705647718 IUBXPQGFLGHFTK-XMSQKQJNSA-N 431.537 0.943 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705903363 UATSLFGJHDKKLK-UHFFFAOYSA-N 429.569 0.982 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CCO1 1706048579 DCMNNNHAXIQTNE-HXUWFJFHSA-N 441.536 0.736 30 10 ICEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)COCCO1 1706960355 XRMNZRXODRLVBK-HXUWFJFHSA-N 446.533 0.704 30 10 ICEE CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1711515495 ATGZWFNZWJHBBB-IIDMSEBBSA-N 426.543 0.776 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712701324 ITBDNHWJHYYBME-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722359989 BWCDNKRVKIAYIL-ROUUACIJSA-N 448.549 0.501 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1722699126 BXGVJDQPFKOXLW-UHFFFAOYSA-N 426.521 0.775 30 10 ICEE O=C1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1731222180 RNPIBKURUGRIHJ-VXPUYCOJSA-N 436.476 0.117 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@@H](C)CC 1740640588 QNLVDVLZDPVZGZ-ZWOKBUDYSA-N 437.566 0.481 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCN(C)C2)CC1 1740706060 PGOPXDJAMJRVON-PGRDOPGGSA-N 430.553 0.552 30 10 ICEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740813298 BWEVUDZLFAFHRT-LBPRGKRZSA-N 449.924 0.169 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1OC 1749053189 CNYFYRJMNWOIAA-CYJAXWMASA-N 425.555 0.932 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749680977 UZKJFJCBFGBDHV-OAHLLOKOSA-N 426.543 0.121 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCS(=O)(=O)CC1 1760111660 QSBQLGNYECRREZ-ZDUSSCGKSA-N 435.506 0.403 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760522442 TVIQVIWZPGQCCJ-CQSZACIVSA-N 444.458 0.979 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)CN(C)C1=O 1766408764 KTLRWMTWEZOKDE-QVKFZJNVSA-N 439.524 0.670 30 10 ICEE C=CCNC(=O)[C@H](CCSC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861500783 LTYAKGWGMAOTGQ-AWEZNQCLSA-N 439.534 0.982 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCNC(C)=O 1870546774 SPCJRWJXSGPXPZ-FQEVSTJZSA-N 446.548 0.832 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 2282331325 MFONYINVMDCXLL-CYBMUJFWSA-N 427.332 0.493 30 10 ICEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706508 ORPFTPIPKJYPSB-KRWDZBQOSA-N 431.518 0.607 30 10 ICEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774176175 ASEBTYJAOMTKSI-HOCLYGCPSA-N 427.548 0.830 30 10 ICEE Cn1ncc2c(N3CCN(C(=O)COC(=O)[C@@H](O)c4ccc(C#N)cc4)CC3)ncnc21 780206910 TYASGOZBRWVHTI-SFHVURJKSA-N 435.444 0.160 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 805319390 VCOJWNHYXVGFIJ-KRWDZBQOSA-N 447.538 0.791 30 10 ICEE C#CCOCCN(C)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1181744779 AULYWHJTPHSAAT-UHFFFAOYSA-N 435.502 0.877 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286394703 PDDWVXMANSSILK-BZUAXINKSA-N 440.591 0.853 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286774879 NDJBVBPQRIEOLU-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286788926 KBLZXLHJAKKAAI-UHFFFAOYSA-N 432.550 0.970 30 10 ICEE CCC1(Cn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)COC1 1290636041 HBYNAXURNLYQCF-UHFFFAOYSA-N 444.517 0.723 30 10 ICEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1293136534 GOOLBALFBNXPCL-AWEZNQCLSA-N 432.282 0.549 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1300506235 QAEINQLXCDTBMY-QZTJIDSGSA-N 445.545 0.986 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301497685 AOOSNHIKANCKMD-UHFFFAOYSA-N 429.569 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301578544 DFTCUCUKGMPKCM-INIZCTEOSA-N 433.538 0.688 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCC(=O)N(C)C2CCCCC2)CC1 1302924371 LDIVGTFNUVNECD-UHFFFAOYSA-N 430.596 0.123 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1359103936 VRJMDLSDKUGNSV-UWJYYQICSA-N 446.552 0.677 30 10 ICEE Cn1[nH]c([C@@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc1=N 1460005523 VVCSUHQSGMTCGR-ROUUACIJSA-N 426.500 0.913 30 10 ICEE C#CCN(C(=O)NCc1nn(C)cc1I)[C@@H]1CCS(=O)(=O)C1 1470147092 KTEUEEVVOPXGAP-SNVBAGLBSA-N 436.275 0.357 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 1471450720 HWXKKJPMMRAOFM-UHFFFAOYSA-N 427.324 0.488 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(Cn2cccn2)C(=O)OC)s1 1472282999 FOIZJHIOKMEWKB-KRWDZBQOSA-N 426.520 0.700 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1504711744 HKKBKFHWBLEOOC-SFHVURJKSA-N 446.533 0.704 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1507844293 HJMITXBOOHNRQH-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1508086640 NWUCLLMFTKEBLE-UHFFFAOYSA-N 436.513 0.793 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508144815 HQKIJJXSMMQODU-HNNXBMFYSA-N 430.538 0.818 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 1539430630 KHHQYTNSZGRGCZ-MRXNPFEDSA-N 434.570 0.308 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1540550495 RXATVTCKZPNQBG-ZWKOTPCHSA-N 429.427 0.860 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540862205 VDHIRYLOLSTLFY-AWEZNQCLSA-N 443.474 0.889 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCC(N)=O)CC1 1540866908 DYHFHULWAXFJFX-UHFFFAOYSA-N 442.476 0.447 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540900799 ISBFWGMUPZCDJI-OAHLLOKOSA-N 441.579 0.898 30 10 ICEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1555792304 BJWVRYYVLNKIAM-DOTOQJQBSA-N 447.517 0.993 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OCCOC)CCOCC2)CC1 1588732946 IYALNCZJGRYIDS-UHFFFAOYSA-N 448.568 0.384 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCOCC2)CC1 1594192233 FZUFTKCFEVJRJD-AWEZNQCLSA-N 440.570 0.573 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC(=O)N1C 1612918323 YUAAOYGEEOUAQK-CJNGLKHVSA-N 436.476 0.472 30 10 ICEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCCOc1ccc(C#N)cc1OC 1617858844 KIIZRZMJUNRGSF-MRXNPFEDSA-N 433.461 0.633 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 1639973674 IHWIYFQRZVOVQI-TYPHKJRUSA-N 433.468 0.769 30 10 ICEE C#CCC1(O)CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1655431556 RDELBNFGKZEREV-UHFFFAOYSA-N 439.516 0.783 30 10 ICEE C=CCc1cc(CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc(OC)c1OC 1676275342 SPAYXVHHOOTMLC-MRXNPFEDSA-N 427.523 0.892 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689977946 HSNOJFJXXMLSOT-DLBZAZTESA-N 438.598 0.773 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690245510 JJYYBGUCAZVZOI-NARAOEGZSA-N 437.566 0.863 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690309570 DKHUIFDNVZMVJR-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690655108 HHFZKCAEBGHVNG-NRFANRHFSA-N 442.524 0.302 30 10 ICEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1695962660 CRGJAJRMUSTUEV-UHFFFAOYSA-N 447.521 0.644 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705516801 JBGIWWKBSJPIEQ-IAGOWNOFSA-N 438.575 0.610 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CCO1 1712884038 FJHIZOPTHNYUKN-NVXWUHKLSA-N 444.517 0.938 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722457897 ROHUBKBDCXRAEK-QGZVFWFLSA-N 429.550 0.873 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1722685826 OQALCTHGDRSEJZ-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722726360 CULFWTJSOWLDMY-SOUVJXGZSA-N 436.538 0.077 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740621190 ULXHBFBOFKPLFJ-SFHVURJKSA-N 438.513 0.746 30 10 ICEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740885882 QBUKZPNZTANGQW-UHFFFAOYSA-N 432.525 0.256 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740888437 SARNNYKYTDCYGG-HOTGVXAUSA-N 438.554 0.329 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749211504 ZHDHYFWKRSMAIP-KGLIPLIRSA-N 435.572 0.104 30 10 ICEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)F)cc1 1750383071 OKKCIWHBVPZFRI-HXUWFJFHSA-N 429.431 0.914 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1761290512 ARWYEVTVPDDUSK-DYVFJYSZSA-N 446.430 0.726 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)nc1 1852785281 BPJSBTGBYFZYSF-UHFFFAOYSA-N 445.483 0.937 30 10 ICEE CC(=O)N[C@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccccc3)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O 2297476035 HKKSSKGBBKKMNU-GNJRFXKQSA-N 427.453 0.905 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 30327837 IAAZXBRYTYNYPD-UHFFFAOYSA-N 426.926 0.833 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(Cc4nccn4C)C3=O)CC2)c1C#N 472041702 AGUWBCBKQWNNPF-KRWDZBQOSA-N 439.524 0.357 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 479927922 SNYQCIYXEXSAPP-UHFFFAOYSA-N 427.549 0.562 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 509010425 GDMBWQXYWDLSTM-CVEARBPZSA-N 440.570 0.682 30 10 ICEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1F 555528927 XVPSXHJRUVPTTA-UHFFFAOYSA-N 434.424 0.887 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 798995920 HNVUAOXCJJXXLR-CQSZACIVSA-N 431.497 0.918 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1156670904 ZOFPKCMWSFXZLF-KXBFYZLASA-N 426.539 0.326 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1286523458 WHHVPYCXGVGDQF-YLJYHZDGSA-N 447.565 0.808 30 10 ICEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1288552532 UFAQVVOSDDKQBE-FHLIZLRMSA-N 428.493 0.969 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300494954 AEWIIJRCTPNSPO-JKSUJKDBSA-N 447.565 0.804 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1300652854 DAEZWCHVAFKOSK-SNVBAGLBSA-N 444.302 0.962 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1301425740 YCDKMLKJMWFKEW-BBWFWOEESA-N 428.555 0.871 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)s1 1302637504 WQNQPYXYVDRKGV-KRWDZBQOSA-N 427.504 0.675 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358964761 GWTHYOWTRNSCKH-NQIIRXRSSA-N 445.545 0.696 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)CC 1358992725 UREJECVIQWRPCB-UHFFFAOYSA-N 432.506 0.408 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NCC)c2)CC1 1359038483 XZQQSCCYSSXXRK-UHFFFAOYSA-N 449.559 0.954 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359304481 ZAKVVZYYCRYKEG-CYBMUJFWSA-N 445.505 0.213 30 10 ICEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1359401887 HIGRYRKFQRTYFA-GOSISDBHSA-N 429.550 0.823 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)CC(F)(F)F 1469897004 TZHXFXJTYCRIFN-UHFFFAOYSA-N 441.453 0.599 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C(=O)OC 1470031936 BIUKEFUPPFWOGJ-ZACQAIPSSA-N 428.445 0.263 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1471251172 DYYZSEQNNPEMNX-FUHWJXTLSA-N 437.518 0.849 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504604408 DZPLALZFXKUNOA-HZPDHXFCSA-N 428.472 0.807 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507634236 XYUKOKYZPJJUQI-DLBZAZTESA-N 436.582 0.586 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1507690812 XNWBZJNIBMQXGS-GOSISDBHSA-N 447.565 0.580 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539201141 XEIYHMZKGFMMHX-IAGOWNOFSA-N 449.577 0.956 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCOC2=O)CC1 1539431838 XGFOABPXEMPDJX-NRFANRHFSA-N 432.525 0.528 30 10 ICEE C#CC[C@]1(C(=O)N2CCN(CC(=O)NCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1540444239 IFBZOCWFHJWYGN-JOCHJYFZSA-N 436.553 0.686 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540908921 RMBNDEQGRTVZEA-IBGZPJMESA-N 438.554 0.901 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1584458940 DRFLQDPQEIPWDZ-CYBMUJFWSA-N 438.506 0.477 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055572 XSPLDQDWVJYFMX-DLBZAZTESA-N 449.577 0.845 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(C)(=O)=O 1589186274 WJQQSIMTRGSVMQ-LJQANCHMSA-N 426.506 0.958 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1595501085 LUALZKMWUGQHNQ-UHFFFAOYSA-N 437.504 0.850 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1595551957 YQLFGQKMKSZFCY-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1-c1ccccc1 1616126163 FYZHDUZPKMHSBN-FPAYPSAMSA-N 438.469 0.898 30 10 ICEE C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@H]12 1616174544 AGQFZMHIHGIFNF-KHMAMNHCSA-N 429.420 0.508 30 10 ICEE CCOCc1nnc(N2CCCN(C(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1616884165 LVOALBJORIMNNM-HNENSFHCSA-N 431.497 0.400 30 10 ICEE COCCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1619812679 BXIIRCRWIHGPLH-CVEARBPZSA-N 442.542 0.156 30 10 ICEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1622396012 PQBRRQLBZICIMR-UHFFFAOYSA-N 428.898 0.463 30 10 ICEE CS(=O)(=O)NCC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1627287446 NXRWDHCRCSVPRE-QGZVFWFLSA-N 447.517 0.551 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2)CC1 1632960671 LVVRNWVTOIDCBQ-QGZVFWFLSA-N 438.575 0.150 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 1644282114 VAKAUFGLDKMVOO-CYBMUJFWSA-N 430.324 0.828 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1653760679 ZSOVKFSMMKYWSK-UHFFFAOYSA-N 432.481 0.147 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1690497506 RPTASQLBSICQDE-MAUKXSAKSA-N 429.543 0.477 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1690643580 IQHVGUXFUSJOBN-MRXNPFEDSA-N 430.534 0.792 30 10 ICEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1695905231 FROBPMCQAJDPLC-CYBMUJFWSA-N 425.559 0.791 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1705898202 DOXUKOXVOWEXGC-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705905218 NZAOWYIKVHOISD-MRXNPFEDSA-N 438.492 0.039 30 10 ICEE C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1712834960 KIJKDPPIEWNQFE-LFKKDODXSA-N 437.504 0.997 30 10 ICEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722686426 XXKDLEGOCLNRNN-DLBZAZTESA-N 425.555 0.989 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1728263480 CMCRMWYANRVDAK-KRWDZBQOSA-N 446.533 0.830 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1741133404 QKRRITRBYDZMNL-OLZOCXBDSA-N 436.485 0.836 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1744755838 FXXQMBCARGBNGI-KRWDZBQOSA-N 443.533 0.567 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCOC2)CC1 1749015289 BQGLNGVFIVUVCF-KRWDZBQOSA-N 428.537 0.793 30 10 ICEE CCOCc1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1766221371 IGMWPMLCCIXUJP-ISLYRVAYSA-N 433.513 0.692 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1767897126 CGXOTNMYUQGEEQ-QGZVFWFLSA-N 444.517 0.852 30 10 ICEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1768519047 XUSKWZXHDSBJAY-LJQANCHMSA-N 438.536 0.951 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1769383103 WMNLLCUYVVPZQW-IBGZPJMESA-N 440.570 0.998 30 10 ICEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nncs3)n2N)cc1 20913465 WYGBTYAWSCVACB-UBKPWBPPSA-N 433.479 0.807 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 27165620 URPWCNZHZQVNLV-UHFFFAOYSA-N 434.562 0.534 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447283080 OMHCFTJKPDPIMO-UHFFFAOYSA-N 430.436 0.660 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 505903705 UVMXUXJCECRASI-UHFFFAOYSA-N 425.474 0.457 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1 555241203 IGQQUKLIWCWFJK-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](C)C1 568487276 ORJSEUAOZMPSLC-SJORKVTESA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCOCC 577144213 LOHXUPWSRHAIIE-UHFFFAOYSA-N 449.536 0.937 30 10 ICEE CSc1nc(O)c(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C#N 610012033 VYFQNSAUUMIKLG-UHFFFAOYSA-N 441.517 0.970 30 10 ICEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OCCN(C)C)c1 739084771 DZTIDPIGRBXYGE-VHEBQXMUSA-N 429.477 0.517 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cn1 743727475 CAZJUKGRWODWKF-MRXNPFEDSA-N 430.530 0.660 30 10 ICEE N#CC1(c2ccc(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 777172031 GWOKDRVVNXDYDG-SFHVURJKSA-N 431.514 0.730 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CCN1C1CC1 778612348 WRZXVTHRQLOMPH-MRXNPFEDSA-N 429.452 0.435 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CN1CCC[C@@H]1CO 781936818 HBRQDODMKIMAFI-HMDOMZECSA-N 427.505 0.969 30 10 ICEE C=CCCOCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 920454524 VFYUIEVNHIFQDR-UHFFFAOYSA-N 430.548 0.824 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1300889086 AZILKLMLAJXTPE-MDZRGWNJSA-N 432.525 0.333 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1301297627 RJGYPSYJGBYRAR-YJBOKZPZSA-N 444.627 0.671 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nnc3c(=O)n(C)ccn23)cc1 1310130857 HMHJJXKCEKPKHH-UHFFFAOYSA-N 431.478 0.556 30 10 ICEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316024675 AYIAVAQUWVIYEO-FQEVSTJZSA-N 449.533 0.751 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1358968114 ZQAFZRNNFLBDDZ-DLBZAZTESA-N 433.538 0.518 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1360796743 CMCGXBGSFJQSCQ-JOCHJYFZSA-N 437.504 0.957 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1472192400 ZOFPKCMWSFXZLF-HNAYVOBHSA-N 426.539 0.326 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507623376 ROBLEOOWFYECDT-OAHLLOKOSA-N 431.584 0.356 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1508084354 MZQUAWUNDBLNNM-UHFFFAOYSA-N 433.538 0.231 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)O)CC2)c1C#N 1511662902 BIYBCZZBNYYAIA-UHFFFAOYSA-N 429.529 0.427 30 10 ICEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1539145642 OQQLZAIPLQWWKB-UHFFFAOYSA-N 439.501 0.973 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC)CC1 1539484162 FDZGDCPURVPGCF-UHFFFAOYSA-N 448.531 0.619 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1547715197 GPIUKPKKEDDDCJ-YUMLTWSLSA-N 429.525 0.839 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1552378536 COMDWAGLWBIKMD-INIZCTEOSA-N 432.506 0.755 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1nc(C#N)cs1 1598156250 VPYAOGHXGNCGCP-AWEZNQCLSA-N 436.515 0.873 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CCO1 1620355156 HBDOIOOUHVNRHD-IRXDYDNUSA-N 438.554 0.021 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1632624216 PPJSNICXYSTQAQ-QGZVFWFLSA-N 448.317 0.814 30 10 ICEE C[C@H](CC(=O)N1CCC(O)(c2ncnn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1643916869 GCKKPGQCUMWQOT-CYBMUJFWSA-N 432.506 0.142 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1644447949 YATYMLGYROANCL-VATLKHLZSA-N 438.484 0.933 30 10 ICEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1nnc2c(=O)[nH]ccn12 1654676308 FEWIUPHQTLZGQF-QGZVFWFLSA-N 438.467 0.398 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 1680637582 GJYXJZVNJCNJJA-CQSZACIVSA-N 443.932 0.853 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690715338 JCOFBRDVCFJTMB-LPHOPBHVSA-N 438.598 0.566 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566466 OKYQDEXYXKURHY-KURKYZTESA-N 448.593 0.588 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708759324 BMTOJHHISZRCDG-UFOSLELVSA-N 445.524 0.948 30 10 ICEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710615639 JXHCVPCNIRTZQZ-MYDZZUQKSA-N 443.508 0.761 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)CC1 1722430812 AUEGPNKLYXCEDX-UTKZUKDTSA-N 446.577 0.551 30 10 ICEE CCOC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729107937 SNFCUGDHPDAQRK-UHHPSXQGSA-N 445.524 0.806 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729220162 LMSZNMOGPVZJAN-NVXWUHKLSA-N 437.570 0.288 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(OC)C1 1740959036 JMFSJEQBLHJZFV-UHFFFAOYSA-N 433.538 0.766 30 10 ICEE CCN(CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1746176845 ODYQGJKZBQGZGT-VQIMIIECSA-N 442.561 0.981 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cncn2)CC1 1749015903 RKHJUOUZLVGSCI-UHFFFAOYSA-N 436.524 0.397 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCOCCCO)cc1 1750384449 AMCKFXVHJOOHOS-QGZVFWFLSA-N 441.492 0.342 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1750917651 VXPAZXADAZFJNG-KIJUOZEOSA-N 445.524 0.948 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760186131 APZCYEXSLPLRAK-LSDHHAIUSA-N 448.574 0.923 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770729064 XDOJBUHEILRUIE-YOEHRIQHSA-N 427.502 0.554 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cn2c(=O)sc3ccccc32)C1=O 1854282753 OPIFXELSQQXRET-HOTGVXAUSA-N 428.514 0.909 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cs1 1889555602 FDKPGASXXBYRMZ-UHFFFAOYSA-N 443.533 0.648 30 10 ICEE CC(=O)Nc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254501357 RIICPSIADYUGSK-UHFFFAOYSA-N 426.481 0.949 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]3CCCO3)c2=O)o1 471190720 JUVTXQDDINPGPH-QGZVFWFLSA-N 445.541 0.900 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)cc1 473321947 CWZCRNJRGLBMEM-OAHLLOKOSA-N 437.522 0.352 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@H]1CCCO1 507075187 BEKKXXYDNVKZKP-QGZVFWFLSA-N 445.516 0.802 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCSC 538497686 JMJNCJSPXFTOPO-UHFFFAOYSA-N 448.570 0.251 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CC1 553803643 CXQPQSWHRUOAIC-CYBMUJFWSA-N 428.514 0.611 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 734602053 VGPUHDJKGBXXKP-UHFFFAOYSA-N 428.470 0.784 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)C1 741430608 ILYRQPSAFAQWQE-UHFFFAOYSA-N 436.490 0.584 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@H]1CCOC1 749856909 ZDHZZVZEGNOZHF-OAHLLOKOSA-N 429.546 0.582 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)COc2cccc(C#N)c2)CC3)CC1 754770844 WGTSOVXLDQTYCC-SFHVURJKSA-N 436.516 0.900 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 755111397 VEKFMLIVMOXBSD-CABCVRRESA-N 429.539 0.704 30 10 ICEE C[C@@H](C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)n1cnc(C#N)n1 1131436174 SOSSAKXUSOGTFW-HNNXBMFYSA-N 446.512 0.528 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CCC#N)CC1 1152068703 NKFIOKASUFLKHB-SFHVURJKSA-N 436.534 0.774 30 10 ICEE C#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1171025611 GAISZNHDRFGQIL-HXUWFJFHSA-N 431.558 0.732 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)c1C#N 1233658070 MTWUNTBBDPIBPA-UHFFFAOYSA-N 435.485 0.419 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286393970 SJMWFVMCAXDXEI-SFHVURJKSA-N 444.561 0.663 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1286715165 WHWQOAJTYIEZMK-OAHLLOKOSA-N 435.554 0.790 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1291193998 MWEXDDZIRFPHJS-NYHFZMIOSA-N 437.504 0.874 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1291194000 MWEXDDZIRFPHJS-QRQCRPRQSA-N 437.504 0.874 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1300499446 RYJMMZJCIVXDKZ-GOSISDBHSA-N 430.534 0.417 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1300648335 FWVICPAZPOHCMQ-UHFFFAOYSA-N 439.520 0.876 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300831446 ZCUANCSYTWYVTI-ABAIWWIYSA-N 447.359 0.513 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N(C[C@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)C1 1313292438 RRPUCVXWBRJFIO-UXHICEINSA-N 430.549 0.972 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)CC1 1359036227 QQSAALQYBUGSEL-SFHVURJKSA-N 443.577 0.445 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359227737 KQHARNDHPOANPC-HNNXBMFYSA-N 448.549 0.429 30 10 ICEE C=CCOC[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OC 1448493408 HXNPLNCTYMVECY-SSDOTTSWSA-N 426.065 0.664 30 10 ICEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1503808500 HTBYJACJZVCKDX-UHFFFAOYSA-N 436.476 0.473 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1507617267 ROGHBQDMKZBNQP-HNNXBMFYSA-N 437.547 0.228 30 10 ICEE C#CCN(c1nnc(C)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507625383 IMQXALDAOZUCJA-MSOLQXFVSA-N 436.582 0.156 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507632264 KHKIOTAEHCPKPL-HZPDHXFCSA-N 440.591 0.997 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1507953199 DSOSFGVBDNIDTN-GJZGRUSLSA-N 428.559 0.396 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1508092896 RVXKCCMQTWPQLY-GOSISDBHSA-N 439.524 0.544 30 10 ICEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1511497922 FUNWESMKCCIPTA-YPMHNXCESA-N 425.540 0.739 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1516838538 PDZLQXKXZVROCZ-KBPBESRZSA-N 432.572 0.248 30 10 ICEE CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOC1 1517924883 JWDVRJFZAJAGTR-OAQYLSRUSA-N 441.492 0.757 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1540198940 UFEHMVHOYOHTLH-CABCVRRESA-N 426.543 0.292 30 10 ICEE COc1c(F)cc(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1561764559 BQTBKGVOMGCJDF-UHFFFAOYSA-N 447.242 0.709 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1588800199 APJWRGRBAJIOCR-VZCXRCSSSA-N 432.488 0.622 30 10 ICEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1596392133 DOZQUGDTZGYGJG-HNNXBMFYSA-N 428.532 0.270 30 10 ICEE C#CCN1CCC[C@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1651805325 GUGCMZRFQOIDIJ-SFHVURJKSA-N 434.562 0.661 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2C(N)=O)CC1 1652097757 WXAIWBOSSPPERZ-UHFFFAOYSA-N 446.460 0.708 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1689997301 ZQYMZZHOVKTHPS-AWEZNQCLSA-N 445.492 0.657 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2)CC1 1690137603 DNFQOHHBSLZKQQ-QFIPXVFZSA-N 441.536 0.678 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CC)c2)CC1 1690150658 PKSLVWYKOBEJRY-UHFFFAOYSA-N 438.536 0.631 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690655501 YDVGOZHCFOWWDY-INIZCTEOSA-N 428.497 0.128 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)c1 1705504177 OWRFUTLGTJCCMN-UHFFFAOYSA-N 447.503 0.747 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1705662323 WCMFOBPKCBVQKB-HOTGVXAUSA-N 443.595 0.450 30 10 ICEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722320474 ZJRAPMTUDHUCMN-SFHVURJKSA-N 428.537 0.857 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)CC1 1722431098 FXOUACICYIWCLQ-HNNXBMFYSA-N 449.581 0.977 30 10 ICEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1730476108 DTCZYKDWQQBMSP-NQYYFHDYSA-N 434.541 0.840 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1740626881 NSXWDAOACOJRIN-HZPDHXFCSA-N 426.564 0.773 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1740685789 MKSCWDYNUNANML-IRXDYDNUSA-N 432.550 0.725 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1740954678 DPHFHRBMYQVVMG-QGZVFWFLSA-N 444.492 0.216 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966201 WTXWHKSDLOMTIX-SFTDATJTSA-N 432.525 0.337 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741480251 AGCRNCTYRLBIMW-YWMAMYRUSA-N 429.481 0.644 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1748791515 USEXVIUSLQUEGC-CVEARBPZSA-N 433.538 0.140 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748802181 MVOXNBQQSFEMQC-GOSISDBHSA-N 449.577 0.958 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749664234 ZWMGMNOWZORCDG-SFHVURJKSA-N 439.524 0.700 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760312669 BZZXIKBRQCYGBD-BBWFWOEESA-N 431.541 0.954 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1760389120 CTTLYNAQDOKWLP-JKSUJKDBSA-N 443.595 0.761 30 10 ICEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CC2)cn1 1769017191 CBGISSGIJNPURF-UHFFFAOYSA-N 440.533 0.921 30 10 ICEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOCC1 1869933322 CXUUHWNTBVLLLO-MRXNPFEDSA-N 440.591 0.685 30 10 ICEE C=CC[C@](C)(CO)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270522523 OYXYNXDPIUUQEV-LPHOPBHVSA-N 428.507 0.949 30 10 ICEE C=CCNC(=O)c1ccccc1NC(=C1C(=O)N(C)C(=O)N(C)C1=O)[C@@H](F)C(=O)OC 9771153 FWLUGWIPSZUHFP-CQSZACIVSA-N 432.408 0.830 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 484543326 PLVRLPPTVWULFT-OAHLLOKOSA-N 431.539 0.760 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 508889936 VDJOBZDYFOKCDF-DLBZAZTESA-N 426.587 0.965 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC)CC1 512705018 AUEMSDCIRIYKOA-UHFFFAOYSA-N 440.504 0.454 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671794 PGEQHCOUPSVCAV-INIZCTEOSA-N 437.525 0.764 30 10 ICEE COc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)N1CCCC1 731862224 AQKWVGVZECNBNA-CZIZESTLSA-N 448.501 0.736 30 10 ICEE CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(CCC)c2)c1=O 735068900 IMVRSDGSAZNZAU-UHFFFAOYSA-N 429.546 0.678 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)cn1C 752053201 DNMIHONNUZIYEV-HNNXBMFYSA-N 432.502 0.861 30 10 ICEE C[C@@H](C(=O)NS(=O)(=O)c1cc(Br)cc2c1OCC2)n1cnc(C#N)n1 798853232 MNGDEFCYQYOGKE-QMMMGPOBSA-N 426.252 0.913 30 10 ICEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 806507545 QOXHFOAVQFPNKI-UHFFFAOYSA-N 436.555 0.894 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 917356329 JIOUDXULFOYZCV-OAHLLOKOSA-N 427.530 0.244 30 10 ICEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1176433054 SMIHJJPDQGBZCS-ZBEGNZNMSA-N 431.923 0.552 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1286297093 UTNWHIDAKAFIOA-UKRRQHHQSA-N 449.562 0.826 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCOCC2)CC1 1286483726 WGXYQLSANJQBTE-UHFFFAOYSA-N 430.553 0.599 30 10 ICEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1 1286787513 VQPUZXDEQLGJBQ-AWEZNQCLSA-N 433.538 0.766 30 10 ICEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286823039 KIPCMLGSCQUYPL-CQSZACIVSA-N 431.522 0.796 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCSCC2)CC1 1300725804 KFQACSHOLQHHER-GOSISDBHSA-N 432.594 0.797 30 10 ICEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1301367038 JXDXKUQDNZYSLF-ROUUACIJSA-N 429.569 0.686 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1301817647 GEEBMGKSGJPAOY-KRWDZBQOSA-N 431.522 0.471 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961156 SIQNJNPIOWOSMP-AEFFLSMTSA-N 429.550 0.702 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCN(C)C(C)(C)C2)CC1 1359029924 KPIDDNICLURLNG-FQEVSTJZSA-N 447.628 0.783 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1359330542 VLJRNAFELMQXMA-UHFFFAOYSA-N 434.522 0.236 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507628853 IRKOVPLHSKWMQG-SJORKVTESA-N 433.534 0.716 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)NC)CC1 1507734815 ZCEDIUNKCBYQNO-UHFFFAOYSA-N 434.522 0.362 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1507772577 LQIZDCPJOZRRRI-NSISKUIASA-N 437.566 0.764 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1508070647 AQOFWXOYFSJVGR-UHFFFAOYSA-N 431.541 0.605 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCO[C@H]2CCOC2)CC1 1539477473 NWKINSSCRZQXOE-SFHVURJKSA-N 439.520 0.897 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@H]2C)CC1 1539477705 WGSIZPILCGLBQV-NXHRZFHOSA-N 428.537 0.868 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC2)CC1 1539477718 WQKMQUYUYIZHJP-GOSISDBHSA-N 427.553 0.681 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1543060246 HSSHIXUJPDAXKU-QZTJIDSGSA-N 438.569 0.979 30 10 ICEE CS(=O)(=O)CCOCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555809434 VAUUPKQLECJBTH-UHFFFAOYSA-N 446.533 0.827 30 10 ICEE Cc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1S(=O)(=O)NCC#N 1570328992 ITPNRUDPCJLELF-UHFFFAOYSA-N 449.577 0.323 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588006015 ADDUCJZXIUORJX-SJORKVTESA-N 434.566 0.674 30 10 ICEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1588387287 SOBVZNVFSBHGHJ-UHFFFAOYSA-N 432.554 0.461 30 10 ICEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1617486674 IIHVGJRJQSHIPD-GLJUWKHASA-N 426.516 0.502 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1618575281 BENYKWKEBJEIMS-JOCHJYFZSA-N 449.519 0.953 30 10 ICEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1643595504 CEDJRBGFZPCYLH-KRWDZBQOSA-N 435.546 0.882 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(I)c(O)c2)CC1 1650846288 QENWAYYPWWQXIL-UHFFFAOYSA-N 449.270 0.222 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689910698 NZZIONAHMXDNHI-MRXNPFEDSA-N 426.502 0.966 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690433032 RHBFIXMIRRELHN-INIZCTEOSA-N 429.529 0.720 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1705621486 FDQJKQYRWIUNRB-DOTOQJQBSA-N 440.570 0.233 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722365080 CNPUWHPINIIXES-DLBZAZTESA-N 432.550 0.807 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722729745 VZVJUFBVZVYIIW-FQEVSTJZSA-N 430.534 0.581 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729671474 LNGQXLAEMXNEMQ-RTKGTMKWSA-N 443.508 0.618 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740624561 JRHMHXAVUQDLDN-QGZVFWFLSA-N 432.550 0.803 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1740645584 IGFYSRVYBZPQDH-QGZVFWFLSA-N 434.566 0.216 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1740645600 IXMYXQNKHNZDKK-UHFFFAOYSA-N 448.531 0.552 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740957299 JBYRGOJPXPZIQK-OAHLLOKOSA-N 435.554 0.683 30 10 ICEE CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747211830 DUKNLWVTKUEJRI-ORIGZDJFSA-N 429.481 0.152 30 10 ICEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1749591761 YAKCYCPGSBBNAS-OXQOHEQNSA-N 449.533 0.607 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1749678209 ZHENHBQYFNKUBY-UHFFFAOYSA-N 444.584 0.989 30 10 ICEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1751806172 ISCBGFCTNHLKMH-SJORKVTESA-N 433.538 0.894 30 10 ICEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760279062 PRVOBRGKTSPLBA-UHFFFAOYSA-N 427.534 0.567 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770335352 ASBYYOIJQUPOJX-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN(CCO)CCO 1870519618 ZGMNDMQEJZAODA-UHFFFAOYSA-N 429.517 0.559 30 10 ICEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625484 KQZBZFHJNYLRGS-UHFFFAOYSA-N 435.290 0.355 30 10 ICEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255693693 IOQJTMWKWWHMIS-FQEVSTJZSA-N 436.318 0.781 30 10 ICEE Cc1nn(C)c(N2CCN(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 472158329 PDVZZZASCMYMQA-QGZVFWFLSA-N 436.582 0.394 30 10 ICEE Cc1nc(CN2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n[nH]1 611431174 XJVNFRGZSBSZKS-HXUWFJFHSA-N 440.527 0.779 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732678944 OXDIRUJSRSCGNC-SFHVURJKSA-N 447.561 0.646 30 10 ICEE CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706803 RNUZVFSZQQANSA-IBGZPJMESA-N 427.505 0.980 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763387314 GUGMUIXUSCVUMQ-ZCXUNETKSA-N 436.465 0.866 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767885534 UCGOVLWBZTUMKO-UHFFFAOYSA-N 437.506 0.493 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1286390499 BISUPOPPGFZPBJ-CABCVRRESA-N 425.580 0.779 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1286392634 MJCWBBHVMXYTLO-INIZCTEOSA-N 431.518 0.977 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1286398901 SRWMPVCLSMNXPE-JQHSSLGASA-N 449.533 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(OC)CCOC2)CC1 1286485561 PYIDPKUDDUFWGI-JOCHJYFZSA-N 444.536 0.285 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CC2)CC1 1286646321 PHQVIOYNWSIGPS-APWZRJJASA-N 425.555 0.928 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286783796 LXBBQTQZQREPJI-AWEZNQCLSA-N 426.477 0.685 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1286787338 SAKAYLFKJMUYJU-UHFFFAOYSA-N 427.513 0.365 30 10 ICEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)CC#N)CC2)cc1OCC 1294723889 VSUOXKIKAJFCQT-UHFFFAOYSA-N 438.506 0.347 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301475082 LQPWVYZLNFXHJD-KRWDZBQOSA-N 445.568 0.805 30 10 ICEE CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305374148 KKQQQIZRXBQCFQ-LZICOFPGSA-N 445.524 0.613 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCC2)C1 1359326760 JBBCOWHDGUINTF-AWEZNQCLSA-N 431.584 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1359336178 HOAJMVCYVXBCAE-JYJNAYRXSA-N 441.554 0.318 30 10 ICEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Br)cc1 1450271277 KOKXZJZLWYAUOI-LBPRGKRZSA-N 440.275 0.910 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507588605 OMWOQNNJHGLNBJ-QGZVFWFLSA-N 442.545 0.951 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507637741 MTGXEDQMMFNZGG-CVEARBPZSA-N 444.579 0.409 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2COCCO2)CC1 1507737769 DYKSXKRISKGLTP-SFHVURJKSA-N 427.509 0.450 30 10 ICEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507845984 WIUMMUBURFCZLE-SFHVURJKSA-N 442.495 0.748 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1508090513 IXQRVQZLNOORKX-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1508096489 HCIVHZYAPLDWGC-MRXNPFEDSA-N 440.570 0.730 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1508122993 HDKAILCIUFMNIZ-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE CC(C)(C)OC(=O)C1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1526503187 MMQLOOKBLAVHRE-UHFFFAOYSA-N 437.518 0.980 30 10 ICEE N#C[C@@]12CN(C(=O)c3cccc(NC(=O)CCn4ccnc4)c3)C[C@H]1CS(=O)(=O)C2 1538539551 JMZGEVJPIFBPCE-JXFKEZNVSA-N 427.486 0.922 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540877153 MEGPTVYSPAMZEY-OAHLLOKOSA-N 426.543 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540897422 IUZZKQPGXPVZDX-INIZCTEOSA-N 447.565 0.842 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1540908794 NXNNZLMITALSHQ-MSOLQXFVSA-N 427.502 0.973 30 10 ICEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1554500510 BDPNXABWMNVFAC-CJNGLKHVSA-N 438.485 0.835 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)CC1 1556022705 LXXKYVLKGOQZCQ-VHEBQXMUSA-N 448.549 0.772 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(=O)n2ccccc2n1 1583402719 AMZIXGBVKXNLSG-UHFFFAOYSA-N 425.470 0.830 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587803610 HMJPJZDCXUCTBI-UHFFFAOYSA-N 436.476 0.859 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC=C)CC1 1588865211 QNELVURHHQDXNM-UHFFFAOYSA-N 427.534 0.327 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1589544641 JNFMGZFSDDTQBA-UXLLHSPISA-N 425.555 0.734 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1594732921 JLEWAMOOZCNSAR-JKSUJKDBSA-N 440.570 0.669 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595562450 ZKTSVZLNGZKFPV-INIZCTEOSA-N 436.520 0.876 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1640364783 CLVCJMHSTVRAQO-BBRMVZONSA-N 431.518 0.396 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1645144086 WKPMMZIKBZLREV-CYBMUJFWSA-N 425.532 0.731 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C(=O)NC)C3)nnc12 1648851681 AZHOBILSIHBODY-ZDUSSCGKSA-N 426.502 0.917 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 1671028140 WWAGYRBQHKFRMC-INIZCTEOSA-N 425.942 0.714 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1685113761 NYQUOPPOHJFBHF-UHFFFAOYSA-N 449.515 0.560 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690113594 OEGQZNPLOUJAIW-VGOFRKELSA-N 430.553 0.600 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690724449 PFNRNILYNLVURJ-KSSFIOAISA-N 425.511 0.414 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1696084563 BZLDVSHNUBVBCW-MGPUTAFESA-N 430.465 0.682 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccccc1 1705589471 QWIKHFDSLVMBKN-UHFFFAOYSA-N 442.545 0.858 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1705621664 KHOMFVRTZNCFQW-KXBFYZLASA-N 427.571 0.916 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1705621745 MZNSHJKHGNVCLZ-JKSUJKDBSA-N 449.533 0.814 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCN(CC)CC2)CC1 1705639445 OLQWQBSMGUNEOZ-OAQYLSRUSA-N 429.613 0.955 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC(C)C)CC1 1705645197 NPRKUARZAURIQW-QFIPXVFZSA-N 446.552 0.421 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C 1712557775 XQOXHPOTTJNABQ-MRXNPFEDSA-N 442.524 0.684 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1722359041 ICFOLCPUTMXAOP-SFHVURJKSA-N 436.501 0.735 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnnn1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740628690 ZOXFONWSPJGYKZ-MRXNPFEDSA-N 446.581 0.938 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOC2=O)CC1 1740704375 MVCJJHJAIOSCLJ-UHFFFAOYSA-N 440.508 0.487 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740960225 NRNHVDJFYYSXMF-GOEBONIOSA-N 447.565 0.730 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)C1 1740980090 HUKMEXNGDRZKKO-HOTGVXAUSA-N 425.555 0.878 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1751572573 GRAQYWLIMPLFKG-GOSISDBHSA-N 426.477 0.753 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760554116 RXPOFWXQNJFRDI-NVXWUHKLSA-N 449.533 0.610 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1771305112 SZSBLXKZSRZGAZ-XWSJACJDSA-N 434.541 0.699 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)CC1=O 1872995095 SPHHTLBIIRDVIE-SJORKVTESA-N 442.491 0.884 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CO)C1 2255626815 KVURWZKLSICCJE-ZDUSSCGKSA-N 436.318 0.763 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 751922977 GWYNBZXFXICQFH-CZUORRHYSA-N 430.534 0.692 30 10 ICEE C#CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 774050711 AHQHCROYHKUZNA-YQQAZPJKSA-N 437.522 0.173 30 10 ICEE NC(=O)CN1CCc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2C1 788833315 UBVXASJZMOBVKW-UHFFFAOYSA-N 427.486 0.207 30 10 ICEE CC(C)n1cc(C=NNc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cn1 1084525349 CNYVDKHJGHUZLX-UHFFFAOYSA-N 443.497 0.463 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1276908611 BQBLDLOVCHMUAV-GFCCVEGCSA-N 435.483 0.076 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286508407 MCUHZQWPEBMHBZ-QGZVFWFLSA-N 446.577 0.595 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1286785320 DDMDHTRCCMPZIV-KBPBESRZSA-N 432.481 0.548 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1286787680 ILSQNZBOBWQHAA-MRXNPFEDSA-N 442.586 0.784 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300479110 IKUDKTGWEWXFIS-MRXNPFEDSA-N 446.533 0.495 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504302 LMKIKCIKTDGBOX-OAHLLOKOSA-N 435.554 0.836 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300762244 HMGKEVDBJUQIDD-KGLIPLIRSA-N 434.609 0.416 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1300762583 KIQUHUWOIJGFLT-HRCADAONSA-N 441.579 0.345 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 1301152561 ZUBHHLXVMFAUFC-LSDHHAIUSA-N 440.570 0.525 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1316492073 KPPIIBRPFMZQNE-RCPIYVMVSA-N 431.472 0.721 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1359301200 UTIPMHHPYJIUHN-UHFFFAOYSA-N 439.524 0.081 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CCO1 1503769832 BTRSMKXPDSPHJE-SFHVURJKSA-N 439.520 0.930 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1508141612 VZBMUONRSMCBRC-MRXNPFEDSA-N 433.538 0.641 30 10 ICEE CCOCc1nnc(N2CCC(CC(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1516511481 WLGYLSIHDBUDKF-FMQUCBEESA-N 445.524 0.694 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC2CCS(=O)(=O)CC2)cc1 1521109866 HTDMAVHDXVMGOO-UHFFFAOYSA-N 444.517 0.490 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)CC(F)(F)F)CC1 1539459556 JQSLZYWMXYKVCB-UHFFFAOYSA-N 427.475 0.650 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cn4ccnn4)o3)CC2)cc1 1540647667 FKWLFRIEKQVPNW-UHFFFAOYSA-N 426.458 0.938 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1557429837 RNBRYZMZSISDOQ-LJQANCHMSA-N 428.514 0.720 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)CC1 1558075012 MRYJMFFMYXHQBZ-TWOQFEAHSA-N 425.551 0.746 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1588265842 IMDYXDYFAOZAFS-KRWDZBQOSA-N 438.598 0.993 30 10 ICEE C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2ccccc2Br)CC1 1616927134 ILDQIYODOWBCAL-HNNXBMFYSA-N 430.324 0.748 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1617866575 MLTJDJNMXCPUFT-ZIAGYGMSSA-N 447.916 0.929 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 1629147905 ZLUKTVNFKBYUTG-UHFFFAOYSA-N 430.486 0.791 30 10 ICEE COC(=O)C1([C@]2(O)CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CCC1 1636123427 PEEUVQRTWQBGPR-NRFANRHFSA-N 449.529 0.812 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2)c1 1636585924 CSPSNMPDURGNBO-UHFFFAOYSA-N 433.472 0.923 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1689945652 HCPDJTPMOBSUPX-QFBILLFUSA-N 446.577 0.573 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690671230 RFLBAVZGCVVFFT-HUUCEWRRSA-N 426.543 0.340 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1692559033 KEXAOBPYYNDHTH-KIJUOZEOSA-N 431.497 0.617 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1697617493 CCKMHMWZAVPPIL-KKSFZXQISA-N 428.493 0.661 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705572014 OSGJLKHKIOQWDL-BBWFWOEESA-N 440.566 0.790 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1722296327 OYWAGFQTZRXBRU-NXOAAHMSSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722367305 VMZCMVLKIBEIGS-JYRCXFKTSA-N 435.575 0.659 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722368621 SETZMJFQSVNLSV-GQIGUUNPSA-N 435.550 0.625 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722371440 WLSYGZAJQAAQDF-JKSUJKDBSA-N 447.517 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)CC1 1722432711 ZFVNMOGYESONFO-OAHLLOKOSA-N 435.554 0.551 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1722441936 UWTXWAHVVKQPMC-UHFFFAOYSA-N 445.593 0.862 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1731006891 DFBXMOZRHXORGE-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1740640411 MRGMFURKFXFLSU-HOTGVXAUSA-N 448.574 0.944 30 10 ICEE CCOCc1nnc(N2CCCN(CC)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747173624 ZEROMSYFMHBJIP-HNENSFHCSA-N 431.497 0.400 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)CC1 1748990152 UNLZGZXFVRWDHA-INIZCTEOSA-N 433.538 0.260 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1760446984 HJRCSDATSYMUQC-HUUCEWRRSA-N 428.559 0.538 30 10 ICEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)CCN2C1=O 1765299517 WBBISPLRCODFCG-INIZCTEOSA-N 436.476 0.426 30 10 ICEE CNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767823871 AYBBJFJGKATSPO-FOCLMDBBSA-N 430.513 0.563 30 10 ICEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCOC1 1768213013 HENAQXMOJHIJQT-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2C(=O)NCC#CCN1CCCC1 1850996400 UTBQQKJRLARNCF-MRXNPFEDSA-N 425.551 0.484 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)[C@@H](C)C2=O)CC1=O 1857487577 APFUAWUFASVIJY-GJZGRUSLSA-N 437.493 0.917 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NC[C@H](C)O)nc1C 1872706961 WWQKCNSBOHDUGZ-QMMMGPOBSA-N 425.423 0.305 30 10 ICEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC(=O)NCCC#N 1882493009 RRWHLWLCVGXPBG-HNNXBMFYSA-N 425.463 0.589 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2022955709 WFPXRXGPSLYIIG-KKUMJFAQSA-N 426.319 0.878 30 10 ICEE Cc1c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834928 RMOFWRQKDJOYLV-UHFFFAOYSA-N 430.236 0.778 30 10 ICEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2269047640 WCJQPHCVKRCKFS-DZGCQCFKSA-N 444.297 0.903 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 32464418 YVMQTCPMMNXMMB-UHFFFAOYSA-N 434.562 0.968 30 10 ICEE CCc1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 438096350 ONBHUPCMUFWJNL-UHFFFAOYSA-N 428.474 0.382 30 10 ICEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 444067068 YGESWHQZKJDKJB-UHFFFAOYSA-N 447.542 0.905 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)N(CCC#N)CCC#N)CC3)C2=O)n(C)n1 506641724 HCASKTFYCRRUDW-IBGZPJMESA-N 440.552 0.497 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 514835816 PINARTCTHOXREO-UHFFFAOYSA-N 442.516 0.186 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCO2 735295423 WZSWKFUSQJAIIF-UHFFFAOYSA-N 445.460 0.524 30 10 ICEE C=CC[C@@]1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCN1C(=O)OC(C)(C)C 790570927 NRJVUZGFPYIZTA-FQEVSTJZSA-N 433.513 0.690 30 10 ICEE C=CC1(CC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1142290130 VGWFRJSVDYXKIG-UHFFFAOYSA-N 430.571 0.493 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 1220970348 QIBCXCRPXVNJMN-UHFFFAOYSA-N 434.440 0.879 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1286478906 DJCVZTVVCWEPSB-IBGZPJMESA-N 438.532 0.840 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1286726429 FBABXRYSDSIZRJ-INIZCTEOSA-N 442.586 0.344 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1286820765 RNCRGPDRNXMLBL-KBPBESRZSA-N 434.609 0.723 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300492831 OWUCRPGEESNTSL-HOCLYGCPSA-N 432.506 0.509 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301506072 GPDXXWIHJWFALC-LJQANCHMSA-N 425.537 0.725 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1358994085 DPOFXTTZTQJWBD-GOSISDBHSA-N 435.550 0.501 30 10 ICEE C#CCSCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359057841 KIRXXMMALRJMIC-MRXNPFEDSA-N 427.596 0.838 30 10 ICEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1360563233 GSDFAWCVZLVOLA-IIDMSEBBSA-N 426.518 0.343 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1nccn1C 1435011113 BINJFZZTSXHXJN-PMACEKPBSA-N 437.504 0.760 30 10 ICEE CON=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1446531519 VORVKEOGBHISAM-AWEZNQCLSA-N 426.495 0.869 30 10 ICEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC#CCN1C(=O)c2ccccc2C1=O 1460460405 SKRYFEVWLVHXNN-HSZRJFAPSA-N 443.500 0.874 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 1475407125 DKOMWOHOMVZRPY-UHFFFAOYSA-N 432.424 0.243 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1494657275 BGYVUZIIVGMHDL-YWZLYKJASA-N 449.533 0.749 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1508092615 RPPIMDIJRMVBBT-HOTGVXAUSA-N 440.570 0.538 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC(=O)N2)n1 1539423661 BNLJJFSIGKRZAP-ZWKOTPCHSA-N 441.536 0.933 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccs2)CC1 1539427713 IAYSGSCHRDIFHF-UHFFFAOYSA-N 429.550 0.663 30 10 ICEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1541186161 HDKGBOQMIZMGKG-HNNXBMFYSA-N 437.526 0.703 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)CC1 1588198847 ANQXMGWSHHGOKD-UHFFFAOYSA-N 433.490 0.319 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2COCCO2)n1 1588724220 VSZOMFUFDXHWJS-HKUYNNGSSA-N 430.509 0.680 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)CC1 1588813784 ZYNLYLSMHWOGOB-RBUKOAKNSA-N 434.610 0.667 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1593746468 GBRLXLILPOEXJD-PMPSAXMXSA-N 431.534 0.998 30 10 ICEE N#Cc1cn(CCNC(=O)c2cccc(F)c2I)c(=O)nc1O 1633550433 QPKPHXVVEHGJEA-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE C=CCn1cc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 1639557505 FUDQLEHBKRIHSB-UHFFFAOYSA-N 446.533 0.394 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1645144147 XWVQGDBAFBKKOD-DZGCQCFKSA-N 425.532 0.841 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)n(Cc2ccc(F)cc2)c1C 1646112570 HXWANKBPEKKVMH-UHFFFAOYSA-N 440.479 0.732 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)C1=O 1648536714 URSLSNCDPJIQRN-UHFFFAOYSA-N 438.481 0.184 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1689876829 JIMBDMKXEIIXLD-ZFWWWQNUSA-N 437.526 0.961 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1690077398 NXWFZVWLDIWFSP-QGZVFWFLSA-N 425.555 0.887 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1690622397 ORWQNLDCAAFSAF-OAHLLOKOSA-N 427.571 0.981 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690669677 LZSRTTVRINHHDU-HZPDHXFCSA-N 431.541 0.520 30 10 ICEE CC(C)(C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691111022 XDMQRXWPACZYAC-HEWTWTGNSA-N 429.525 0.623 30 10 ICEE C#CCN(c1nnc(COCC)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705572277 WPUJXOKHQPIFDB-HNNXBMFYSA-N 435.506 0.464 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1705613291 XXOCJGLLRIOWFI-SFHVURJKSA-N 443.533 0.767 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCNS(C)(=O)=O)CC1 1705641695 PGHREQPPZRQFEM-UHFFFAOYSA-N 430.578 0.758 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCCO)CC1 1705763138 PAPXRLLROGSPJC-SJORKVTESA-N 426.587 0.892 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722699257 TVZFQDIKDAMACC-MSOLQXFVSA-N 429.525 0.885 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1722703556 BMXOIUPMOGQBOF-QFIPXVFZSA-N 446.552 0.681 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@]2(CCOC2)O1 1726666195 HDMMXXMASBDADF-YWZLYKJASA-N 446.533 0.750 30 10 ICEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729206320 DZNXVQWRXRFIQK-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740990976 LGIIRUYZFKIQFB-JKSUJKDBSA-N 447.565 0.948 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1741730852 FSRATJQFCCXYTE-ACJLOTCBSA-N 428.440 0.429 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1748751194 DARRRJUYYUFWID-HOTGVXAUSA-N 428.580 0.997 30 10 ICEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1750202699 KLCHMEVCGIJWAQ-CALCHBBNSA-N 433.490 0.725 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1750215016 LTZWOFFIDBMDIY-HXUWFJFHSA-N 443.533 0.472 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1751845101 NIYMIBUVPUKGJP-LIRRHRJNSA-N 429.460 0.570 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1751985916 GGGNOJIQGQXZBJ-CRAIPNDOSA-N 426.477 0.811 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760185563 ZIZGQJJNDYIMRI-OXJNMPFZSA-N 433.534 0.716 30 10 ICEE C#CCN(c1nnc(CC)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760186620 PLMWYOKAGCOZSD-GOSISDBHSA-N 447.536 0.965 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1760212508 WMKOAZNWPRWESW-NRFANRHFSA-N 449.577 0.817 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CC1 1760260404 QULZKQSJRHYSJZ-OAHLLOKOSA-N 447.341 0.644 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760357114 DYKODWROPKJCMC-ULQDDVLXSA-N 443.570 0.817 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1760566403 SLMZKAMABLCWOA-WMLDXEAASA-N 444.558 0.972 30 10 ICEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)NC 1764891979 ASPNSNRKBBMQRO-UHFFFAOYSA-N 431.566 0.974 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1768452714 LDTYDZUVKRTLON-UHFFFAOYSA-N 436.476 0.426 30 10 ICEE CCCc1ccc(CC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856835644 VLWBFHKKFGUPKS-LJQANCHMSA-N 432.546 0.780 30 10 ICEE O=C([C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(CCO)CC1 1869928068 OUTXMHCUCPTTIY-LJQANCHMSA-N 442.541 0.473 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCNC(=O)OC(C)(C)C 2255648388 LOSRSNIRAGFJSY-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE CC1(C)OB(c2ccnc(N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)c2)OC1(C)C 2266062199 SSZZVBUTQXRKQO-AAEUAGOBSA-N 442.247 0.740 30 10 ICEE C#C[C@H](C)N1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2362118166 JMSXMZHIIPQYDL-WMZOPIPTSA-N 437.518 0.424 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccc1F 610008185 HUXFBARNKAFHPF-UHFFFAOYSA-N 432.481 0.835 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NC4CCN(CC#N)CC4)CC3)C2=O)n(C)n1 611562298 BOCFIMRFMIPBFC-LJQANCHMSA-N 442.568 0.539 30 10 ICEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 619107037 MGIANFFLQWZJFE-UHFFFAOYSA-N 444.517 0.275 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cn1 735068857 GVRDYUPICUGVBZ-UHFFFAOYSA-N 429.546 0.534 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 743728061 GKKZZPZWSSWTKD-ZDUSSCGKSA-N 434.543 0.119 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCN2CCNC(=O)C2)C1=O 781102227 FWPSGPGZGWXNLK-QGZVFWFLSA-N 446.577 0.118 30 10 ICEE C#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1141593076 AODXSJXEBWVSLC-INIZCTEOSA-N 448.545 0.510 30 10 ICEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286674522 GFWZBTQVRGGRPZ-HNNXBMFYSA-N 429.525 0.150 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300495695 JOKXRQDUXMKCHB-CABCVRRESA-N 436.563 0.811 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301579862 ZJUJHSIPVBXGDF-ZBFHGGJFSA-N 433.538 0.242 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CC(F)(F)C2)C1 1316354341 GLVOQEOMHCCCSM-KGLIPLIRSA-N 446.480 0.385 30 10 ICEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1322844282 ADLFJMMDMURVEF-QZQOTICOSA-N 441.488 0.938 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358960787 LSRUKGDGUZQBQC-SJORKVTESA-N 429.550 0.846 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(S(=O)(=O)C2CC2)CC1 1453560109 DFRXZZCVYYIGGU-UHFFFAOYSA-N 440.547 0.142 30 10 ICEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 1507593174 JVSBNRDZMWABIV-UHFFFAOYSA-N 430.534 0.978 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1507710143 CGHMFCHCSXREDR-VQIMIIECSA-N 441.554 0.266 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(n1)CCCC2 1510217528 HOHZXXJRBJVLDJ-YOEHRIQHSA-N 445.549 0.939 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1519450306 OTETUNACMUMKNQ-KKUMJFAQSA-N 425.511 0.308 30 10 ICEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1559640601 ZILCAFVVJUIRAN-GOSISDBHSA-N 439.559 0.131 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1588138429 CLULUBUMUBFCBA-QGZVFWFLSA-N 437.566 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1595798010 LCIMYJFIHKWEGJ-KRWDZBQOSA-N 441.598 0.930 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1C(=O)OC 1617317509 APHQNSOXGVBFCJ-NWANDNLSSA-N 433.848 0.985 30 10 ICEE COCCOC1(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1624416418 VVAGNYGBNMZUEW-HNNXBMFYSA-N 439.534 0.832 30 10 ICEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1637231830 ADIRRQBEMCTXKQ-MUUNZHRXSA-N 441.579 0.538 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@]1(O)C(=O)Nc2ccccc21 1651169805 AKOPJDSEIVKGGV-FQEVSTJZSA-N 428.470 0.461 30 10 ICEE N#CCC1(CNC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1681955615 DQGUQDYDKYYRFA-UHFFFAOYSA-N 448.549 0.628 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1682263127 KTMUDZJOLKJZKJ-KRWDZBQOSA-N 432.496 0.910 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1689966385 QGJZZFPPBSHRDU-YJBOKZPZSA-N 433.534 0.782 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692235730 QLGAFQLJDUEAQM-MJWGMMHASA-N 442.524 0.559 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1692774536 HFTBFMYYSNIXPY-LBPRGKRZSA-N 430.556 0.205 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1705687747 IZGMYPVYCISLFA-LBPRGKRZSA-N 444.355 0.900 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1705908134 JGFFSAQNACNCGZ-QGZVFWFLSA-N 444.492 0.119 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706587945 UGLCUUBSXXWAMG-ZFDMEJTGSA-N 431.497 0.415 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1711304289 XMWLQPKPGYBNJB-UXPDKRSESA-N 438.492 0.685 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1722412826 FNBKPPYLRAAGQH-CYBMUJFWSA-N 425.540 0.279 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnnn2C)CC1 1722434440 RMDJOAHRFZHHHA-UHFFFAOYSA-N 440.533 0.281 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1722462785 XZHZLZGGRGNOAR-JKSUJKDBSA-N 443.595 0.450 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722604223 WJQXELXELOZVFZ-CVEARBPZSA-N 440.570 0.634 30 10 ICEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1728754034 FRESXFOAXSEBBI-FHLIZLRMSA-N 427.527 0.218 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1730586419 IQFOPIIZVQOJPH-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740615546 GUBZEZGEEBIKLG-DLBZAZTESA-N 436.582 0.385 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1743196239 ADLALOVFZBEPRC-OAHLLOKOSA-N 437.504 0.766 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747665040 MFFMVIHSSYRACK-FMQUCBEESA-N 443.508 0.052 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1748817433 KRWAFVAPQPBDRV-FICWAZMISA-N 428.580 0.567 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1748964988 OESSPDXJNAPAFM-QGZVFWFLSA-N 437.522 0.647 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](COC)OC 1749067556 UHIRUJOTNNGVRA-JTDSTZFVSA-N 441.554 0.265 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760137585 KUJQAOAFHHLBFQ-CVEARBPZSA-N 443.595 0.502 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCO)CCN1C1CC1 1770748839 SETXMGHLQCLTRO-FUHWJXTLSA-N 436.582 0.909 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCNC(=O)OC(C)(C)C 2247875788 CHHLTNRTKCEOQR-UHFFFAOYSA-N 445.351 0.307 30 10 ICEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 27559459 CDZLFUMVNPPOKP-MRXNPFEDSA-N 437.566 0.184 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2cc(Br)cs2)C1=O 427567394 WRMIKWQYDUCQAD-UHFFFAOYSA-N 430.280 0.808 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)n(C)c1=O 438626122 HFKDSXFBLARXCB-UHFFFAOYSA-N 437.460 0.207 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 484543320 PLVRLPPTVWULFT-HNNXBMFYSA-N 431.539 0.760 30 10 ICEE C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 533059732 DAKPTTIFSQUCJM-APHBMKBZSA-N 438.575 0.523 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 748063286 MFOCVXMXKMDLDE-UHFFFAOYSA-N 441.557 0.822 30 10 ICEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 802633157 PQRMGZNRXOHOPU-QIIGAIICSA-N 435.506 0.175 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(S(=O)(=O)NC(C)(C)C)cn1 814799591 NCXDXWQITPQTFD-UHFFFAOYSA-N 429.528 0.455 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 1140713559 GPKWPGHIMAEXEK-UHFFFAOYSA-N 428.511 0.846 30 10 ICEE CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1226109416 BKUMRQNYJBXYJM-LJQANCHMSA-N 440.504 0.434 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286380434 IJDPZBNJQYGUCH-AWEZNQCLSA-N 436.563 0.856 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286386924 JYFHJWDAIOAPEV-JENIJYKNSA-N 447.561 0.962 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1286468000 XZOIZAKHFJQWLK-QGZVFWFLSA-N 439.538 0.044 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC1 1286491976 CAQFGJJHNVFPJV-KRWDZBQOSA-N 437.566 0.573 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1297756769 KUDRWZAJGKHXDC-IBGZPJMESA-N 437.570 0.974 30 10 ICEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1299227566 XTNZWNWMUKEEQO-ZWKOTPCHSA-N 428.493 0.841 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300488215 PQAVUNKEEOSEDP-KRWDZBQOSA-N 428.522 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301595820 BIWFSFMGOVJIOP-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301610173 SMLKJCHLDZGWSM-CYBMUJFWSA-N 433.538 0.669 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358963543 JZGIWMDEVWDUAP-OAGGEKHMSA-N 435.550 0.323 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1359090413 AUUZENUPICXDIP-UAGQMJEPSA-N 440.570 0.538 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1360798500 KIFZOYMQLZEUGY-KRWDZBQOSA-N 437.504 0.970 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(O)CC1 1497085546 GBVTZZVVKTUCNZ-SFHVURJKSA-N 433.557 0.772 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1507623310 QUHCVILLXKEROX-ZJIFWQFVSA-N 443.595 0.876 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507633570 TUHUVWDEOSKOHO-PFRQMTDMSA-N 438.550 0.686 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508129893 DYFVWYZKYZDRGV-HUUCEWRRSA-N 429.543 0.257 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 1509430891 CEYRDIHVXWTKJX-ULQDDVLXSA-N 441.602 0.841 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1512366778 DPTHJTKVLLXPRQ-OYFMKPPVSA-N 443.508 0.654 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1539219964 GFUPZIVMZPVPBB-DLBZAZTESA-N 439.607 0.458 30 10 ICEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1539408765 BZRVCOGRFRKFJQ-OAHLLOKOSA-N 445.549 0.603 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCC2 1541925410 BYYHWRYZIAPADC-ZDUSSCGKSA-N 433.542 0.604 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1541927290 HQRJYZHTFIITSL-FZKQIMNGSA-N 436.517 0.840 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1 1542894851 PHOINCDAFQEWOV-UHFFFAOYSA-N 427.473 0.509 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1585660503 MOUWNVFKCIWXOB-WOSRLPQWSA-N 429.545 0.298 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1587808992 XDZYPGJVQYKEKR-MRXNPFEDSA-N 432.554 0.727 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1588983968 DNBKDSPCOSDEGY-CQSZACIVSA-N 442.611 0.607 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccccc2I)c1=O 1614708655 OHEFHSJRFFJNAS-UHFFFAOYSA-N 440.197 0.117 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1618552224 IVHABZSIMOYYRD-YEQJUMHLSA-N 445.524 0.864 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1cc[nH]n1 1626084478 ZJABMKKGBDGVJX-HNNXBMFYSA-N 443.460 0.490 30 10 ICEE N#Cc1ccc(CN2CCCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)cc1 1629003044 VFOPBETXDSKDJA-IBGZPJMESA-N 425.464 0.918 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(OC)OC)CC2)cc1 1667322700 VPFVKZBKTXHOTQ-UHFFFAOYSA-N 440.522 0.788 30 10 ICEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1687350978 QWAGCSUTWTVSOG-NVXWUHKLSA-N 436.490 0.152 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1689872354 WDGUQMFTBFEOES-HXUWFJFHSA-N 431.518 0.446 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690248774 PURHKVCKHFKBDY-MJGOQNOKSA-N 446.552 0.329 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1690346290 PLCFTXKCAXQITL-AWEZNQCLSA-N 431.946 0.980 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690669894 ROKLEMSOMNYNEO-STQMWFEESA-N 429.447 0.604 30 10 ICEE COCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712364004 QFASUKPZUZPUOC-HOCLYGCPSA-N 425.559 0.491 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1722695034 PYVOLOBRASKOBY-OAHLLOKOSA-N 426.477 0.720 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cc[nH]n1 1740646890 KVIFSYCKJDMKQI-NRFANRHFSA-N 425.493 0.546 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740958618 RTHAKKBXFIPBPP-MRXNPFEDSA-N 429.525 0.370 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1748639859 MXWPDLXHJOSHPP-GJZGRUSLSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1748821147 MPIMAWLWNGSGJD-KRWDZBQOSA-N 446.508 0.610 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(O)CCOCC2)C1 1749696994 GRJNLKKHLKAJKC-HOTGVXAUSA-N 443.570 0.601 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749735285 RCCVZOWHZMJECW-INIZCTEOSA-N 425.555 0.830 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760144821 BOHPUXJHWWQXDE-SJORKVTESA-N 435.554 0.712 30 10 ICEE CC(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1760929517 RQJSVXLNOYCDMN-UHFFFAOYSA-N 427.509 0.895 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1767771257 GANXOGJANMAULW-KRWDZBQOSA-N 439.520 0.884 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1772566555 GKWXEDGNMWMFPJ-HNNXBMFYSA-N 443.533 0.555 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)CC1=O 1855149601 QDGWWPDCTGIAAV-GDBMZVCRSA-N 425.507 0.573 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CCC)CC3)OC2=O)CC1=O 1856739754 ZEDVIENSPSEZSJ-HOTGVXAUSA-N 427.523 0.820 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598425 WPRSRXILHAFIJK-GXTWGEPZSA-N 436.318 0.667 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267172543 BYCNHRJAUHMGGC-UKRRQHHQSA-N 448.329 0.733 30 10 ICEE Cn1cc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522977 YTDRKYWDPKBWBT-GOSISDBHSA-N 439.369 0.923 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 29153070 XOVLMBIEGPUJOQ-UHFFFAOYSA-N 430.477 0.541 30 10 ICEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OC 435140802 KVFLOPRJMWADLG-KRWDZBQOSA-N 426.491 0.490 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 482890192 BAISSIVTVHOZJP-HNNXBMFYSA-N 426.520 0.151 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(N)=O)CC1 508496156 CLLYCFWGZYYKIG-OAHLLOKOSA-N 426.543 0.279 30 10 ICEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(N)=O 526038228 MAACCKLJGLGJNX-UHFFFAOYSA-N 428.514 0.616 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 549246175 FACPCFLWQXFZRM-BEFAXECRSA-N 438.554 0.294 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603989527 BYACYKMGAPZVRA-CYBMUJFWSA-N 446.510 0.840 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727813653 BVWVFMKDRSQKPK-UHFFFAOYSA-N 438.509 0.796 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 730537318 RVCDLWVWWBLANU-MOPGFXCFSA-N 438.571 0.877 30 10 ICEE C#CCN(C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 802529136 RFUOIBBJKVUIGA-HOTGVXAUSA-N 427.548 0.575 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1286395826 AJCGKMYWSDPZKR-HNNXBMFYSA-N 431.566 0.868 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 1302921575 KZOXZOSXFDWLNN-IBGZPJMESA-N 446.573 0.767 30 10 ICEE Cc1cc(O)nc(N2CC[C@H](NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1303599821 GPQNDCZKJLJXLS-OCCSQVGLSA-N 444.517 0.703 30 10 ICEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316044145 XWWJWHNHQJLRCA-INIZCTEOSA-N 427.513 0.506 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358904638 IUUBJXNGOZFLKQ-HOTGVXAUSA-N 441.579 0.319 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1358994086 DPOFXTTZTQJWBD-SFHVURJKSA-N 435.550 0.501 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1359010025 DQKQIOHURBMFGN-KRWDZBQOSA-N 434.522 0.522 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CCOC)c2)CC1 1359038062 JCIPQRVLTYOEND-UHFFFAOYSA-N 426.525 0.047 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1359048434 QTBYQRGFAYDSEB-AWEZNQCLSA-N 429.506 0.243 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359113211 CGEKDIYGTKUEJM-JKSUJKDBSA-N 445.611 0.864 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359336679 YOZFRWWFHCCIQO-QLFBSQMISA-N 434.584 0.988 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCN(CC)CC1 1497084294 AGEFLGXCZIQBCE-IBGZPJMESA-N 446.600 0.953 30 10 ICEE COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1504831449 RLLLDTIMJLXBEI-QAPCUYQASA-N 426.543 0.778 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1540872134 DJVRNESRANQUNQ-UHFFFAOYSA-N 449.515 0.836 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540874924 WEPMJHRUPXHODI-GOSISDBHSA-N 439.524 0.753 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1540908795 NXNNZLMITALSHQ-QZTJIDSGSA-N 427.502 0.973 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1555990567 IWGBHHZCAXGFNR-GOSISDBHSA-N 426.477 0.861 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1588138774 IZSVMWSHUNHDOO-IBGZPJMESA-N 448.593 0.416 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588929409 AATQJFDZBODMGI-GUDVDZBRSA-N 431.537 0.799 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595799101 XLVCBOMEQGXUOU-HOTGVXAUSA-N 437.566 0.878 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1612877429 BQOMLQBUSSSSCE-CJNGLKHVSA-N 436.476 0.472 30 10 ICEE COC(=O)CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1648076095 ARYQHIHXTSSIEX-UHFFFAOYSA-N 436.534 0.525 30 10 ICEE COc1cc2c(cc1OC)CN(CC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CC2 1648790461 JXMCOJQZNYKYFZ-UHFFFAOYSA-N 425.445 0.279 30 10 ICEE N#C[C@]12CN(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1683719705 RAOYGFFRNBYINT-PZJWPPBQSA-N 446.573 0.983 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1690237304 XNEDEIOMICPQNW-WMZOPIPTSA-N 434.541 0.693 30 10 ICEE CCc1nnc(N2CCC(S(=O)(=O)CC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694700602 NMGOURNHEMJEBL-ISLYRVAYSA-N 436.538 0.770 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1705551284 KQOJPLNCTSNVQU-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1705637239 OJWJQFXSDZKMDB-UHFFFAOYSA-N 446.559 0.736 30 10 ICEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710615641 JXHCVPCNIRTZQZ-PLGXQAJASA-N 443.508 0.761 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722365674 NKFYBNZWDGOCFP-SFHVURJKSA-N 425.518 0.672 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722696511 AUHKWEMDMBBXDL-INIZCTEOSA-N 447.565 0.716 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1740642635 YOJROEUOBSHKID-INIZCTEOSA-N 438.454 0.736 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740850476 HKCGCVZXACVTND-LSDHHAIUSA-N 425.555 0.734 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1748965927 XEJGWWHOIUJMKZ-GOSISDBHSA-N 448.549 0.335 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1750969869 HRYSAMMODPXXKQ-CQSZACIVSA-N 429.456 0.714 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760185399 WTGIOXAVMQSCFY-OAHLLOKOSA-N 437.472 0.953 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760272395 ITZDSQCFMMZKKO-SFHVURJKSA-N 425.580 0.798 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1760315977 KWPSIPBNVGGBMC-IMJJTQAJSA-N 440.570 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1760549052 VKVMZCTYRLWCLD-CQSZACIVSA-N 436.542 0.487 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1761290513 ARWYEVTVPDDUSK-GUYCJALGSA-N 446.430 0.726 30 10 ICEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1764650665 AVVZVRRHKYRIEM-WCQYABFASA-N 425.540 0.684 30 10 ICEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771054665 PBNHQIBRXXINPO-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C[C@@H]1CN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1856734781 YPTRQGVSKPQHGU-APWZRJJASA-N 432.546 0.832 30 10 ICEE C=CCNC(=O)NC(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195285724 JCBDMCDHOBNQHT-INCQDFKNSA-N 439.490 0.905 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255595162 HEIGCFAZMLWYMG-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CC(C)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN(C(=O)[C@@H](O)CO)C1 208086922 GOIHKEROJXTYLV-IRXDYDNUSA-N 434.346 0.335 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN4CCCN3CC4)CC2)cc1 590354956 FGIGIEMUIBGTEQ-LJQANCHMSA-N 431.562 0.465 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)c2ccccc2OCC(=O)NC)CC1 604176805 NPPBOTXZDZQFOX-GOSISDBHSA-N 431.537 0.892 30 10 ICEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 608888322 HVXNHRXXIYRSMY-UHFFFAOYSA-N 437.481 0.693 30 10 ICEE O=C(CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccccc1 732464847 BLKSZLRQWQLSQK-FMQUCBEESA-N 426.477 0.479 30 10 ICEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)n2C 732649246 RJGDLHOPZWJYON-INIZCTEOSA-N 444.561 0.955 30 10 ICEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 809889703 JNGLCPJXRRJFJL-CABCVRRESA-N 433.513 0.986 30 10 ICEE N#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1157963518 NJBWPKRDQZUPON-LJQANCHMSA-N 428.514 0.807 30 10 ICEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1194689808 ADHAVRQLELYVDM-INIZCTEOSA-N 427.548 0.083 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1248529250 BBTNBQKJANGUKG-UHFFFAOYSA-N 434.518 0.239 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286469944 PJWNHDFILAXDCE-KRWDZBQOSA-N 429.569 0.866 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2COCCO2)CC1 1286486809 BOOHKLFNYLPUMB-AEFFLSMTSA-N 435.525 0.383 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1 1299142211 HENWEDARSPPMBE-DLBZAZTESA-N 426.516 0.792 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1300466656 ZMBWQRPGTANVIF-MRXNPFEDSA-N 433.509 0.748 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1300496430 RFMOPJQOXXMPSX-ZWKOTPCHSA-N 439.582 0.725 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(C(C)=O)CC2)CC1 1300712098 LTSBJPLRGOYFGJ-SFHVURJKSA-N 443.596 0.922 30 10 ICEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)O1 1303956011 YJCASBURYRXATJ-BZSNNMDCSA-N 437.518 0.832 30 10 ICEE C#CC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1304596636 TZQILOXAVMDPCS-UHFFFAOYSA-N 429.292 0.290 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1358964197 VGEAMPZOBODOTN-JKSUJKDBSA-N 444.579 0.234 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359025991 GFUYNWIOLGHXGI-SFHVURJKSA-N 439.563 0.269 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359040050 GHKXONSCSHOZMO-FUHWJXTLSA-N 430.553 0.933 30 10 ICEE C=CCOC[C@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1448493164 HAGULIKVXHSQBO-MLNJSSBLSA-N 432.539 0.995 30 10 ICEE C#CCC1(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCOCC1 1468647688 SKCXYIDCANISDU-UHFFFAOYSA-N 436.314 0.783 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N[C@H](C)CC)cc2)CC1 1477420821 ACOLKORDTLGNDO-MRXNPFEDSA-N 435.550 0.510 30 10 ICEE CN(Cc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1503492693 GIMZEYJOVMAOHB-STGLLQLASA-N 425.449 0.985 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1507630669 FDAPIHQYHMBPOI-MRXNPFEDSA-N 427.465 0.944 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507725156 PYJPUTHPLAPBGM-OALUTQOASA-N 426.569 0.933 30 10 ICEE C[C@@H]1CSCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1512571171 RHAPMDKOVONUNP-ORIGZDJFSA-N 445.549 0.869 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1538961818 CKBKPOJYPXLXEZ-OAHLLOKOSA-N 430.534 0.928 30 10 ICEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)nn1 1540816792 SJIPBMMTLXVDKG-UHFFFAOYSA-N 431.478 0.583 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1540869474 OIPZDVIZWGVNEC-UHFFFAOYSA-N 447.503 0.864 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1541116835 VXDXQPLKEPPGGV-LSDHHAIUSA-N 437.526 0.876 30 10 ICEE CN(CCN1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554302400 HSLQWINNNQVUAS-VXPUYCOJSA-N 429.525 0.525 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1554503403 DIYPDCZINKIERV-UHFFFAOYSA-N 448.549 0.998 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(F)(F)F)C(=O)C2)s1 1556524773 UVGJNXWEZDXNNH-UHFFFAOYSA-N 425.454 0.988 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1565345793 YLKFCEOKKIOXAV-QGZVFWFLSA-N 448.545 0.571 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1587707342 DSODHYUKZQMIPQ-IAGOWNOFSA-N 437.518 0.698 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588054657 PHZALTNCVJZZPZ-GVDBMIGSSA-N 437.566 0.714 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1593747035 QBDNLZUESBCFQB-INIZCTEOSA-N 425.555 0.832 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1594784008 OCCLZTPCXNUDMF-JYJNAYRXSA-N 440.570 0.728 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1609509119 MRYMAJRZRZIPCY-OHTQGHCMSA-N 445.524 0.946 30 10 ICEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629999037 RGRRMMIGBOYLSW-CVEARBPZSA-N 429.539 0.671 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1631473501 PSGQJOOETCSQPW-OAHLLOKOSA-N 431.559 0.427 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)s1 1631545750 QXSIKDNBSZTGCT-SUMWQHHRSA-N 448.588 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 1632960918 QYWWPIZHQHRHHA-UHFFFAOYSA-N 436.515 0.107 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1689852530 GYNSFRSPWABQTD-STQMWFEESA-N 439.567 0.531 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1689998733 VAKCTCIMTFWTDS-UHFFFAOYSA-N 442.545 0.788 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1690729514 OOYAWMJSKAHEBB-UHFFFAOYSA-N 435.554 0.442 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCOCC1 1705843439 FIEHLIOHNNCWHN-KRWDZBQOSA-N 443.570 0.819 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705914104 GNPOOLFTLZFGSJ-UHHPSXQGSA-N 443.508 0.724 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)C1 1705926144 YTOFKJKBHLDPMR-JKSUJKDBSA-N 443.570 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705936165 KXLSPFFEGFQCPQ-IRXDYDNUSA-N 437.566 0.974 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722360413 HEIFHUJZIOJXTH-INIZCTEOSA-N 445.549 0.351 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722369076 YHBDFHANIBTTCH-BZUAXINKSA-N 444.579 0.232 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722729280 HXWSULQRPSIUPT-FQEVSTJZSA-N 446.533 0.896 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740787272 FYUSUZJMPVTIMW-JKSUJKDBSA-N 440.570 0.682 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741124653 NGSRETFPHZYKRC-ZFDMEJTGSA-N 426.481 0.636 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748717622 DVSUDVZTKPYGIT-JKSUJKDBSA-N 428.580 0.997 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1748928882 AGYOWPKMBLFKJN-WIYYLYMNSA-N 447.561 0.978 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N(C)C)CC1 1748993959 RWAGVVGRAKXEGR-UHFFFAOYSA-N 437.595 0.280 30 10 ICEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1749722869 QROZYFQDWMQHNQ-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1749738524 OLOKLAVXMBDVSV-UHFFFAOYSA-N 439.538 0.391 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1760555613 IYGIMSVMEMLKTF-MRXNPFEDSA-N 441.554 0.416 30 10 ICEE N#Cc1n[nH]c2c1CN(C(=O)Cn1ncn(-c3ccc(Br)cc3)c1=O)CC2 1852758917 RVUQFSWIKZIQJV-UHFFFAOYSA-N 428.250 0.976 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCO4)C(=O)C3)C2)cc1 1855847164 FXDAFFWBTOQXOI-AEFFLSMTSA-N 432.502 0.171 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255694901 VRMPBXDNQDMGEL-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2267460014 HTWNRUCRLXLFNR-GOSISDBHSA-N 439.369 0.923 30 10 ICEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 492782241 GCGVOUGOGMGGME-QGZVFWFLSA-N 442.607 0.846 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC=C)CC1 508470660 CZBZYBHCJJIUNG-UHFFFAOYSA-N 444.561 0.959 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 521003274 BTCGSKLUCZMNHC-UHFFFAOYSA-N 436.457 0.327 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537395184 XHXOODQVSQTWMG-UHFFFAOYSA-N 442.541 0.830 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COCCO3)n2Cc2ccccc2)CC1 549157505 ZRIGCMFXPDSXPK-IBGZPJMESA-N 426.521 0.839 30 10 ICEE C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 568436558 RRBULAOYJDNTHL-HXUWFJFHSA-N 442.453 0.965 30 10 ICEE N#Cc1cc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 796796317 DSJSXYKYLLOMOT-UHFFFAOYSA-N 444.469 0.561 30 10 ICEE O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1 816692992 ZSQUTEOVXBCHOM-HUUCEWRRSA-N 445.501 0.829 30 10 ICEE Cn1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(=O)n(C)c1=O 819985625 LWFHIOMLDBGZHE-UHFFFAOYSA-N 433.490 0.322 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1228032760 OUGZZBCXOXNSSR-OAHLLOKOSA-N 429.543 0.181 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CC3)CC2)c1C#N 1246613323 HSUYEMLOVPLZAI-UHFFFAOYSA-N 437.570 0.682 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1286380016 FZJQGRWJVHMTEB-MRXNPFEDSA-N 445.549 0.231 30 10 ICEE C=CCCOCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1286716320 KGENTIUBUMQDQY-AWEZNQCLSA-N 425.515 0.681 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300495143 DKHOXGZVCXOOLK-XWBFJWKOSA-N 442.607 0.956 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1300989391 APQNGXUBCLZCJV-JKSUJKDBSA-N 426.543 0.800 30 10 ICEE COC(=O)[C@]1(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CCOC1 1453690791 NOCDROLFJDACRD-VGSWGCGISA-N 426.473 0.387 30 10 ICEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1467891119 KNRFCOJTTWAVGN-OAHLLOKOSA-N 445.545 0.676 30 10 ICEE CS(=O)(=O)NC[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1471728141 HLYXDDROCMLCTH-ZBFHGGJFSA-N 433.490 0.161 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccccc3NS(=O)(=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1472036540 WKZFXMAJDPBHQX-HZMBPMFUSA-N 437.421 0.958 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507540424 DXCXCEQHOSQGAO-QZTJIDSGSA-N 429.569 0.801 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1507958330 UIYLSXICZOKFJL-CQSZACIVSA-N 442.542 0.560 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508058990 JYAORLFLVHIMMN-INIZCTEOSA-N 438.554 0.292 30 10 ICEE CC(C)Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509226775 MPEANJBCEFBEBI-JVMRMLDLSA-N 429.525 0.524 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1517026621 YXGDRTQKBRCPCT-FQEVSTJZSA-N 443.533 0.567 30 10 ICEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCOCCCO)cc1 1521102026 MHJVBHTVNQOEBM-PKOBYXMFSA-N 440.504 0.843 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2noc(CC)n2)CC1 1539432119 YEOPNWFEMVBXDH-NRFANRHFSA-N 429.525 0.874 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1540902299 GHDFULNWFMULBC-INIZCTEOSA-N 440.570 0.624 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1558073490 UWBRXUMTFBEPGH-UHFFFAOYSA-N 444.554 0.014 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595405294 HPYBFVDVSUWESA-MRXNPFEDSA-N 440.570 0.538 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)cc1 1595607264 CLOPGKUMYUXWPR-OAHLLOKOSA-N 448.549 0.780 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1625364220 WIVXJPNVNLLMEG-HZPDHXFCSA-N 441.550 0.399 30 10 ICEE CC1(C)OCC(CO)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CO1 1634380654 AZGRWLBPGCTWHM-UHFFFAOYSA-N 437.518 0.589 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)CC1 1662588925 ZTVCSHFZOGPYLU-UHFFFAOYSA-N 445.900 0.712 30 10 ICEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1686921927 VYTVLDLYOKGFTI-AWEZNQCLSA-N 428.536 0.152 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689987736 BLUHKDAXADIYKA-MRXNPFEDSA-N 433.538 0.222 30 10 ICEE CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694688475 WGYYXKFHZMHWRZ-QZQOTICOSA-N 443.552 0.916 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCOC2)c1 1705505072 HYGCCDIZEIFOLO-QFIPXVFZSA-N 433.472 0.943 30 10 ICEE CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711411289 HLPHXPADHOJIOL-ZCXUNETKSA-N 430.513 0.464 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1722295720 LFNAVLCQAXKNCP-BZSNNMDCSA-N 438.598 0.943 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1722296565 RQWUPBHTWNXGRG-NXOAAHMSSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1722359475 NCQJVQCTBYXNAH-HNNXBMFYSA-N 446.924 0.797 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1722360649 BNEZVBFUERHEPI-AWEZNQCLSA-N 446.924 0.797 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722402645 DPHIMYSAXWEWMA-GOSISDBHSA-N 429.569 0.916 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CCO1 1729677993 ABTGHBLYPHPIAY-KRWDZBQOSA-N 430.534 0.884 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740580984 MJJOWPFGXXKVHO-CQSZACIVSA-N 446.599 0.162 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740626571 VUMIVGNCLJSKQB-GHTZIAJQSA-N 447.561 0.678 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(CC)CC)CC1 1740689014 NVOHBHZNBUWFIG-UHFFFAOYSA-N 429.569 0.918 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740813258 AIUIRQIBTHWORX-MRXNPFEDSA-N 435.960 0.896 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740965982 USZYSMBLNZOQOK-KKSFZXQISA-N 434.541 0.583 30 10 ICEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1748766327 NCCZPZZTLZCHTN-HNNXBMFYSA-N 443.895 0.919 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748818327 YXAYCOFHBUSGRQ-IAGOWNOFSA-N 449.577 0.715 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748994045 UPNTUNXOVWYHFD-FQEVSTJZSA-N 437.548 0.514 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749039434 UFSMFSVBHQQFKA-HUUCEWRRSA-N 446.620 0.560 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749829880 ACSKKHLXSBGILC-CVEARBPZSA-N 426.543 0.430 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1760137390 JGJMIXMFXZYRSQ-INIZCTEOSA-N 438.554 0.116 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1760155407 XLMYBXXXWZEDBG-QGZVFWFLSA-N 425.555 0.887 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CCO1 1767711890 CHPUBHLPUUOSQS-FHWLQOOXSA-N 440.504 0.819 30 10 ICEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2cncc(Cl)n2)C1)[C@@H]1CCN(C)C1=O 1857050163 FGHIABCFKZQSMP-LSDHHAIUSA-N 435.912 0.993 30 10 ICEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865716008 OYWIHAAXSSKQNI-HNNXBMFYSA-N 442.472 0.106 30 10 ICEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)CNC(C)=O)cc1 1870147833 JBRCFOKXUKZIHS-UHFFFAOYSA-N 426.481 0.285 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548335 FSRDHQWNYBGEEL-HUUCEWRRSA-N 448.329 0.876 30 10 ICEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(S(C)(=O)=O)ccc21 44360725 KRNKLRSDNAXVQH-YWMAMYRUSA-N 441.556 0.591 30 10 ICEE CS(=O)(=O)O[C@@H]1[C@H](OS(C)(=O)=O)[C@H](OCc2ccccc2)CN2C(=O)OC[C@H]12 139796638 GUNFRRUVPOHSNU-APIJFGDWSA-N 435.476 0.096 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)CC1 468170033 NKKWKTMCXADYTI-UHFFFAOYSA-N 438.506 0.328 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 470300729 ZYTPZXDYGPEPFH-UHFFFAOYSA-N 443.485 0.742 30 10 ICEE CCc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 513924142 OPCKMZPKFLTVSD-CYBMUJFWSA-N 448.487 0.207 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1C[C@@H]1CCCO1 527277614 JYQTUKIZCQTLJF-KRWDZBQOSA-N 449.536 0.832 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C[C@H]1CCCO1 536117324 RCCJDPRXCYEOOG-CYBMUJFWSA-N 444.469 0.255 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)n1 546220483 XVXLLWIDPZKTJO-QGZVFWFLSA-N 436.538 0.273 30 10 ICEE CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)CC1 729668980 HBTBEJGGUZBZKU-UHFFFAOYSA-N 448.552 0.606 30 10 ICEE C#CCN(CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCS(=O)(=O)C1 754645222 YAVHGJNUSQECCR-IAGOWNOFSA-N 426.560 0.770 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767879461 GKAJYWALPTXEBA-UHFFFAOYSA-N 432.571 0.817 30 10 ICEE C#CCN(C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 774042562 HUHWXBGQHRTVHH-OAHLLOKOSA-N 436.515 0.930 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)C1=O 1131131064 FVGHDDIQVPZSGW-DYVFJYSZSA-N 444.492 0.201 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 1168393061 MZDNDMOBLKHCOJ-GOSISDBHSA-N 434.518 0.442 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286389665 OGRSXLRGNGPGDB-KSVNGYGVSA-N 435.550 0.407 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1286430462 HMATXTWHMJESJA-IBGZPJMESA-N 442.545 0.712 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286787484 GQTLBXSKKIJRKR-IERDGZPVSA-N 429.525 0.960 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1286818986 VQCJTFBQPRRAIQ-UHFFFAOYSA-N 434.522 0.412 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300498100 GRUMOSGUTBAUIC-OAHLLOKOSA-N 431.584 0.043 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300671238 FWZIEZTYUJCXEP-KRWDZBQOSA-N 433.534 0.758 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1300706636 QLQKABPJIAYYAL-UHFFFAOYSA-N 435.532 0.249 30 10 ICEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1301367037 JXDXKUQDNZYSLF-QZTJIDSGSA-N 429.569 0.686 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301593959 YXGIFFSHTAUNOX-HXUWFJFHSA-N 447.565 0.599 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301612834 PPRXZJDVYWQBJQ-UONOGXRCSA-N 426.568 0.313 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCOC1 1303863137 MPRBVSDCRCVGGS-RHSMWYFYSA-N 435.554 0.412 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358966730 VSLSIJPXGMRXNX-INIZCTEOSA-N 443.595 0.187 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCOCC2)CC1 1359043261 NUMQQLHJLQZYGP-UHFFFAOYSA-N 426.521 0.791 30 10 ICEE C#CCSCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359057840 KIRXXMMALRJMIC-INIZCTEOSA-N 427.596 0.838 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1359086703 GILBOHYTMVMWLS-UHFFFAOYSA-N 441.330 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359330954 HWIZFXOJIFKPTP-CQSZACIVSA-N 440.551 0.349 30 10 ICEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1 1453842219 UGXHSIRQMNNJOH-UHFFFAOYSA-N 445.335 0.974 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1460116496 CNFGWDRJVKQLKZ-GOSISDBHSA-N 425.532 0.919 30 10 ICEE COC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504674523 ZHZHYDOQLHIKBP-DXQAYGFFSA-N 445.524 0.806 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508071381 ITQINDPEYMYWHV-CYBMUJFWSA-N 435.510 0.097 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOCC1(C)C 1508409040 AHKBTPAXISAMSQ-GJZGRUSLSA-N 427.575 0.595 30 10 ICEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1512579864 GCFWGPYIBWDMHW-MGPUTAFESA-N 446.533 0.750 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1539239127 IAIZULXBRIIWEF-IIBYNOLFSA-N 427.530 0.795 30 10 ICEE N#Cc1ccc(NCCNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)nc1 1540697664 JVSVASPKSOELKM-UHFFFAOYSA-N 429.502 0.941 30 10 ICEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1554361682 RQOHEZWMSUMCRX-XUTLUUPISA-N 446.471 0.622 30 10 ICEE COC(=O)[C@@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1558484417 BPUGPSZEGFXTGU-KRWDZBQOSA-N 435.234 0.788 30 10 ICEE COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccnn1C 1584660103 WNHQNEAUNZRKMQ-SFHVURJKSA-N 445.501 0.723 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1588848237 BCIRUSCHKHYQKZ-IBGZPJMESA-N 443.577 0.301 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCOC2)CC1 1588891825 UHVBBERQLNHXKF-VGOFRKELSA-N 431.537 0.933 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1595602068 DVSMVBXPNDXBIN-IERDGZPVSA-N 434.541 0.727 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H]1c1cnn(C)c1 1632333085 GQSOJLQWEZPNCT-GUDVDZBRSA-N 426.452 0.270 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)c(=O)nc1O 1633550828 ZWOHBGQKBAMEOG-HTAPYJJXSA-N 437.456 0.986 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1644285026 FYNSEBCUSMABJP-CVEARBPZSA-N 428.555 0.634 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1648500030 GCCQDAHUYFKPKY-GVDBMIGSSA-N 445.582 0.538 30 10 ICEE C=CCCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1656973373 BTACJRJUCPXNJF-LIRRHRJNSA-N 439.490 0.926 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(C)(=O)=O)c1 1689872428 YKXKSFHPGSFNCD-MRXNPFEDSA-N 431.518 0.883 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCn2ccnn2)CC1 1690148764 SWJLMVBRYGWBBN-UHFFFAOYSA-N 433.520 0.912 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690723988 FTHPXXNUBCCKBY-ZWKOTPCHSA-N 441.598 0.930 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1705568806 VMFJDXVGSVVEGZ-SJORKVTESA-N 437.566 0.842 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCN(C)C2)C1 1705924127 BGGLNAVPCBALKF-FCEWJHQRSA-N 425.555 0.028 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1705947035 YFKOIDCYKUTDAG-CQSZACIVSA-N 449.624 0.181 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1712640032 SYNZXDYTGOOYRI-BBTUJRGHSA-N 449.531 0.608 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(O)CCC2)n1 1722428299 UDAVTVLMMBFOPD-UHFFFAOYSA-N 441.536 0.912 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1740639099 QRMVRGWMGFPTQI-UHFFFAOYSA-N 431.456 0.526 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1749022252 HOBOPRGBIRORDA-ZIAGYGMSSA-N 438.583 0.725 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749211129 TVCLOFZKZJGOIC-UHFFFAOYSA-N 428.559 0.527 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1749731938 NWALSFGGWNLENO-KBPBESRZSA-N 434.526 0.300 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCC2)C1 1750211327 IVTOQDBEOYPUJU-BBWFWOEESA-N 436.538 0.696 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760191353 FYRKNFUNMNDBDT-UWJYYQICSA-N 449.577 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CC)CC1 1760269299 DWJLJJQOFGAWKV-OXQOHEQNSA-N 437.566 0.307 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1760280770 IVAWKGKTGVQALV-HNNXBMFYSA-N 441.579 0.825 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1767656829 RXLHGOKKRDOGCP-QGZVFWFLSA-N 445.549 0.718 30 10 ICEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769931822 QFMIBKSFBCCJIJ-SIRIWSTISA-N 445.524 0.480 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2267607074 IBXFYLWLHPSBPJ-UHFFFAOYSA-N 445.251 0.645 30 10 ICEE CN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2Cc2ccco2)CC1 254704629 SKUSHOIQNZSSHR-UHFFFAOYSA-N 440.550 0.890 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 431358305 LXJNRSTXTHYIFU-XLIONFOSSA-N 430.553 0.555 30 10 ICEE COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccn(C)n1 470760070 MZBIHJFLPBILLQ-SFHVURJKSA-N 445.501 0.723 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 505701494 XORNJFCEMAXMAJ-HNNXBMFYSA-N 427.530 0.256 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 549641464 OQIVYTUJANIJIX-KRWDZBQOSA-N 443.570 0.819 30 10 ICEE C#CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 729334423 OXDUDFAPCQQRAP-CYBMUJFWSA-N 438.303 0.808 30 10 ICEE N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910274 NZODHNQLIQJAHW-WMZOPIPTSA-N 449.504 0.573 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767883228 YROHBJNERYWWKA-UHFFFAOYSA-N 426.523 0.680 30 10 ICEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 777311011 ZAIPWJVZOTYRKK-KRWDZBQOSA-N 437.543 0.516 30 10 ICEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccn1 1084299644 XCPOQKSKCMEGOF-UHFFFAOYSA-N 426.466 0.471 30 10 ICEE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1141584097 CFDLLVMDDIMSJM-OAHLLOKOSA-N 435.278 0.647 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCN(C)C1 1286286137 UHGRCIKKERRGQP-MGPUTAFESA-N 431.566 0.763 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 1286478416 AHUJYQYCUJZBHY-INIZCTEOSA-N 436.582 0.240 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1287654941 YKDIKBSCISPBRD-LLVKDONJSA-N 445.291 0.888 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1300492204 LWKWUZPXDYGWJT-OAHLLOKOSA-N 426.506 0.452 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300497491 ZAZVDNZUZYTKQI-SJORKVTESA-N 435.550 0.673 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1304912741 QMAJIPQTEWFUAL-AYOQOUSVSA-N 440.504 0.936 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1359049853 XDJGNRIEBJZWQI-WMLDXEAASA-N 429.568 0.250 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 1455114562 DPUVPYUPRDNJQW-OAHLLOKOSA-N 442.950 0.755 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1505083175 WMXWLMZUPFBFFL-ULQDDVLXSA-N 441.554 0.946 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507627658 FKGNNTOTIKRPOU-IRXDYDNUSA-N 446.529 0.996 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)CC1 1507722125 PSPRSOWINZXNRH-HNAYVOBHSA-N 436.538 0.144 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1508073366 WGDCKTBOWUTNKP-OAHLLOKOSA-N 425.493 0.761 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1508122935 HDKAILCIUFMNIZ-CABCVRRESA-N 432.568 0.396 30 10 ICEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1555837464 VQVIBSJODCDBDV-XJKSGUPXSA-N 425.518 0.715 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1595798633 RLJDLLUJMQNGTH-MRXNPFEDSA-N 440.570 0.972 30 10 ICEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1618185333 DMMSMDRWQVWULA-UHFFFAOYSA-N 426.506 0.835 30 10 ICEE C#CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(=O)OC(C)(C)C 1648459470 YUPFWLAFFVEHFX-RDYUPDBUSA-N 442.534 0.872 30 10 ICEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1 1653068422 AIASTLZAUYJFHI-AVBTWRTFSA-N 447.513 0.705 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689978206 OWFGOLSFPZSMKX-QGZVFWFLSA-N 449.577 0.958 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1690675792 FKZLGTVISIVRGR-GOSISDBHSA-N 437.504 0.552 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1690680587 WGZLNVBOKDZODQ-ZWKOTPCHSA-N 440.504 0.794 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690742136 HONOIOXKVVUPHS-HOCLYGCPSA-N 447.565 0.915 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1=O 1696886063 WOQGNRMEFBIIIN-QFIPXVFZSA-N 437.504 0.590 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705637094 JEAXIBOCOPKDLJ-NRFANRHFSA-N 429.546 0.558 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705725791 QWCJCBGLDJACQY-AWEZNQCLSA-N 431.584 0.617 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722366483 QIFXEENMUHRBMI-SFHVURJKSA-N 442.545 0.417 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722692772 WIBSHNNTIAQDOF-HZPDHXFCSA-N 431.541 0.746 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC2)n1 1740689478 XIDWOIVPEGFHPB-AEFFLSMTSA-N 427.509 0.748 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1740788287 RCLYUNIPQGLWJB-HNNXBMFYSA-N 443.574 0.333 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740962597 ISDNLJAMSGHLJK-OAHLLOKOSA-N 438.579 0.751 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC)CC1 1740963295 GXTFSXKIFMLPRU-UHFFFAOYSA-N 427.509 0.929 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1749020456 SYYZXNIBNVNGDI-UHFFFAOYSA-N 448.593 0.860 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1OC 1749053190 CNYFYRJMNWOIAA-IUVQAAGXSA-N 425.555 0.932 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749665722 AUCOGOYXQYWDQQ-UHFFFAOYSA-N 425.493 0.999 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)CC1 1760262231 VYQSXUMRMIBEBL-KRWDZBQOSA-N 429.550 0.277 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)CC1 1760262235 VYQSXUMRMIBEBL-QGZVFWFLSA-N 429.550 0.277 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1769550896 DOQHAJKLAGJJJA-UGKGYDQZSA-N 442.520 0.946 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1770342428 CHRRDQJKZZWZAM-CVEARBPZSA-N 435.554 0.783 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CCC)CC3)CC2=O)CC1=O 1857049805 XNVXBIFXVNXWJV-IRXDYDNUSA-N 425.551 0.848 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)CC1 1890178220 SMAUXCTYQOBFAB-HXUWFJFHSA-N 444.580 0.577 30 10 ICEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)c1 1891704565 NBVZLOZDXHVFTN-UHFFFAOYSA-N 448.545 0.599 30 10 ICEE N#CCC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1892339535 MVYGPMUHNJUVHQ-UHFFFAOYSA-N 434.518 0.590 30 10 ICEE CON(CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247818073 XUIRYBYPBMZGOH-UHFFFAOYSA-N 425.295 0.643 30 10 ICEE COc1ccc(O)c(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)c1 105376851 WMOZKWHBKWRURN-CNHKJKLMSA-N 443.449 0.390 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 480864205 HSMOFKSQJVEWDB-SFHVURJKSA-N 427.548 0.933 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)CC1 506269123 HUQYNVGSCLBDHK-UHFFFAOYSA-N 430.534 0.814 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 541253225 VHXJDJRZORCIKQ-QGZVFWFLSA-N 431.518 0.805 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cn1 730143980 GKKFLILDVVGVST-HNNXBMFYSA-N 435.554 0.181 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)[C@H]1CCS(=O)(=O)C1 774043161 KLYYOBKAWLRFGK-AWEZNQCLSA-N 443.547 0.990 30 10 ICEE C#CCN(C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)[C@H]1CCS(=O)(=O)C1 918755996 JHAUKCHRNFHSFC-HNNXBMFYSA-N 449.554 0.984 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 1136331723 ITCMNZVNPGZWPG-DFOAXYEYSA-N 437.518 0.631 30 10 ICEE 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)OC 1141998068 HGWIREACQGBJHR-KBXIAJHMSA-N 428.507 0.338 30 10 ICEE CCOC(=O)C1([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1179532570 VNLJJYSQKQBHKV-AWEZNQCLSA-N 437.518 0.980 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1230268767 AAWNUGNXSNOYTL-KSSFIOAISA-N 434.518 0.788 30 10 ICEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286352333 ZVOURVFFCRUJMJ-CQSZACIVSA-N 428.443 0.708 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1286363503 TZGGHRFKTZXHIA-GOSISDBHSA-N 443.595 0.378 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(CC(N)=O)CC1 1286821883 DBRRLXMDYRNGDR-UHFFFAOYSA-N 432.550 0.957 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1300465035 JPSXNPKTYBCRCT-SFHVURJKSA-N 449.533 0.746 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1315064361 FJNQKGYGOZPARH-UHFFFAOYSA-N 429.506 0.177 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)CC1 1359035795 DVOHBPLJGDNPEZ-KRWDZBQOSA-N 434.522 0.008 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)C1 1359311487 BPYYTQRYHIJCMO-MRXNPFEDSA-N 441.492 0.566 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCOC1 1359335054 YPXZXCDFEKSVEC-MRXNPFEDSA-N 425.555 0.864 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1463851041 GCNBQZPABJKUNG-SFHVURJKSA-N 438.463 0.344 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1464844311 CFZYWHXKLXQQGH-QFIPXVFZSA-N 436.553 0.422 30 10 ICEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1479138836 ZELFEDGAQXXASK-QKNQBKEWSA-N 432.546 0.776 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)N2CCOCC2)CC1 1507736383 KATKNEHATXHGJN-UHFFFAOYSA-N 439.520 0.108 30 10 ICEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1S(C)(=O)=O 1513873824 YVQTUOJAMPWJGI-OAHLLOKOSA-N 431.522 0.799 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1539368982 GETMKXPDCNBCDT-BBWFWOEESA-N 425.555 0.743 30 10 ICEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1539530047 AGWLEOURGMXOCI-ZDUSSCGKSA-N 425.540 0.455 30 10 ICEE CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1541083625 OSGDPSWZGLWWHP-AWEZNQCLSA-N 433.538 0.923 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588924039 URXFAHFVIMKINN-BTYIYWSLSA-N 427.509 0.184 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595537157 MRTZUSRWQHBSPL-HOTGVXAUSA-N 439.524 0.427 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1595550678 HCZQYQBVMISDAS-OAHLLOKOSA-N 442.542 0.224 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1595805998 ZCFMYLYYIUGAEX-CABCVRRESA-N 447.583 0.201 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O 1598198094 CRXNGJHCPNRNNH-LBPRGKRZSA-N 434.474 0.921 30 10 ICEE CC(=O)N[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(Br)c1 1648790712 RKBZUBZZEYBZDM-HNNXBMFYSA-N 446.261 0.844 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1689853679 XFKCLVIHMQBXAB-GUYCJALGSA-N 436.538 0.916 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1705598683 OUEIKPNVLQOTQQ-PXNSSMCTSA-N 437.566 0.481 30 10 ICEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OCC)CCOC1 1705908055 GOGAVQKXFSXQJJ-NRFANRHFSA-N 428.493 0.896 30 10 ICEE CCc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709062336 KHRWSKVUQDCKFW-BSMWSGRKSA-N 429.525 0.524 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1722479422 ICYGOPDZAURPDW-WDEREUQCSA-N 435.348 0.499 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1729740555 AQYHBDYBFAFAKA-INIZCTEOSA-N 432.506 0.755 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740623097 ODLOVLOAINHEDP-CVEARBPZSA-N 426.564 0.750 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)C2CC2)CC1 1740708121 CJRZTMMJKSSZSV-SFHVURJKSA-N 428.537 0.791 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1740953831 SBGYXVZHQDARNS-UHFFFAOYSA-N 448.549 0.723 30 10 ICEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1745679040 NTUKRZDZNAFRPH-WBVHZDCISA-N 439.586 0.739 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1760190293 VMPQXNGGLJFWSS-INIZCTEOSA-N 446.533 0.753 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1760205428 AZRDLULMUNGFKN-HSZRJFAPSA-N 434.548 0.592 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760396638 GYQJNEMIUWZDMJ-DNVCBOLYSA-N 428.555 0.954 30 10 ICEE CCNC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1767240355 ULVJZKADYZCBPK-HNENSFHCSA-N 444.540 0.855 30 10 ICEE C#CCCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286052083 UCNRNQDYSMGKRJ-GOSISDBHSA-N 437.518 0.425 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2303951045 QNDKTILVUOZLAP-CHWSQXEVSA-N 426.319 0.785 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 481789815 QFONLZXOZIYIOM-MJGOQNOKSA-N 433.578 0.854 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 495791035 YBFGCDFREQAKMX-WMZOPIPTSA-N 448.545 0.855 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCN1CCOCC1 505662011 NVYMLIZALKRVBF-OAHLLOKOSA-N 443.573 0.402 30 10 ICEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 612819538 FJYSQQVABBTVOY-UHFFFAOYSA-N 444.517 0.275 30 10 ICEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 760628263 QPEIFDVFQCBFPK-INIZCTEOSA-N 430.486 0.801 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1CCOC 763298653 BJJUXIKBQWRWEZ-UHFFFAOYSA-N 440.294 0.707 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 807577577 CFQKOJKTKFUYCX-AEFFLSMTSA-N 449.529 0.637 30 10 ICEE C#CCN(C(=O)NCc1nnc2n1CCNC2=O)C1CCN(C(=O)OC(C)(C)C)CC1 1246804629 USXCHCFQWDPBMP-UHFFFAOYSA-N 431.497 0.566 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286600080 JDQLICRKDFZDLU-RDTXWAMCSA-N 426.543 0.340 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286787798 JPBMJRBUXCPOQM-UHOSZYNNSA-N 445.568 0.073 30 10 ICEE C#CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1291929973 WQQWNFZJLMOZFQ-CABCVRRESA-N 448.563 0.060 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300486761 AQSYNVDMFJXDNB-OAHLLOKOSA-N 439.563 0.345 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300764625 YPUFEJCQWZBWLD-MDZRGWNJSA-N 440.591 0.931 30 10 ICEE CNC(=O)NC[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1300951326 RGGADYLOAHPSCE-HNNXBMFYSA-N 436.310 0.913 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1 1358876736 PJSJBWNRMFVPKW-IIBYNOLFSA-N 446.577 0.720 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359021681 XKERLPAYEXAFPZ-GOSISDBHSA-N 439.925 0.629 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2COCCO2)c1 1539042515 HFZBBNJJIDTGKE-ROUUACIJSA-N 438.488 0.701 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539161556 ILZRDGYMBOPSAE-MRXNPFEDSA-N 435.492 0.485 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539222833 XIJDBWYUYHGXDP-SJORKVTESA-N 435.550 0.673 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539704631 GDZJALKYTFTJTD-CVEARBPZSA-N 438.554 0.388 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1540869712 UWVJZMBYNFDMEZ-HZPDHXFCSA-N 445.568 0.910 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540872712 YIGFNZMAYSTRJB-CXAGYDPISA-N 449.458 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1540901514 GFDBZZLKVAZYMF-UHFFFAOYSA-N 433.538 0.711 30 10 ICEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1545786950 AODDMCZLRXNRKE-UHFFFAOYSA-N 439.472 0.577 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 1556585858 GWKZQYJQFBBYDP-OAHLLOKOSA-N 437.522 0.733 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 1588811589 KYBVMJGQEOFBAY-QGZVFWFLSA-N 432.550 0.783 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1595824227 ZGMLPYXXUXMOQL-UHFFFAOYSA-N 449.581 0.799 30 10 ICEE CO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619503438 MOJNAIQLVQASNS-DNTCVELPSA-N 443.508 0.542 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1620154735 GQBPOGHQIFXTFI-QGZVFWFLSA-N 431.518 0.982 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1622506153 DGFUXMMMWKMTHG-KRWDZBQOSA-N 446.547 0.884 30 10 ICEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1628036703 WJCHNISFBDIVOO-HUUCEWRRSA-N 431.555 0.998 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)s1 1640791984 GPCLPJIFJXGIOS-KBXCAEBGSA-N 429.564 0.097 30 10 ICEE C=CCCC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OC 1645503007 JWQPURXVHFNVCN-SNVBAGLBSA-N 426.271 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1665690880 XLDMPABJGSSGAW-UHFFFAOYSA-N 432.506 0.102 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1689991651 AZHWDXABQMZFEK-CABCVRRESA-N 436.538 0.092 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1690077397 NXWFZVWLDIWFSP-KRWDZBQOSA-N 425.555 0.887 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCN(C)C2)n1 1690109370 PCPKPTLVKWDCND-QFIPXVFZSA-N 438.536 0.823 30 10 ICEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)CC1 1705641415 DMGHQFWZAJGVSF-UHFFFAOYSA-N 441.561 0.655 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1705895372 DQQLTPQXZVUXCC-ZDUSSCGKSA-N 444.492 0.585 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1705901624 QVWPMEXINLCCSK-OAHLLOKOSA-N 436.476 0.611 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1710467962 PZGNTHRKRJQDAF-OALUTQOASA-N 440.570 1.000 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710701784 CIEHNXNBGMQFPC-UFOSLELVSA-N 431.497 0.303 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722367311 VMZCMVLKIBEIGS-YMGMXPECSA-N 435.575 0.659 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCNS(C)(=O)=O 1726645356 OFZWIVYSJVUDRP-CQSZACIVSA-N 445.553 0.472 30 10 ICEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1749372605 JZBIMYOENHJGDN-QGZVFWFLSA-N 442.499 0.978 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760556483 FJFMJYFIJIWLDA-MSOLQXFVSA-N 444.561 0.827 30 10 ICEE CCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764873438 SUCNHOBVPOWRGC-MVZUJROASA-N 427.509 0.958 30 10 ICEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(C(N)=O)CC2)cc1=O 1870562685 RGDYCKYZGVOJOX-UHFFFAOYSA-N 432.502 0.253 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1 2255605745 NTYCCWCQJPILPG-MRXNPFEDSA-N 431.224 0.397 30 10 ICEE Cn1nc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255623565 OUVQYZLGVXVJQG-KBPBESRZSA-N 436.318 0.741 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 579499124 AYWIILWQISIFNV-CVEARBPZSA-N 440.570 0.540 30 10 ICEE O=C1/C(=C/c2ccc(O)c(O)c2)Oc2c1ccc(O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2O 584578180 UBWXFKAQTFNVSG-FHCOZFOGSA-N 446.408 0.262 30 10 ICEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 679755368 QOPLVCGCDYQNPE-UHFFFAOYSA-N 438.553 0.899 30 10 ICEE C#CCN(CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C)[C@@H]1CCS(=O)(=O)C1 731213674 NDSPZJUQTLTFIO-APWZRJJASA-N 431.514 0.932 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CN1CCC[C@@H]1CO 781936821 HBRQDODMKIMAFI-PNBGARPFSA-N 427.505 0.969 30 10 ICEE CN1CCn2ncc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c2S1(=O)=O 1135762862 TYFAGBNHZPJCPB-QGZVFWFLSA-N 432.481 0.679 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)C2)c(=O)nc1O 1181000856 RKYATPAZHVDERD-NVXWUHKLSA-N 441.419 0.953 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1286408087 BLRTWNLXRLIBGB-UHFFFAOYSA-N 429.484 0.791 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC1 1288861581 BHALYTJYSJGQEP-UONOGXRCSA-N 445.553 0.675 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1300537877 KXCKUGLJLKISQM-KRWDZBQOSA-N 435.550 0.379 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1301296482 HUKVXXFTBNNPJL-MRXNPFEDSA-N 440.570 0.636 30 10 ICEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301462654 BNBZDVJMCZSPQP-UHFFFAOYSA-N 445.549 0.327 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1301479125 UNAHYVVPGYAWCD-CABCVRRESA-N 449.537 0.243 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301509224 CULAHFPHYOTCBO-NRFANRHFSA-N 431.541 0.004 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1314557476 GPEDVANOFQBGKG-UHFFFAOYSA-N 447.521 0.644 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)[C@H]1CCS(=O)(=O)C1 1318860563 SXBYDNRXFXYJSU-ZDUSSCGKSA-N 441.462 0.445 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(C(=O)N2CCOCC2)c1 1320305609 BIFAADWNNYSCOE-HNENSFHCSA-N 427.461 0.485 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358919868 MKXYNGFNSATKIQ-MRXNPFEDSA-N 439.586 0.886 30 10 ICEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1358959289 GDFMDPZLEQLFEH-QGZVFWFLSA-N 426.506 0.958 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961132 SCMYOQBLGYZJCP-INIZCTEOSA-N 431.518 0.508 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507751410 NXISJAIOIVFVBY-HOCLYGCPSA-N 425.580 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508141119 SUMDJUBVEXTULM-INIZCTEOSA-N 435.554 0.632 30 10 ICEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517604361 SVUJTZIZCSRIAU-MRXNPFEDSA-N 427.513 0.506 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1539264946 ADXKCWRXTXSQDT-HNNXBMFYSA-N 427.477 0.729 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1583812080 RBVASHZVTFXCNZ-LJQANCHMSA-N 430.486 0.987 30 10 ICEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)C1CCOCC1 1585148821 KBRLCNWUVMBTDG-MSOLQXFVSA-N 436.530 0.773 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588055791 ZFHPVXWCGJODML-JKSUJKDBSA-N 433.538 0.459 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595576900 BEJSJLHLEDZYBE-MRXNPFEDSA-N 444.517 0.654 30 10 ICEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 1611084036 AQCALYPZUOXOCT-UHOSZYNNSA-N 437.518 0.914 30 10 ICEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnnn1C 1619899754 HAYXKRKXIHCHSZ-SFHVURJKSA-N 435.492 0.931 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034215 JSMNAFQRVVIQPT-HKUYNNGSSA-N 448.545 0.518 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1632721958 QEFWYVICVYMJGG-SJKOYZFVSA-N 430.479 0.589 30 10 ICEE N#C[C@]12CN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1648156114 WBUFZORXCXRUJJ-RMLUDKJBSA-N 442.366 0.842 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 1678188968 DGIPYPHJPJGEKX-OAHLLOKOSA-N 436.534 0.704 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2C2CC2)CC1 1690112481 YQRWNHAZJFZQGW-PKOBYXMFSA-N 449.625 0.660 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)CC1 1690137297 TWRFRSFIQOGUJW-AWEZNQCLSA-N 449.537 0.199 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1 1690527975 VQNCILXHOVCJNA-CQSZACIVSA-N 442.567 0.884 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690659062 IOOLWJYWCGWJAC-OAHLLOKOSA-N 440.570 0.512 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)CC1 1705644590 WIJOQNAVRRWUEY-HKBQPEDESA-N 448.593 0.683 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1722389577 JWGDKGOXYGELOL-KUNJGFBQSA-N 427.596 0.898 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1730930478 NPXAAFOMQWQEBD-LLDVTBCESA-N 427.527 0.290 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740567907 XMCMZVDDEJXIBU-PXNSSMCTSA-N 438.598 0.993 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740624660 JEBHWPODLJSBFC-WIYYLYMNSA-N 445.545 0.696 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740957489 PKWFWMLQUZILAZ-UHFFFAOYSA-N 448.535 0.826 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740991296 SIGDEZOIZHJSEP-UHFFFAOYSA-N 436.582 0.501 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1747433548 YROYNTOFQZFKFO-UHFFFAOYSA-N 425.559 0.876 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1748949564 DREGRCTTWPGEEO-FXAWDEMLSA-N 440.566 0.984 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1748962593 LXECJYNIGSLZAF-FUHIMQAGSA-N 438.550 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)CCOC)CC1 1749010896 RWDZEZTURJXWDI-UHFFFAOYSA-N 425.537 0.884 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750009530 VHIDUKDISCSTBG-OAGGEKHMSA-N 442.542 0.012 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191106 ASHSRWDJEBZCPJ-GOSISDBHSA-N 448.593 0.513 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1760201685 IEKHXPLGEROMAE-DEOSSOPVSA-N 445.527 0.814 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OCCOC)CCOCC2)CC1 1760260051 KQLZXMAGSXBOLN-SFHVURJKSA-N 446.552 0.197 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760555245 AOYDDMJBJKVPQA-ZWKOTPCHSA-N 439.582 0.541 30 10 ICEE CCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764815060 IHWFNSDINBQGKW-ZBBYCGENSA-N 429.525 0.525 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1771369630 POFUNLZVDOQJMO-MRXNPFEDSA-N 446.537 0.272 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C(=O)C2)C1 1856845588 IKKVVPBSMWDFHJ-HNNXBMFYSA-N 444.435 0.917 30 10 ICEE Cc1ccc(C)c(OCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)c1 1856918754 GACFIVJYNLWHBV-QGZVFWFLSA-N 434.518 0.281 30 10 ICEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc21 1892027363 QVKSOLXNLNRSRE-UHFFFAOYSA-N 448.501 0.822 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2320441160 NPALXMNAUIMNSQ-MRXNPFEDSA-N 430.314 0.812 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 498955325 GQQBRYHKTBIAHX-VIYSVWJJSA-N 426.583 0.081 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC)CC1 506273068 SANBVGGHQUSQIC-UHFFFAOYSA-N 442.520 0.700 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 514648408 RKVHZHSTFYJQDN-UHFFFAOYSA-N 442.516 0.163 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(F)c1 586850103 FYNQLKMXEZFUHF-UHFFFAOYSA-N 438.463 0.564 30 10 ICEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)cn1 726960805 CURYMKYLHJYUOU-UHFFFAOYSA-N 427.449 0.910 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@H](NS(C)(=O)=O)C3)nc12 735073066 LATLHDGKLKKUIY-ZDUSSCGKSA-N 434.547 0.947 30 10 ICEE C#CCN(C(=O)NCCCCN1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 774194169 RGONJKVQYQJMJI-SFHVURJKSA-N 434.566 0.211 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1F 802288739 VTOHNFFNVXRASV-UHFFFAOYSA-N 445.538 0.930 30 10 ICEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1136317191 GLUJGSGAIKDOGL-OKZBNKHCSA-N 437.543 0.323 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 1152967862 SMJIEMRRBMFDFT-OAHLLOKOSA-N 434.547 0.272 30 10 ICEE C#C[C@@H]1COCCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1195029494 XJBZEDVTPMLXNO-GOSISDBHSA-N 439.516 0.902 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286385281 MEJGZHHOYXPGHV-IKGGRYGDSA-N 442.538 0.044 30 10 ICEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1300413837 ANHUNCOZYKGNEE-UHFFFAOYSA-N 437.371 0.858 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1300631559 SNAIPNTYHWTZLH-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE CS(=O)(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1316344694 UCKBGVUTLCZKGH-INIZCTEOSA-N 432.506 0.927 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358927960 PETAWQXJCWRMOP-MSOLQXFVSA-N 427.553 0.776 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)COCCO2)CC1 1359040458 VRRDRQBVRVIWGY-NRFANRHFSA-N 432.525 0.188 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359359737 ZKGWDCJPOQQVDB-UDJKBAMHSA-N 427.509 0.987 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 1470194672 YEOWVMUCIOMRSS-CVEARBPZSA-N 433.534 0.148 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508115727 PJRNOUJATKOJCB-QLFBSQMISA-N 447.583 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1508145597 NFRZQCSOFZSSIB-GJZGRUSLSA-N 432.568 0.254 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)NCC)CCC2)CC1 1539427610 DXCCLHJQQISVNW-UHFFFAOYSA-N 427.553 0.576 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CC2)CC1 1539475358 CSCMHTWCYQCBLK-UHFFFAOYSA-N 442.545 0.883 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)C1 1540884637 SGFHVTGAJHLBLX-XMSQKQJNSA-N 449.552 0.960 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1540965537 DQOHVQFNFUBDNT-HNNXBMFYSA-N 432.506 0.752 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1588129168 YLFBPGNMXBRDBL-HNNXBMFYSA-N 429.502 0.903 30 10 ICEE COCCn1nnc2c1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1636330224 KJTDSTUDDQJHKM-INIZCTEOSA-N 437.460 0.586 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 1637382443 KAXGEQVUCPTZRX-RDTXWAMCSA-N 431.518 0.979 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CCC2)S(=O)(=O)CC1 1638138126 CSXYGNXHVKSTEO-UHFFFAOYSA-N 425.532 0.685 30 10 ICEE Cn1cc(C[C@@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1638403979 FRIORMRYZBKTPU-SFHVURJKSA-N 431.518 0.412 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F)c1cc[nH]n1 1638891804 AWZQWKSVUGTAKL-LLVKDONJSA-N 433.387 0.753 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc3nc(C(F)(F)F)n(C)c23)CC1 1650849239 ZJSQILUJTBTVTI-UHFFFAOYSA-N 430.412 0.213 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)n(Cc2ccco2)c1C 1655236930 RTMVHXOPYVYBOH-INIZCTEOSA-N 449.533 0.806 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 1663863619 IBJKRDJZZHVRJH-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1698435008 UHDACXKGISWKNU-CJNGLKHVSA-N 432.547 0.806 30 10 ICEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOC2=O)CCO1 1712886037 GPWWQXIXYQXUFE-AWEZNQCLSA-N 445.505 0.841 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1722389925 NWNHEODVQQVUTD-HNNXBMFYSA-N 432.554 0.746 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nnc(C)s2)CC1 1722437365 MBNIKAFRFDZBJP-INIZCTEOSA-N 449.606 0.728 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722461740 PSUKSFKGWWLFTR-GJZGRUSLSA-N 445.636 0.919 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740548501 GTRIURVCTMWNAW-ZUOKHONESA-N 442.501 0.601 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740617740 WPFUTMKUVDYBHK-OXQOHEQNSA-N 440.566 0.716 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1740622343 XPCWQKCTOQVZBA-FGTMMUONSA-N 431.518 0.507 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740626202 KHYBRMGRVMQPAJ-CVEARBPZSA-N 437.566 0.571 30 10 ICEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740695727 BTUHCJCFAWZKEC-UHFFFAOYSA-N 449.581 0.730 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2n[nH]c(C)n2)CC1 1740705374 GMPYCOQFLMNINH-KRWDZBQOSA-N 426.525 0.807 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740960497 UABSYVHPQMBLFV-HOTGVXAUSA-N 447.565 0.600 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748812705 ZDXDIFWXANHJPA-SJLPKXTDSA-N 447.565 0.026 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748825048 VTXLCFVADBTNAV-IAGOWNOFSA-N 437.566 0.919 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)NC 1748940891 SHYKWZHRVKFLOA-UHFFFAOYSA-N 436.513 0.744 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 1748971203 HKLKCDJALXGUTQ-UHFFFAOYSA-N 449.559 0.976 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1750516983 CMNFEYQODXZYTR-ZIAGYGMSSA-N 445.567 0.122 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1760116960 LTHAYIYWIUULPD-GJZGRUSLSA-N 440.570 0.231 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCS(C)(=O)=O 1760173407 ULTKCWIUEYFPGT-UHFFFAOYSA-N 439.563 0.700 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760183326 ASCUUHMOBIIBBT-NQIIRXRSSA-N 429.546 0.638 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760515258 UIAAZJDSOSOEEE-CQSZACIVSA-N 430.469 0.086 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763202535 IBUPKXWWWIDBSF-IENXAOORSA-N 436.476 0.581 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1Cc1ccc(C#N)o1 1764183100 DQBVNWJLJHZDCO-AWEZNQCLSA-N 426.481 0.923 30 10 ICEE CCc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764899828 LYYHTHOHLLGQFS-HNENSFHCSA-N 442.524 0.705 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1910910871 ADRYHQDWNIEGPH-APIJFGDWSA-N 440.497 0.299 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2081007535 ACDMJVXKPLTAOK-KARBZBNUSA-N 438.330 0.878 30 10 ICEE 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 2213501042 UQIXGLWNYOGQFU-XUWVNRHRSA-N 441.525 0.750 30 10 ICEE COC(C/N=C(\O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)OC 15937073 NAYKPIMTBTTXGF-UHFFFAOYSA-N 439.490 0.483 30 10 ICEE CC1(C)OB(c2cnc(N(CC3CCN(C(=O)[C@H](O)CO)CC3)C3CC3)nc2)OC1(C)C 204876523 FCYBTUUOLNXZIK-GOSISDBHSA-N 446.357 0.336 30 10 ICEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 503640925 AYEYATSPCBAESE-UHFFFAOYSA-N 429.502 0.543 30 10 ICEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)C[C@@H](C)O1 610775970 AJHRYVSKSQONHX-ZIAGYGMSSA-N 442.451 0.785 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#CCO)c1 703975752 YMZDWDMIQNROLV-UHFFFAOYSA-N 427.482 0.911 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C3CC3)c2=O)cn1 735069698 ZJOKJRAFNYSWNL-UHFFFAOYSA-N 440.573 0.518 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 745494830 BSYUQEVJWKUPDJ-DOMZBBRYSA-N 445.501 0.894 30 10 ICEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 782245344 OZOGWGDUJFAWGS-QGZVFWFLSA-N 425.466 0.667 30 10 ICEE C#CC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C(=O)OC 1141995467 QPADVTCEWTVRSY-HUUCEWRRSA-N 428.894 0.554 30 10 ICEE C#CCN(C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCS(=O)(=O)C1 1231210732 JZOUZINMMRJVBK-HZPDHXFCSA-N 441.550 0.987 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1286450005 BLEBXRRXMKIFHK-AWEZNQCLSA-N 426.543 0.826 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1300654458 XOWOJXUENMJXCS-WBVHZDCISA-N 433.534 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCOC2=O)CC1 1300711279 WDZNSZKSWFLKGZ-ROUUACIJSA-N 432.525 0.600 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1300724624 AFKULTKMCCWHQX-LJQANCHMSA-N 438.532 0.803 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1301196633 GNTGQSWHFDGJOY-CYBMUJFWSA-N 434.588 0.373 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301481757 OZTZKNIIZIBFDE-KUHUBIRLSA-N 442.586 0.832 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)C1 1301586871 PIASYTHSUPGGRI-UHFFFAOYSA-N 429.506 0.054 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)CC1 1302923994 HHZPBOXKUHACFU-SFHVURJKSA-N 432.546 0.604 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC(=O)N1C 1305147379 DBSIGLNSTGSORY-CJNGLKHVSA-N 436.476 0.472 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 1309228589 NKSPVAXHTCWKRJ-UHFFFAOYSA-N 442.925 0.964 30 10 ICEE CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1313770635 GOUQFHJBKPCWOZ-UHHPSXQGSA-N 445.524 0.948 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1314629713 SBCCTSXIQUAPAV-OKZBNKHCSA-N 431.541 0.801 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1316529937 CMQSTSDBKLFYIQ-JXFKEZNVSA-N 446.508 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnnn2C)CC1 1359041117 NWJWIOKUBUOBLK-OAHLLOKOSA-N 430.513 0.145 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359126249 KCNRZIDMJQNMIG-JYJNAYRXSA-N 440.570 0.728 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359303363 LLUMWTGKNXXGOP-QGZVFWFLSA-N 428.493 0.153 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2=O)cc1 1447683612 BMNLTUDMOUOFOF-OAHLLOKOSA-N 428.474 0.167 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)COc1cccc(Br)c1C#N 1461960852 JHXZNSAHOBWJTI-LLVKDONJSA-N 432.296 0.476 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCOC2=O)CC1 1466302302 IWPSJUOWCYFHCV-MRXNPFEDSA-N 434.518 0.401 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1466344322 HXWUHWUSHWHDGK-IAGOWNOFSA-N 443.566 0.946 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631985 WEHYSLNWZFVTQZ-HNNXBMFYSA-N 431.522 0.230 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1507659849 GTFLCBSXPJTNLX-KRWDZBQOSA-N 436.582 0.462 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)CC1 1507735722 FXQXVEIHQMUXMX-QFIPXVFZSA-N 446.552 0.373 30 10 ICEE COCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519116949 QMQSAMOECUCMRN-UHFFFAOYSA-N 437.508 0.792 30 10 ICEE COCc1nnc2n1CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1527750710 MAUUAMLVAGCEAV-UHFFFAOYSA-N 444.517 0.739 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCOCC2)C1=O 1536556018 CJPBDEXSULFTPG-UHFFFAOYSA-N 438.481 0.496 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1539266811 SNPXIXQDYPKJFA-FHWLQOOXSA-N 449.577 0.889 30 10 ICEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1540816870 VPHIMYHAIBHNOO-HUUCEWRRSA-N 431.555 0.998 30 10 ICEE N#Cc1cn(C2CN(C(=O)Cc3cc4c(cc3Br)OCCO4)C2)c(=O)nc1O 1558805923 YLRSBYQBGOZCKL-UHFFFAOYSA-N 447.245 0.980 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588050950 YHIXHWDCNWGTQH-GDBMZVCRSA-N 443.533 0.277 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C[C@H]1CS(=O)(=O)C2 1618171690 IGAVXTRZSIKSRG-MGPLVRAMSA-N 426.292 0.956 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1633522529 KWBPUGZJGIRLMM-UHFFFAOYSA-N 428.515 0.470 30 10 ICEE C[C@]12CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@]1(C)C(=O)NC2=O 1635369413 UNYBEELHWBHBBK-NHCUHLMSSA-N 446.529 0.797 30 10 ICEE COC(=O)[C@@H](NCCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1641575993 PEHMTSIYJHCMCI-KDOFPFPSSA-N 438.550 0.797 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(Cc2cccnc2)c2ccccc2)CC1 1644281458 BVARAXQFZRZELP-UHFFFAOYSA-N 427.530 0.700 30 10 ICEE N#Cc1cc2c(n(CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c1=O)CCC2 1653108229 DFNWOTVBXOICJZ-UHFFFAOYSA-N 444.488 0.881 30 10 ICEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(C(=O)CC#N)CC1 1653646376 SBBUTIDPNYCYEF-AWEZNQCLSA-N 437.522 0.330 30 10 ICEE N#CCc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1671984023 FYECGIXWHNFYMC-MRXNPFEDSA-N 426.520 0.419 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689929961 IDLVLQAFJRTRKW-HNNXBMFYSA-N 429.568 0.065 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1690033122 QSSINODRKIYQJJ-KRWDZBQOSA-N 436.582 0.462 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1690122488 SCCLOASFGQIVEJ-UHFFFAOYSA-N 434.504 0.827 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1690675191 RPSRAHHVKPFPIO-UHFFFAOYSA-N 431.541 0.397 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705581144 TVFMSXFSMVNJNU-SFHVURJKSA-N 425.514 0.895 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1705895371 DQQLTPQXZVUXCC-CYBMUJFWSA-N 444.492 0.585 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1740531737 RUYSERHZAQCDDW-RMYFCYLKSA-N 434.460 0.910 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1740990577 CENXAIROUNXSIE-INIZCTEOSA-N 438.554 0.183 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749210251 FIQWYRNPKTXKJJ-UHFFFAOYSA-N 449.556 0.583 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751983201 NYMAOXUUBXCDLX-YKHTYXQRSA-N 443.508 0.365 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189341 HYNTWKRCHWFMFK-SFHVURJKSA-N 444.561 0.759 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCN(C)C2)n1 1760251772 GIPALNMOTXUREG-XMSQKQJNSA-N 443.552 0.331 30 10 ICEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1770623566 WUSVBOKMFAKPBE-TWRKSUKDSA-N 430.509 0.906 30 10 ICEE CC(C)(C)OC(=O)N1CC(OCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248445081 HVGNZIPDCZVNLQ-UHFFFAOYSA-N 440.331 0.834 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255601051 DJOXNOUWWQSGQJ-MPBGBICISA-N 433.318 0.854 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccc3ccccc3n1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 2297638613 AAMFNUBZOVLAEY-FVQSIRDASA-N 436.432 0.014 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461658281 DOJSZMBAQBKUBW-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1 524281482 ZRLZWRAHMNFDLG-UHFFFAOYSA-N 445.566 0.640 30 10 ICEE COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586859233 XCNQQGPIFXEZHJ-UHFFFAOYSA-N 448.476 0.555 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 589160320 GYFJRDHWMVWYBK-CQSZACIVSA-N 433.555 0.577 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c1 756124141 HDXPHCQUJHHXTG-YOFSQIOKSA-N 430.574 0.981 30 10 ICEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC)[C@@H]1CCS(=O)(=O)C1 812023719 BVTGOUHNFUEIIL-CQSZACIVSA-N 426.502 0.839 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 916776029 OMNJRYCZUWOTRX-UHFFFAOYSA-N 449.510 0.839 30 10 ICEE COC[C@]1(C(=O)N2CCC(C#N)(C(=O)OC)CC2)CN(C(=O)OC(C)(C)C)CCO1 1140626942 LHHBAHRIXAPMEW-FQEVSTJZSA-N 425.482 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NC)CC1 1286485256 GXVUPJJOYXYRPP-UHFFFAOYSA-N 443.552 0.252 30 10 ICEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286714729 VBFDPKACERIVNE-IBGZPJMESA-N 438.532 0.803 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286785224 HSWFEVUWTYMFJZ-HZPDHXFCSA-N 444.540 0.348 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1288511418 XUVGRLLVCNBIBH-OHTQGHCMSA-N 426.481 0.779 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNS(=O)(=O)CC 1300806502 XGELZWCZTKUHNT-MAUKXSAKSA-N 443.595 0.502 30 10 ICEE C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1301473937 NSLDQPQLKAQIMC-OAQYLSRUSA-N 434.541 0.097 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 1311534343 OYJSSEBVDDXGAX-UHFFFAOYSA-N 434.440 0.879 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1358872663 XFGHVPVVVIHWJS-HOTGVXAUSA-N 425.603 0.372 30 10 ICEE C#CCCCCn1c(COCC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1358917318 NMUJNFPOSJARJV-UHFFFAOYSA-N 430.513 0.085 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1358960117 XLODUFDTDBCHRR-HUUCEWRRSA-N 431.493 0.990 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359229012 VXJNJYQGCOFCFP-SFHVURJKSA-N 446.552 0.821 30 10 ICEE C=CC1(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1454614495 DOVSROXFBCENMA-CQSZACIVSA-N 430.523 0.988 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508125779 IUHSAOOXZVTQMQ-YLJYHZDGSA-N 433.534 0.595 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1540876655 XQPGFQZJUOBXJE-BEFAXECRSA-N 441.554 0.246 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1541088521 HZEDARVVSIOOMD-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE N#Cc1ccc(CNC(=O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1560025060 DDGIKSLNCYUSHN-UHFFFAOYSA-N 441.557 0.771 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588034775 LTMDBPBKXKTZDB-UZLBHIALSA-N 438.550 0.593 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 1595789689 ZXQBPKHPSQTHFP-UHFFFAOYSA-N 433.538 0.818 30 10 ICEE Cc1csc([C@@](O)(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C(F)(F)F)n1 1607489238 OINBMOFVSHCOJN-HNNXBMFYSA-N 429.380 0.809 30 10 ICEE CN(C)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1640708486 AGULPWYSEQHZKC-UHFFFAOYSA-N 434.338 0.989 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 1643372413 KJCNEGKHEGAJHM-MRXNPFEDSA-N 440.566 0.778 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1689988849 XJPORGDANFNGIS-GOSISDBHSA-N 425.518 0.943 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1692565642 FSCCNYMXKKCLQG-UHFFFAOYSA-N 448.535 0.755 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705651760 HDNPHEQAJHYBJG-HRCADAONSA-N 426.612 0.928 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1705907689 UGFXSURGQXANNC-UHFFFAOYSA-N 433.534 0.609 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)CC)c1 1722308694 DLCDAVKPFGEYOF-QGZVFWFLSA-N 437.504 0.764 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1728779919 FHAPQEFGNZRGHE-IBGZPJMESA-N 440.570 1.000 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)CC 1740552618 OORLVMFJNUFZRZ-INIZCTEOSA-N 446.581 0.849 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740657793 YNFOLYQNMDCKQH-LVCYWYKZSA-N 432.546 0.981 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn2ccccc12 1740686367 RRGZZSIOORKWBB-MRXNPFEDSA-N 428.518 0.962 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740985149 CMQWGTKJATYONK-AWEZNQCLSA-N 447.583 0.031 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740995629 RZLRIMBQXRSPII-RVKKMQEKSA-N 428.511 0.093 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1748776263 CNXBNNXANUFWEU-UHFFFAOYSA-N 431.518 0.700 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1748875139 KRFXMBZBQINOLL-HNNXBMFYSA-N 434.460 0.377 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1760175522 LKSZPPDYQXWICX-MAUKXSAKSA-N 439.563 0.650 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1760183323 ARHFRCPDQJXODF-INIZCTEOSA-N 437.547 0.121 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760190376 PRIWMSCRYDFVER-GOSISDBHSA-N 442.545 0.417 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760432907 OHGLTEVKXPAWON-DZGCQCFKSA-N 425.559 0.895 30 10 ICEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1765597581 GJYWHKWEVNIWKK-UGSOOPFHSA-N 426.518 0.784 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1769379557 BARRSDJSAWQCOZ-HXUWFJFHSA-N 446.533 0.895 30 10 ICEE CC#CC[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 2213504724 FZNPMYFMKLKFLD-XUWVNRHRSA-N 441.525 0.750 30 10 ICEE Cn1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255826691 REUYVICJISCCFJ-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 477872868 DBWFHSMMAWKUBH-UHFFFAOYSA-N 432.546 0.534 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1 557227290 FSUXXMYNISBNNB-UHFFFAOYSA-N 430.530 0.565 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 734601469 HFIDGIARELQSKE-UHFFFAOYSA-N 444.469 0.447 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@H](C)OC 764187783 SDQJYVDIDYYYPI-JSGCOSHPSA-N 431.536 0.765 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C(=O)NC)cc3)cc2C1=O 777343096 ILWGFENLLJQBCV-UHFFFAOYSA-N 427.438 0.947 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1Cc2ccccc2OCC1=O 1133416066 AQOKHEBQDSFTIZ-UHFFFAOYSA-N 428.470 0.263 30 10 ICEE C=CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1178198173 AXRPYAJNKABMJD-QGZVFWFLSA-N 444.575 0.698 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 1215232872 XRQWEQFRELKWRN-KRWDZBQOSA-N 435.550 0.697 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1 1221793504 BVUACUHXDMYQFG-UHFFFAOYSA-N 433.303 0.883 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286382574 SNKRNEFUJVBKHS-SFHVURJKSA-N 448.593 0.625 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1286399207 BFFXAJANRWERRC-OAHLLOKOSA-N 430.538 0.327 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286475372 XYXJUKYXTOAMHT-KRWDZBQOSA-N 432.550 0.883 30 10 ICEE C=CCOC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1297029756 NAKPQCIFBHFQDZ-KGLIPLIRSA-N 434.511 0.271 30 10 ICEE CC#CC[C@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1300299557 ALXZKNMUBFGPCC-CYBMUJFWSA-N 436.424 0.934 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300494949 ACGOMSOZXXKADJ-RDJZCZTQSA-N 431.518 0.861 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300498760 MVYIHTFHMVKBQE-QZTJIDSGSA-N 431.518 0.306 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[S@](=O)CC)CC1 1300727376 YTWNQTDLSZTZTB-SSEXGKCCSA-N 428.562 0.998 30 10 ICEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1316111029 SEHKZHWVWIQJIA-MRXNPFEDSA-N 431.522 0.420 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nnnn2CC2CC2)CC1 1359047366 DHCUNMBWCHONMU-UHFFFAOYSA-N 427.513 0.225 30 10 ICEE COC[C@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1446055333 ZUDYFKKLOLTGGD-IBGZPJMESA-N 425.507 0.980 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1465170294 KTXXRTKXVMUBLX-AWEZNQCLSA-N 436.538 0.928 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468663950 SJOJXGACCBNEKX-RTBURBONSA-N 427.553 0.679 30 10 ICEE N#C[C@]12CN(C(=O)NCCS(=O)(=O)CCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1469945831 IOILAXUGBKAFCP-FUHWJXTLSA-N 425.532 0.224 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cn1C 1471145551 UJIPBUPPJSKWBB-SFHVURJKSA-N 428.518 0.784 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1507623081 QSJQCYNKKJQFPV-MRXNPFEDSA-N 438.598 0.631 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1507632073 ITZLIHGVSGETGG-WNRNVDISSA-N 438.550 0.686 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507725155 PYJPUTHPLAPBGM-KDURUIRLSA-N 426.569 0.933 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539052767 JFRJRVIWOIISFR-QZTJIDSGSA-N 438.598 0.993 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1539643694 AKQBXBQBXVVBFZ-VMXHOPILSA-N 449.552 0.935 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)COC(=O)N2 1540874340 COFPDNGDWLXHNW-UHFFFAOYSA-N 428.497 0.521 30 10 ICEE C[C@@H](CC(=O)N1C[C@]2(CO)CCCC[C@]2(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1558669159 FLHXQGHMQFWKFQ-ONGXBYRLSA-N 435.546 0.877 30 10 ICEE Cn1ccnc1C(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nccn1C 1587643881 YNGLGMAIBIJUMO-UHFFFAOYSA-N 427.490 0.865 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1587808984 XDZYPGJVQYKEKR-INIZCTEOSA-N 432.554 0.727 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@@H](C)CC 1588385125 FKAWXYRMERPSNN-BXWFABGCSA-N 427.571 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595467254 QRPWYKFYLCOLFT-HZPDHXFCSA-N 441.492 0.612 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1595799375 ZKCXSTIHDJGIQV-KRWDZBQOSA-N 427.571 0.541 30 10 ICEE CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1614968904 PBIWSJPCIIMVHB-UHFFFAOYSA-N 439.524 0.536 30 10 ICEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1669195851 DHSVGROHGIGLAL-UHFFFAOYSA-N 427.504 0.595 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Br)s2)CC1 1677303730 RAARJUYQIBYDOP-UHFFFAOYSA-N 435.369 0.848 30 10 ICEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCCC1 1686924678 HMJGFYGOAIZQCG-LJQANCHMSA-N 449.581 0.740 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(N)=O)CC1 1690665973 VNHZUAHRIIDLHZ-UHFFFAOYSA-N 426.477 0.720 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690673721 BPDCFVQYVCSUKQ-FQEVSTJZSA-N 438.580 0.782 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)CC1 1705633570 SZWPDOOUADRNHE-CQSZACIVSA-N 438.504 0.970 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705659013 IWRPXQHYYDLUND-CQSZACIVSA-N 426.568 0.114 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705887171 QWVSKLHPCJJEDL-ZIAGYGMSSA-N 434.588 0.182 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1705907119 AIBJFNOPEKTXFA-UHFFFAOYSA-N 440.552 0.891 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712877611 QGGOTELARPVXOK-PCYKQNFTSA-N 442.455 0.369 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CC2)CC1 1722440278 BPMOVJVNBYAKFA-HKBQPEDESA-N 446.577 0.391 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1722698593 IKQXJWBYKGEFPH-HOTGVXAUSA-N 425.555 0.735 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740716433 RCZUTOOXUZFYPZ-ZDUSSCGKSA-N 437.547 0.996 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740889094 YYJRNBAASBGGTH-XHSDSOJGSA-N 439.538 0.708 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740959416 UVYDKVRWDIRYBN-OAHLLOKOSA-N 448.553 0.145 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1748802459 QFKRWGOVGPJHDW-ULQDDVLXSA-N 437.566 0.858 30 10 ICEE Cn1c(=O)c2c(nc(NN=Cc3cccnc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 2327749696 LKKLQQXHMNUWET-INIZCTEOSA-N 449.471 0.715 30 10 ICEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2nccn(C)c2=O)CC1 466732560 GFPVCJDSVVUGQP-UHFFFAOYSA-N 441.536 0.868 30 10 ICEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 475562045 DPBNTXODXHJHLJ-UHFFFAOYSA-N 434.927 0.095 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508825832 GMJMZORWHJPTEA-OAHLLOKOSA-N 438.510 0.668 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 514223050 SZBOMQSHSQNQEA-GOSISDBHSA-N 446.529 0.071 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 583196607 PLXFJXDNKDIJIM-INIZCTEOSA-N 448.526 0.416 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)C1 807109562 JPLVZTZTSQTNAC-ZNMIVQPWSA-N 429.543 0.859 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134429102 OHFQHJJTVRMFLP-SQGPQFPESA-N 433.486 0.421 30 10 ICEE C#CCCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1136499210 OURBUIQSIJIMAI-FGTMMUONSA-N 439.578 0.824 30 10 ICEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1139176268 UIXDPQQJKZKIHP-GJZGRUSLSA-N 427.498 0.610 30 10 ICEE COC(=O)[C@H](Cc1ccncc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1141412609 OVWWFZHAKGXOFK-INIZCTEOSA-N 430.486 0.801 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 1175515295 VYLNDSOWWAIECC-UHFFFAOYSA-N 430.412 0.282 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 1235517536 ILQSDTNYQOXKCY-SFHVURJKSA-N 433.534 0.591 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1300528354 VAVCASCYXIDTEZ-UHFFFAOYSA-N 439.426 0.646 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1320526630 ADIMONYUUZBKAG-VHEBQXMUSA-N 436.465 0.898 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1)C1CC1 1359251313 ILYNEQRNLIBUAB-KRWDZBQOSA-N 435.554 0.971 30 10 ICEE CC(C)CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1456610573 AYWHCJIZILQGDA-MAUKXSAKSA-N 425.532 0.631 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCO[C@](C)(C#N)C3)CS(=O)(=O)[C@H]2C1 1472148961 KXPMBQMZPXBXHT-BKEDOTJMSA-N 427.523 0.798 30 10 ICEE CN1CCn2nc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2S1(=O)=O 1536888397 XCQIBPHTUYWUON-UHFFFAOYSA-N 425.474 0.719 30 10 ICEE CNC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(F)cc1C 1537457169 OWYVATSTECTOHP-HNNXBMFYSA-N 446.504 0.894 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1539179914 UCPPHNIATRFFKE-QGZVFWFLSA-N 436.559 0.843 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540868389 CRLGTVYAGVXWMQ-KRWDZBQOSA-N 440.552 0.679 30 10 ICEE Cn1cc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cn1 1554332606 HJVCAQVYWQQJMG-UHFFFAOYSA-N 430.494 0.663 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCN1S(C)(=O)=O 1555953677 BUYNSQHHJMRBSM-AWEZNQCLSA-N 441.521 0.464 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CCOC)CC1 1588805776 BHTOWRJCHGVFFH-UHFFFAOYSA-N 429.525 0.339 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1595506561 DUWIGEWKIDCZAO-AWEZNQCLSA-N 428.493 0.966 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597154496 XVWDAPPLQGTHRB-MGPWXQLLSA-N 427.509 0.913 30 10 ICEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1612596521 AVBSKJMQALCLEU-LJQANCHMSA-N 434.497 0.474 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616212835 HKPHBXGCTOHLPZ-FASAQXTFSA-N 435.460 0.360 30 10 ICEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1617801412 YMDLDOPFJQVNCA-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE CSCC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)c2ccccc2C1=O 1618171971 VGXKAMLRNJUMJA-ZSOFBXJNSA-N 447.538 0.801 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1619767769 AHQSOTMNLZWWMV-QFIPXVFZSA-N 442.520 0.899 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 1650845944 BUOIWOIJCOJVAB-UHFFFAOYSA-N 427.473 0.625 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689990408 NZXJNNWFDKWUBW-NEPJUHHUSA-N 440.469 0.369 30 10 ICEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1696588029 AUTAGYWLMYKYQE-UHFFFAOYSA-N 436.476 0.426 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705491056 WZYPDCOUEFSMDH-AWEZNQCLSA-N 443.533 0.541 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705534388 HEQFPZDYGCWBKN-BBWFWOEESA-N 441.554 0.265 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 1705648142 OPUBTCJGFMFYOM-MSOLQXFVSA-N 449.577 0.715 30 10 ICEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705733978 ZCYKUVXNBNJMDT-QGZVFWFLSA-N 440.504 0.693 30 10 ICEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705741291 LHOOMLIHTDWVKZ-LJQANCHMSA-N 448.568 0.703 30 10 ICEE CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1710987461 VVLHLUCASSXQRE-UHFFFAOYSA-N 437.508 0.082 30 10 ICEE CN(CC(F)(F)F)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1729389198 SORIQYQIZOLHFB-FOCLMDBBSA-N 441.414 0.925 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749193502 LONWGFBDULNMIZ-HZPDHXFCSA-N 445.611 0.864 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749672043 OIKDEEQASQCHED-IEBWSBKVSA-N 431.585 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749730554 IGKWDTYRIQGELN-KRWDZBQOSA-N 449.581 0.438 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749731500 FUULPGFDTXCTNA-GJZGRUSLSA-N 436.538 0.031 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760181917 DNYZKAPUSYPBHA-QGZVFWFLSA-N 438.598 0.773 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1760252241 OAUVKTRRAMYLJN-SFHVURJKSA-N 429.569 0.822 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760521905 HEXJMKNLYOSRGN-UHFFFAOYSA-N 431.585 0.913 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1760688940 QDCMXJZVJHOSJG-AYOQOUSVSA-N 441.554 0.464 30 10 ICEE O=C(NCCN1CCOCC1)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933600 JSDXCXKPZKQWJL-LJQANCHMSA-N 428.514 0.915 30 10 ICEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)CC1(C)OCCO1 2282350845 SLEIHLLDTMYXHS-CYBMUJFWSA-N 429.348 0.787 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC1 534146159 PIRAAQVPQFNUPD-UHFFFAOYSA-N 436.534 0.652 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 735063064 YKSIWICSSOOHIS-HIFRSBDPSA-N 442.563 0.434 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(C)C)c2=O)cn1 735069221 OWCHDHHWWBWDSE-UHFFFAOYSA-N 431.562 0.828 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 747738180 WBJUZZJUXZXPSM-KRWDZBQOSA-N 436.534 0.680 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)c1 763437175 MLQMHPLSTGZGTE-UHFFFAOYSA-N 426.542 0.453 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(F)cc3)c2=O)cn1 772278674 TVFWMMFZLGBZIN-UHFFFAOYSA-N 439.472 0.601 30 10 ICEE CC(C)n1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 796015847 HQYRBARYOOPTPS-UHFFFAOYSA-N 446.489 0.421 30 10 ICEE Cn1cnnc1N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1144237088 MOPDUJVZUZVPNC-UHFFFAOYSA-N 445.549 0.763 30 10 ICEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1146192380 AGBWNQRTGJCLLO-UHFFFAOYSA-N 441.513 0.467 30 10 ICEE CCOc1ccc([C@@H]2CCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1189976856 AWDXQMPICRKSKZ-IBGZPJMESA-N 426.473 0.945 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286788000 OELISAXYGIBOMQ-GOSISDBHSA-N 447.584 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286818749 NEPRWTNMICMMBU-IAGOWNOFSA-N 434.522 0.720 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1297778007 HCPXCNAZDAIYKQ-CQSZACIVSA-N 431.522 0.423 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1300267680 IKQIHHPFOWDYGF-HNNXBMFYSA-N 440.595 0.351 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1314560359 KRESKOPQHHMDSX-HOTGVXAUSA-N 426.543 0.681 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359301496 AFXIVHWOKDUENM-HDICACEKSA-N 431.585 0.769 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1359474216 OSKNSRPYPODCQW-CHWSQXEVSA-N 436.485 0.489 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507631257 NCGODZRNMUGPQO-VLIAUNLRSA-N 449.533 0.794 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1507751091 DJMDHAXTKACPGV-UHFFFAOYSA-N 446.533 0.667 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1511661203 CSHVYHSPVIXIHY-PBHICJAKSA-N 440.556 0.420 30 10 ICEE CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513310560 IPPYZEFFNIBGSW-DXQAYGFFSA-N 445.524 0.948 30 10 ICEE C=CCOc1ccc(/C=C\C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1OC 1557578359 VAIHMUFUQKOMND-KXVKIKSLSA-N 443.456 0.968 30 10 ICEE COc1cc2c(c(OC)c1OC)CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1566344626 BEOFNJMXSMBOLA-UHFFFAOYSA-N 428.445 0.864 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C(F)(F)CO)nn2)c1 1624892149 BYCISVQBIPGNPX-STZFKDTASA-N 428.421 0.885 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1627713567 IPBICQHLDDUXQM-JKSUJKDBSA-N 442.335 0.477 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)C2=O)cc1 1634918797 OAGPIIQDADMDDN-GOSISDBHSA-N 446.529 0.648 30 10 ICEE COCCn1nnc2c1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1636330225 KJTDSTUDDQJHKM-MRXNPFEDSA-N 437.460 0.586 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1638689801 LGSRHSCIERSEDP-MRXNPFEDSA-N 445.524 0.327 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(CNC(=O)C(F)(F)F)C2)s1 1644232468 TVIAKOZFJCTEBL-UHFFFAOYSA-N 425.454 0.892 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1648155921 RNNPETCNKPEKIS-QBWPOKONSA-N 437.518 0.365 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1650849127 VDZXWBDCDVWQQE-INIZCTEOSA-N 430.571 0.928 30 10 ICEE C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)CC(=O)OC(C)(C)C 1654984849 UXTNRYWUAGWYEI-UHFFFAOYSA-N 444.575 0.988 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1689875357 QDFWWDREUDTXMM-SQNIBIBYSA-N 438.598 0.849 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1690005982 GMQLVYVVOKGFQK-NRFANRHFSA-N 427.530 0.488 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1690058508 XUOVCXZKOLXBJN-ZPHPHTNESA-N 434.460 0.911 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)OC)CC1 1690669307 AKOHQLZKOXCKLB-UHFFFAOYSA-N 430.465 0.697 30 10 ICEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696376234 ZVBCVXXTLRIDFV-MYDZZUQKSA-N 443.508 0.618 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1696653579 BPGKZMXJRBVETD-UHFFFAOYSA-N 447.446 0.493 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1)C1CC1 1705854757 NNWKWAVROVBTNI-HOTGVXAUSA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908276 MLNYOXPHLQDQHO-OAQYLSRUSA-N 434.541 0.583 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCOC1 1711044614 DGFUVPUCXWIQHA-QGZVFWFLSA-N 426.477 0.813 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1712543291 LWDUMWNJSBLYCG-ATZDWAIDSA-N 441.554 0.682 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@H]1C 1722378875 IMHSWZMCFBRVDA-KKSFZXQISA-N 442.545 0.851 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 1748929173 FQSPCCBAOYZNDP-SJORKVTESA-N 441.554 0.266 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1749670524 UVMKUDDJRODKAM-KDOFPFPSSA-N 425.580 0.816 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749681751 HXTXKMVZSDILCS-JOCHJYFZSA-N 446.552 0.824 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191399 GSBHDPVUVPXUCF-IAGOWNOFSA-N 435.550 0.454 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760517548 PSMIBJAVWJQWPU-OAHLLOKOSA-N 441.492 0.478 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760520626 UWQCPQMRQBSPAM-NRFANRHFSA-N 438.492 0.457 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCC(O)CC1 1761462967 CNRXIICXUXIHIJ-HUUCEWRRSA-N 427.575 0.473 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2255694612 QMRRIQKCJRYIQB-INIZCTEOSA-N 431.224 0.397 30 10 ICEE CCc1nnc(CN(C)C(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)o1 20915585 JMXIEKARTDOSCK-UFWORHAWSA-N 431.482 0.840 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)cc1 27506425 WNENXDLEBGYEDG-UHFFFAOYSA-N 431.562 0.608 30 10 ICEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 505141355 HFJQEKLQVNSVNR-IAGOWNOFSA-N 431.514 0.964 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 571489208 ZMHIRXMSJWOFGF-INIZCTEOSA-N 448.526 0.416 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)cc2C1=O 599842573 YIBQJUCJPJLIPO-OAHLLOKOSA-N 435.502 0.687 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 732560951 DNVVHTAIBNHXTD-INIZCTEOSA-N 427.530 0.431 30 10 ICEE N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 732910653 RMSOSBPMPJNSPH-NHYWBVRUSA-N 425.413 0.284 30 10 ICEE C#CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[C@@H]1CCS(=O)(=O)C1 746590522 LBLDNALEQDBYHP-QVKFZJNVSA-N 429.498 0.634 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 771125034 VWDMHTLCLMQTKZ-MXVUGKIDSA-N 437.522 0.604 30 10 ICEE Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 773300982 GBMHWVJNWMRVQZ-ISLYRVAYSA-N 444.398 0.946 30 10 ICEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 781661946 NNPQAGPPIPYKJN-UHFFFAOYSA-N 447.314 0.796 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812277386 UONKCIGUFNIYKW-UHFFFAOYSA-N 449.483 0.541 30 10 ICEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1286548544 OOUOYGNFMNTLOP-MJBXVCDLSA-N 444.330 0.862 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1299147806 QTBCCQXSCVSTIR-ZMEGLIOTSA-N 429.481 0.023 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)c1 1300334309 LJZPSCMWDUDBJO-MRXNPFEDSA-N 443.529 0.761 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)CC1 1300703444 KKIGSCOKGTVWOC-UHFFFAOYSA-N 426.550 0.860 30 10 ICEE N#Cc1ccc(C2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)nc1 1301183377 WERMQUMKDRYPCD-MRXNPFEDSA-N 429.502 0.825 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1301501575 ZEUAKVFVTMQZOP-INIZCTEOSA-N 437.566 0.878 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1316206285 MPDABYGBWKHJIK-SJLPKXTDSA-N 447.540 0.037 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCC2)C1 1316354354 GRISVBUYCFXRCL-WMLDXEAASA-N 442.517 0.358 30 10 ICEE CC(C)Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1359776517 MKKJTDJFAKULME-YWMAMYRUSA-N 438.554 0.872 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCO[C@H]1C(=O)OC 1454854873 ZBYAFJQNKOEKME-FRFSOERESA-N 437.518 0.978 30 10 ICEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1472192691 WFYAWZZGJVYUCP-QFBILLFUSA-N 439.559 0.595 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OCC)c(OCC)c2)CC1 1477313579 HUPZPXZGCQBHRH-UHFFFAOYSA-N 438.550 0.821 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1507588252 HWAQWWZKPMSTNZ-LSDHHAIUSA-N 425.511 0.024 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C(F)F)N1CCOCC1 1507600522 GVVMYXCBTLQJKZ-KGLIPLIRSA-N 434.513 0.314 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630333 XAUICMJRRIAAAZ-TWOQFEAHSA-N 433.534 0.450 30 10 ICEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508154968 GWMYDJGORYMRQL-UHFFFAOYSA-N 442.549 0.582 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1517021660 FJFSYCWOVSNBNP-FQEVSTJZSA-N 446.533 0.704 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1539180086 WJKYPCAPHPDQBJ-KXBFYZLASA-N 425.555 0.622 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1539239126 IAIZULXBRIIWEF-IERDGZPVSA-N 427.530 0.795 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nccs2)CC1 1539431312 RAGXOKWTPNVYOC-HNNXBMFYSA-N 437.595 0.733 30 10 ICEE N#Cc1cn(CCC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)c(=O)nc1O 1568012898 ATCFRBXGIOSKQZ-HNNXBMFYSA-N 446.261 0.673 30 10 ICEE C#CCN(CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(=O)OC(C)(C)C 1584564500 UCZFMNBWTRBPDF-UHFFFAOYSA-N 430.509 0.502 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588055583 XVUSAWCVFKFEDA-JKSUJKDBSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595496838 INRYHSDVKYITBD-PBHICJAKSA-N 433.534 0.858 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1617619036 DPNIFHPXALVZGG-INIZCTEOSA-N 425.493 0.909 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1618647497 ZUWKMTQJAQMBAL-ZIAGYGMSSA-N 432.506 0.656 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)s1 1631306363 WWXKNWOOJJTJPE-GXTWGEPZSA-N 444.531 0.708 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1634928826 QDSAZLUJONYYIR-UHFFFAOYSA-N 429.454 0.738 30 10 ICEE C#CCC1(O)CCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1644292611 VERJYNGOAMVNFZ-INIZCTEOSA-N 449.552 0.549 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689986417 PHNJBLMANDMQLX-PXNSSMCTSA-N 431.518 0.772 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1689990747 RIWWUIGSUHMTBE-CABCVRRESA-N 426.564 0.607 30 10 ICEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690361211 KMWKRSPPEHFUNK-LJQANCHMSA-N 425.555 0.903 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690723761 AJXNFYXCNGFHGU-KRWDZBQOSA-N 447.565 0.808 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1705639189 INRIUUJAGUAQNY-NRFANRHFSA-N 429.613 0.811 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706024890 YJWBOFDYGODSMH-GJZGRUSLSA-N 432.506 0.798 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ncn(C)n2)c1 1722310588 XBNVXDMNGPSYKR-UHFFFAOYSA-N 428.460 0.968 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722367664 WVNFDTLNVCZWLW-XLIONFOSSA-N 447.586 0.759 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1730827763 WMQGXZPSXNUZBN-KDOFPFPSSA-N 427.527 0.292 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740624239 GSLGFXHYXRAUSB-SFHVURJKSA-N 446.577 0.289 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC 1740631255 RODXGRXZXQRPGX-UHFFFAOYSA-N 442.545 0.747 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nncn2C)CC1 1740700804 IWZDUFYFMRZHJJ-UHFFFAOYSA-N 441.540 0.339 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1741946283 ZVVAVGPQVYPMSY-XHSDSOJGSA-N 442.542 0.060 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748992979 LWRWPHUPNNWLOU-IBGZPJMESA-N 437.548 0.514 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760186145 AXYPSIAPVVZMGU-IAGOWNOFSA-N 437.566 0.715 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC 1760240674 YOIHKXBHYVAAFF-AWEZNQCLSA-N 436.513 0.803 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1760249277 IZEJABLCJHOLBP-MRXNPFEDSA-N 443.570 0.512 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760514396 DMTZBMIWYDNICE-MVVMVCHASA-N 425.493 0.825 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1760556570 IHSALCFHZCPYLK-UHFFFAOYSA-N 448.549 0.160 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763813110 GHCALVQALONYEQ-AXPPELJESA-N 445.524 0.659 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCCO2)C1 1771360630 DDLQEGINMBFDGL-IAGOWNOFSA-N 438.554 0.920 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562513 HKCCNMHXEIQPKP-UHFFFAOYSA-N 441.536 0.069 30 10 ICEE CCn1nc(C)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1C 1889537310 DFUULCZHHRTNOM-UHFFFAOYSA-N 437.610 0.940 30 10 ICEE N#Cc1ncccc1OC1CN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C1 1891333353 UHSPMYLJEBFNHJ-ZDUSSCGKSA-N 427.486 0.901 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2255538824 PZSILXQRMXFUSL-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC1CCN(C2CC2)CC1 767680219 LUDROPNNTZZPSC-CQSZACIVSA-N 434.518 0.511 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CC1(C#N)CCC1 771080918 OQTYSSIXPKMLTO-UHFFFAOYSA-N 441.531 0.769 30 10 ICEE C#CCN(C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774046482 LMMIXSUYWQZOJH-MRXNPFEDSA-N 435.502 0.578 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 789890519 YPOIRWOUCIIAGL-HSZRJFAPSA-N 430.468 0.995 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccsc3)c2=O)cn1 790434836 VPNKMFKUGYEBCB-UHFFFAOYSA-N 443.554 0.833 30 10 ICEE C=CC[C@]1(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 813947508 MHSIUFWOASCBNP-LJQANCHMSA-N 444.554 0.857 30 10 ICEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCOCC2)cc1 1116123606 BWEOLDSPLBKMJG-QZQOTICOSA-N 428.445 0.921 30 10 ICEE C=CC1(CC(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1155691492 ZAKLWSFADSFUKI-HNNXBMFYSA-N 439.509 0.706 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286785005 BICQRTUHXNHPFK-UHFFFAOYSA-N 433.538 0.503 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286791284 XOIWDGUENZAPBD-SJORKVTESA-N 426.525 0.404 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300494019 XPSUOAXCWISQCB-MRXNPFEDSA-N 428.580 0.997 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1300654455 XOWOJXUENMJXCS-DOTOQJQBSA-N 433.534 0.978 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1301483238 LMFJIIRATZVTMT-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1304107850 REWDSENUACTFEG-FQEVSTJZSA-N 437.518 0.700 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2CCOC[C@@H]2C1 1359332245 SWIIPNLIKNQUNE-IRXDYDNUSA-N 425.555 0.294 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1COCCO1 1360675649 FLZFCKPKZPAMAU-CABCVRRESA-N 426.543 0.824 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCCN3CCO)CC2)cc1 1450022613 QVHHHZOXFASLLW-LJQANCHMSA-N 434.562 0.922 30 10 ICEE N#Cc1cn(CCNC(=O)c2cc(F)ccc2I)c(=O)nc1O 1470360035 BBTYRWLWHGBMDV-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540869052 AFXQZHPYBMSIRM-QRWLVFNGSA-N 428.497 0.017 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876090 HCGWZWYHSYRVTP-PGRDOPGGSA-N 448.568 0.926 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1588074100 IXABNGJWUZJDSB-JOCHJYFZSA-N 442.589 0.795 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1588233086 ATLXTUXHGUWZBF-OALUTQOASA-N 448.593 0.558 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N2CCOCC2)C1 1595665602 YAXSPZKGXMBQRT-KRWDZBQOSA-N 434.541 0.837 30 10 ICEE CO[C@@H]1CCn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2C1 1625121564 XHLBZYJBUIWLJG-MRXNPFEDSA-N 429.502 0.863 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 1627229715 XMLFGRPEYZKLNK-HNNXBMFYSA-N 434.495 0.563 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(CC(=O)OCC)CC2)s1 1629421176 UUSHJLKGLBUFBQ-UHFFFAOYSA-N 429.564 0.852 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1 1632934386 WFTICXWBTRQNGZ-UHFFFAOYSA-N 435.502 0.688 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 1632960201 CRQQCGVBQCQLLG-UHFFFAOYSA-N 444.554 0.014 30 10 ICEE C=CCC[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1636469948 ZZHVERDMHIECCN-MRXNPFEDSA-N 427.498 0.735 30 10 ICEE N#C[C@]12CN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@H]1CS(=O)(=O)C2 1638485394 XQJBUHANZDSJCU-LAUBAEHRSA-N 445.545 0.468 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)C2=O)cc1 1642368279 HXKNSPWRURYEHP-BRWVUGGUSA-N 446.485 0.178 30 10 ICEE N#Cc1cn(CCNC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c(=O)nc1O 1674087186 CLKXOXLJDWAPRD-UHFFFAOYSA-N 429.456 0.081 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689990742 RHHJNYCUBTWUOE-HOTGVXAUSA-N 437.566 0.571 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1696624051 GZCAKMHSGDXBFS-QGZVFWFLSA-N 443.533 0.901 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1705522530 IAGYLQJWKRFXSB-UHFFFAOYSA-N 436.524 0.902 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1705633456 RHEOHFKXNYECQG-ZACQAIPSSA-N 438.598 0.847 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705659886 ITFZHPQKBYIIPU-KRWDZBQOSA-N 447.609 0.586 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722342270 VSTZBDCNZNXSQJ-BBWFWOEESA-N 442.524 0.947 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367343 MTOORDLRNYXSBO-QGZVFWFLSA-N 448.545 0.895 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC)CC1 1722442068 XKKNWNSIWVYWRL-UHFFFAOYSA-N 438.492 0.027 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C(=O)NC 1740752314 VODZXCFRMUXCRT-JONQDZQNSA-N 442.586 0.688 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1740877212 UVKKWZBAODJPOF-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740995180 CQEPIERFBQBPFW-KZNAEPCWSA-N 439.582 0.887 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(C)(=O)=O 1751192095 HLAYEMFXTPNWJR-ZDUSSCGKSA-N 440.551 0.441 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760186518 OCZGTYOTBNKVHE-IRXDYDNUSA-N 442.607 0.928 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1760187672 LHCOFIMMPFDSGC-DWRORGKVSA-N 447.561 0.837 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760192254 HBTLKARYKFGKTI-CQSZACIVSA-N 430.552 0.019 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cncn2)CC1 1760255297 GNJYPSPCLJMPNU-UHFFFAOYSA-N 440.533 0.396 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760516854 WRWZMPXOCBKAJW-LJQANCHMSA-N 433.601 0.935 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1769143766 HPFNIRDUHMZOOD-IBGZPJMESA-N 440.504 0.917 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2=O)CC1=O 1854019286 URPABOYXPJFECF-ZDUSSCGKSA-N 425.894 0.734 30 10 ICEE COCCCn1c(C(=O)N2CCC[C@H]2C#CCN(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1890164484 FOHMLMAQQBRASX-MRXNPFEDSA-N 429.521 0.245 30 10 ICEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247894277 FCORSJALKXIUSP-LLVKDONJSA-N 445.351 0.306 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267172541 BYCNHRJAUHMGGC-HIFRSBDPSA-N 448.329 0.733 30 10 ICEE CC#CC[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 2298015551 FZNPMYFMKLKFLD-YHUYYLMFSA-N 441.525 0.750 30 10 ICEE CC(C)CN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 110093592 CEPJJJQHFNMWAP-DYESRHJHSA-N 446.529 0.997 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 116940456 IOFQEWCMIYONAB-ROUUACIJSA-N 434.537 0.415 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 558674131 FBHLNVPNWNTYPP-WBVHZDCISA-N 435.554 0.600 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 589160272 DNSMEIVBIUQLDB-UHFFFAOYSA-N 433.555 0.577 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)c1 679000704 QDDFAZKJNVDDKI-UHFFFAOYSA-N 442.541 0.828 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735497164 DWFYMDGKQFVTBF-MRXNPFEDSA-N 426.516 0.460 30 10 ICEE CC1(C)Cc2cccc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)c2O1 738010227 JPAFAHWWYRKASU-UHFFFAOYSA-N 436.537 0.982 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 766618050 CGZMGISXOIIYMR-UHFFFAOYSA-N 427.530 0.896 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccc(F)cc1 812933944 OCCLFMHKDKUZSA-HNNXBMFYSA-N 434.449 0.908 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc1 1179324059 NBIRGXBCQUGNIT-IAGOWNOFSA-N 437.518 0.962 30 10 ICEE CN(CC(C)(C)C#N)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1230870365 RJLISCMCWCCNOI-UHFFFAOYSA-N 446.551 0.982 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1286390502 BISUPOPPGFZPBJ-HUUCEWRRSA-N 425.580 0.779 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1301258377 QYWSONYAQFCSJN-ZACQAIPSSA-N 443.570 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1301578735 HAFVURVZVICPLD-UHFFFAOYSA-N 435.554 0.728 30 10 ICEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358922343 BPULILRNBIPOEV-INIZCTEOSA-N 428.518 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359326562 CYXHIOCUQHNKGQ-CVEARBPZSA-N 426.587 0.936 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)CC1 1588836901 NYSHXXJMWXYSSG-OALUTQOASA-N 434.610 0.810 30 10 ICEE CS(=O)(=O)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1620167581 JAFGYRBCXYXUIC-UHFFFAOYSA-N 438.554 0.592 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC(=O)NCC(F)F)cc1 1620351671 GIHIMBFIKKTRRB-UHFFFAOYSA-N 438.460 0.679 30 10 ICEE C#CCN(C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@H]1CCS(=O)(=O)C1 1625363011 HRFNJAKSQTVUJA-IFXJQAMLSA-N 430.498 0.611 30 10 ICEE COC(=O)C1([C@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CCC1 1636122703 JUUZFHGYTYLTQB-BTYIYWSLSA-N 449.529 0.922 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)c1 1645230937 IZFULYBHAVWDNX-UHFFFAOYSA-N 429.502 0.801 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 1671035253 UVJIOEHSQCMWJM-UYAOXDASSA-N 433.578 0.692 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 1680778831 MZVZUWPNUXASGL-HRAATJIYSA-N 425.445 0.763 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 1683398342 CAAWIZUQOPFGQN-CABCVRRESA-N 431.559 0.473 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689984449 PMVNLDQFVXKNPU-UTKZUKDTSA-N 446.529 0.732 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690442639 XQFYSPZWZXTUOZ-ULQDDVLXSA-N 446.552 0.751 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1690527577 PZLGOBOHBIAECM-SJORKVTESA-N 426.587 0.965 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690670858 KUFLXJHXCGBUHG-GOSISDBHSA-N 447.584 0.812 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1695503719 CQHIWFPVWNHPCC-INIZCTEOSA-N 438.492 0.421 30 10 ICEE COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1698032472 DHJHAQPYIYJAPF-HNNXBMFYSA-N 433.538 0.577 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1705567201 UDHXBWBIFYUMRD-HNNXBMFYSA-N 431.522 0.325 30 10 ICEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705657819 SEBAGLSJJMIHTM-AWEZNQCLSA-N 428.493 0.598 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCC2 1705875632 ARQTXTKNLPXBAR-OAHLLOKOSA-N 448.553 0.375 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1722316920 OBSKUMNOKKGQTP-INIZCTEOSA-N 440.570 0.375 30 10 ICEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1722625381 SIZSUZRMXBAGSS-UHFFFAOYSA-N 433.538 0.767 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740622742 HWSDVGVMUKBGJX-KSZLIROESA-N 448.593 0.730 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740625422 NPDNGFITLXYVTI-MRXNPFEDSA-N 444.496 0.207 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1740685548 IIAOUYBKCACLIS-GOSISDBHSA-N 448.549 0.335 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740950758 GRUZPXYZHSGMKB-UHFFFAOYSA-N 439.520 0.681 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748831208 HJWPQIKQJCZZNX-IBGZPJMESA-N 429.458 0.476 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nccs2)CC1 1748973018 VEAPLXQVLWRKFG-HUUCEWRRSA-N 437.595 0.904 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1760232798 DRCLBHFFZPDUFY-SJLPKXTDSA-N 436.582 0.555 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1760248575 CGNOHHWLGZRCMH-KRWDZBQOSA-N 439.582 0.377 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2Cc3ccccc3O2)CC1 1760254339 VDFMGAAYAREXSB-SJLPKXTDSA-N 444.561 0.647 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1760406824 MSXDYFNZVYYVTF-KGLIPLIRSA-N 425.559 0.704 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760523397 WZCNXPBAZFKNFC-UHFFFAOYSA-N 441.540 0.707 30 10 ICEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1762348161 LMVGWNMDHANMFJ-ZBFHGGJFSA-N 436.542 0.602 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1771365988 HKXICDOTTDIJNF-HZPDHXFCSA-N 446.489 0.870 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2CCSC2=NCCc2ccccc2)n(C)c1=O 2040436218 IQXAOVRLHQTTEY-UHFFFAOYSA-N 426.502 0.608 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255821590 DWFSRWRZANERBO-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2256055739 CSQMNEWLZLGVRV-QWHCGFSZSA-N 434.302 0.486 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2317674514 HUBIKBWOVUXQBK-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE CC1(C)OB(c2cnc(N(C3CC3)[C@@H]3CCCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204873401 CSTZEOJPWUWKKL-SJORKVTESA-N 432.330 0.089 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)CC1 573004424 BEUIYBWWBUDCIA-UHFFFAOYSA-N 442.608 0.954 30 10 ICEE Cc1cc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 619736710 DBTOAPLQCAYJBY-KRWDZBQOSA-N 443.533 0.579 30 10 ICEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 743909220 UOGUVQKBGDPFLE-MRXNPFEDSA-N 431.518 0.073 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(Cc3ccccc3)c2=O)cn1 772274840 GZQSBXCFLVPJNA-MRXNPFEDSA-N 449.536 0.909 30 10 ICEE O=C(N[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOC1)OCc1ccccc1 780940980 SNZNBABLYOWNGM-RPBSFSNWSA-N 428.445 0.715 30 10 ICEE C[C@H](C(=O)OCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)n1cnc(C#N)n1 798741853 DMZIRWGXMMUNAE-MRXNPFEDSA-N 438.488 0.994 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)c3ccc(Cl)nn3)CC2)o1 919114469 DUJPAWMOUCQVQC-UHFFFAOYSA-N 433.856 0.626 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1158522297 BFLRWSMCADPEND-LBPRGKRZSA-N 426.495 0.069 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 1212214248 WWOUCOICNXEFGQ-UHFFFAOYSA-N 432.424 0.243 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 1222210914 BXTDMJZLJCRXNX-OAHLLOKOSA-N 429.543 0.085 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 1227510968 ZXWCQAKUJPBIDK-NRFANRHFSA-N 433.578 0.693 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383344 WZLVBUBKVAYMOK-DLBZAZTESA-N 436.582 0.527 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CC2)CC1 1286646322 PHQVIOYNWSIGPS-LPHOPBHVSA-N 425.555 0.928 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1286823692 PTXASPNAYXAQIF-ZFWWWQNUSA-N 430.600 0.912 30 10 ICEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286827989 FBVASFOWKUWKGU-UHFFFAOYSA-N 444.565 0.525 30 10 ICEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)C1 1300007903 LZVDQIWROVKEKO-OAHLLOKOSA-N 433.509 0.573 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1300657232 HXVFNANQZQOQAQ-UHFFFAOYSA-N 440.547 0.479 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)[C@H](C)CC)CC1 1300682363 GRGFHTYIIOHHLC-JTDSTZFVSA-N 426.587 0.441 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O 1300915275 LUSJULCDTJFSQR-MRXNPFEDSA-N 428.559 0.540 30 10 ICEE CC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1N1CCOCC1 1306396640 JAJNBLTWEQUSLW-YTLYVFJMSA-N 429.525 0.660 30 10 ICEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCS(=O)(=O)C1 1318285482 RESOQQIPERRGAM-MRXNPFEDSA-N 425.532 0.131 30 10 ICEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359026205 OEUKXVGHYJLIME-NRFANRHFSA-N 432.546 0.699 30 10 ICEE CCS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1516854868 GCPGOGPDGLQPAM-YOEHRIQHSA-N 448.505 0.459 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539066464 WAWZPZCAQHWMIO-DOTOQJQBSA-N 427.509 0.799 30 10 ICEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1539171124 GSOZKZUNZORCRV-UHFFFAOYSA-N 442.501 0.965 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1539249916 FHBAGVXVBCQCRZ-INIZCTEOSA-N 436.501 0.428 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC2CC2)CC1 1539482915 YFRXRLBYBQFUAP-GOSISDBHSA-N 428.537 0.664 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1539556448 CQHHZJYSFSJHBO-FOIQADDNSA-N 428.518 0.715 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1541675618 RKTGKBVXFRXYIE-UHFFFAOYSA-N 446.537 0.054 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1587909989 ZDKUNFLOCGPTAY-HNNXBMFYSA-N 432.550 0.902 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588173547 DXEQWWQAFBNUOK-LJQANCHMSA-N 441.580 0.822 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(=O)N(CCOC)C1 1588314317 ALTUFTGJMWZDBB-OAHLLOKOSA-N 428.493 0.960 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1588923651 HNSACMFUHGHSQY-YHEJKZAPSA-N 428.537 0.746 30 10 ICEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(C)c1 1611159352 LCGWOSABDZAORY-GUYCJALGSA-N 428.536 0.066 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(=O)n1C1CC1 1614827247 GUBJRWRHGMVBBZ-HXUWFJFHSA-N 432.484 0.934 30 10 ICEE C#CCN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1618030202 YMSCXGJBQOTHCS-QGZVFWFLSA-N 431.514 0.791 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1632624753 YKSJXXTYYRWDGC-UHFFFAOYSA-N 448.564 0.422 30 10 ICEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821328 DBKUJHBVKSFOEH-WTVLQJKYSA-N 427.523 0.798 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 1668702100 UNSBGAVLJNJXHN-UHFFFAOYSA-N 433.534 0.848 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1689930795 ZMYQPGAOEZHDCO-NVXWUHKLSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689990128 LZBXBLSQRDOBDS-QZTJIDSGSA-N 443.529 0.556 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689992833 PKKSZSZBUCGZMH-HZPDHXFCSA-N 428.580 0.538 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690113593 OEGQZNPLOUJAIW-JTSKRJEESA-N 430.553 0.600 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690622573 SIPHJCFKSZJMTF-GJZGRUSLSA-N 426.543 0.150 30 10 ICEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1692819973 IBXFLLDBVJKVMC-CZUORRHYSA-N 438.485 0.835 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1696827326 WXGZMCIUJREFHA-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705662436 YTLJTLAVXFUFAK-KBPBESRZSA-N 432.593 0.170 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1705675281 ZSMPQIHMMRKTBI-CRAIPNDOSA-N 440.591 0.997 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1705697789 NUWHQARRMCNIPV-FMKPAKJESA-N 426.543 0.196 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1705932699 IPWHUJGGIVOXJO-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722351906 LWLAUTWZWSNKQW-AEFFLSMTSA-N 444.561 0.918 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722358029 CNKZINWRFPIWSY-QRWLVFNGSA-N 449.533 0.544 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1722384834 YFISUJSXDAHGPF-QGZVFWFLSA-N 435.513 0.882 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1722397204 HMJVCVHSMWADSE-WOJBJXKFSA-N 425.581 0.966 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1722461049 LMXBWFDPVHXZST-GJZGRUSLSA-N 426.568 0.573 30 10 ICEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)CC1 1740569720 IUJZDWUZVCYYTG-UHFFFAOYSA-N 426.506 0.959 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1740671818 PLLLICGWTOVGFW-QGZVFWFLSA-N 427.530 0.974 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C 1740732095 RFURVDAJWOPSPJ-MAUKXSAKSA-N 443.595 0.500 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1740793082 PASAERLSAFGROB-MRXNPFEDSA-N 429.543 0.430 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCN(C)C2)C1 1740971344 WGPBIWZVVMBALH-KKSFZXQISA-N 427.509 0.773 30 10 ICEE CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1748294532 IFMVYZWGMOGWFL-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1748791526 UXPAAOJHZXNNHH-ROUUACIJSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748808066 HKRWOIUHHXKCBY-WIYYLYMNSA-N 441.513 0.595 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1760259038 FZAUTOBBMJIGGW-UXHICEINSA-N 443.596 0.480 30 10 ICEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760449638 PNPQNBALSJRBHL-INIZCTEOSA-N 446.508 0.940 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1760509998 ADEIHUYMFUIRJL-INIZCTEOSA-N 441.554 0.919 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1760530452 PPXMUYSOTDQGAG-YJBOKZPZSA-N 447.540 0.298 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760556861 RWQFFAHRJSRJDA-INIZCTEOSA-N 431.522 0.079 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCCO2)C1 1771360636 DDLQEGINMBFDGL-SJORKVTESA-N 438.554 0.920 30 10 ICEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1ccc(C#N)cc1I 1853066929 GMYNIVQOKLAKSY-GFCCVEGCSA-N 433.227 0.704 30 10 ICEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891421959 YULAGNXGKIVQRL-UHFFFAOYSA-N 431.474 0.935 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 428002382 WYMCBNCGPPJSBY-QYIJWSABSA-N 427.526 0.850 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3ccccc3C#N)CC2)CC1 477504637 PFKDORIXGALJLL-UHFFFAOYSA-N 426.564 0.682 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CCN2CCOCC2)c1=O 497578330 HONFDWCHFOCUNK-UHFFFAOYSA-N 443.573 0.484 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508823818 FYEROBAOJVXCLT-GOSISDBHSA-N 444.517 0.935 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(OC)nc1 538495508 KBFKXEGDMRBEQN-UHFFFAOYSA-N 437.481 0.264 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CCN1CCOCC1 765666173 VZPOMUQPCFUDKH-UHFFFAOYSA-N 435.431 0.682 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)C(F)(F)F)CC1 780559462 CWIVVKDSSRFCFC-UHFFFAOYSA-N 425.410 0.326 30 10 ICEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 919011449 DXSJUDPQPPDDFT-ZDUSSCGKSA-N 439.538 0.979 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)CN(C)C 1128703676 OCCYNOKJOAKBNM-FQEVSTJZSA-N 437.566 0.595 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 1136985922 AZQRAUWPLJKUTE-NRFANRHFSA-N 428.514 0.590 30 10 ICEE C#CCC1(O)CCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 1215928454 PWQKWNOQRUXZGL-UHFFFAOYSA-N 427.461 0.562 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1286297912 YWXUROURKOJSOO-SJLPKXTDSA-N 449.581 0.973 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286396527 VTXRCVTXSRITAZ-OAHLLOKOSA-N 429.568 0.064 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1286431886 ZVZBAHJJMLZNLR-LJQANCHMSA-N 433.516 0.972 30 10 ICEE CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1294054678 LRUHITVUXPGMIP-DXQAYGFFSA-N 445.524 0.948 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301595053 MEJHFXVXXSOQAE-AVGNSLFASA-N 431.540 0.922 30 10 ICEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(=O)n1C 1304355775 GSHQUHBMMJVLMU-QGZVFWFLSA-N 430.534 0.976 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C2)c(=O)nc1O 1305590328 PMCNOFZUWSQUGW-CQSZACIVSA-N 449.514 0.509 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1314976053 BTCVRURBSUZABV-FQEVSTJZSA-N 446.533 0.736 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1315008034 PJFJOPVJVUZPDK-QZTJIDSGSA-N 426.477 0.573 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1316101556 MTGRWFYWHYDPIZ-MAUKXSAKSA-N 427.527 0.088 30 10 ICEE CO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316320780 QAEQITZFCLCWGC-ORIGZDJFSA-N 429.481 0.152 30 10 ICEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1359240864 ZAYQEUAKTATZNL-HNNXBMFYSA-N 439.563 0.781 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507558043 VIFFUFOEEMZVSB-DZGCQCFKSA-N 437.526 0.961 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O 1507953168 DEMTUYXLOLGPNH-CQSZACIVSA-N 435.572 0.058 30 10 ICEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1518947092 VWDXJJDFAZPQBM-AEFFLSMTSA-N 426.477 0.859 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1539420087 AZAJQYXLZIAUSV-UHFFFAOYSA-N 432.550 0.969 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F)C1CC1 1540107886 DZVZTTBPUGGJPK-ZDUSSCGKSA-N 448.496 0.147 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1540198942 UFEHMVHOYOHTLH-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CC1 1541943471 XCXUVJJPRKRGSX-AWEZNQCLSA-N 430.538 0.892 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(I)c(O)c2)c(=O)nc1O 1585295776 MIOZCQUQJMMOTO-UHFFFAOYSA-N 426.170 0.561 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1587932020 JGCYUGVEKDNAPR-UHFFFAOYSA-N 430.534 0.791 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1589544643 JNFMGZFSDDTQBA-ZOBUZTSGSA-N 425.555 0.734 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595754986 RXAVETOZIVYORX-OAHLLOKOSA-N 438.554 0.172 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1595796649 AWKBZGYFGBEGAK-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1609512094 RVSOZJGEEQWNFG-VLGSPTGOSA-N 443.508 0.702 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)s1 1629773026 ZTNJWCZONSISTN-UHFFFAOYSA-N 432.549 0.635 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCC4(C3)OCCO4)C2=O)cc1 1640987278 BOABATBBQICTTP-KRWDZBQOSA-N 427.461 0.328 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1690019324 FXCJRQULTFTFJJ-SFHVURJKSA-N 432.594 0.279 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)(C)C)CC1 1690135218 RYMNCUFHVLMWPN-UHFFFAOYSA-N 445.568 0.687 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C)CC1 1705644496 SEDDBZFJSBLCBA-INIZCTEOSA-N 438.536 0.841 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1705662414 YESUNXCRYRFCDO-INIZCTEOSA-N 439.607 0.994 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705936163 KXLSPFFEGFQCPQ-DLBZAZTESA-N 437.566 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705938017 LAKHGOHNMSJEBT-KBPBESRZSA-N 439.494 0.115 30 10 ICEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705943142 OXVOKRNKADJONB-UHFFFAOYSA-N 428.526 0.528 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1706074853 FYIUUBCQDGRDJW-HZPDHXFCSA-N 441.602 0.795 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1712883982 DFIYUOSRSJKNHZ-DNVCBOLYSA-N 435.481 0.286 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722363256 ZLSRPLKRVSLCMD-JKSUJKDBSA-N 445.549 0.220 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1722395695 AJRHLGLYFLYLTI-MRXNPFEDSA-N 432.506 0.353 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1722714395 MQCLQYMPWBEPTR-BRWVUGGUSA-N 432.525 0.505 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740956172 LSDPMRVUKNFZTJ-OAQYLSRUSA-N 438.492 0.457 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1747997093 IAYDAQGQNVEFFN-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1748906154 PXOJSJLHFCRAJU-OAHLLOKOSA-N 439.563 0.822 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)F)CC1 1749009824 LVWJIAQUJJWUCA-HNNXBMFYSA-N 438.479 0.867 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749669487 IFCNFSLYHVRJAM-ROUUACIJSA-N 445.568 0.217 30 10 ICEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760140433 NEVQSJQLUYPNKD-UHFFFAOYSA-N 435.532 0.995 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760186817 ATELOJSPMNFNCD-KGLIPLIRSA-N 438.460 0.786 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCN(C)C2)n1 1760251768 GIPALNMOTXUREG-AVRDEDQJSA-N 443.552 0.331 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1761193234 HHOSXGXYEAIRMZ-OAHLLOKOSA-N 441.492 0.468 30 10 ICEE C=CCNC(=O)c1nc(C(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)cs1 1890427080 ZXTOQIICACTJLV-UHFFFAOYSA-N 432.510 0.077 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 2022805422 ADRYHQDWNIEGPH-CBBWQLFWSA-N 440.497 0.299 30 10 ICEE C=CCNC(=O)NC(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195348926 YYBIULQHRKVSEB-CQSZACIVSA-N 441.462 0.183 30 10 ICEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC(O)C1 2248445234 JWFGLMRESGLNRV-UHFFFAOYSA-N 440.331 0.616 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)(C(=O)O)C1 2267165345 DFHFMJVIPBGDTC-UHFFFAOYSA-N 448.285 0.580 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CCO)[C@H](C)C3)nnc12 428523682 GRQYUFURMLSVQU-OAHLLOKOSA-N 442.545 0.847 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 505700460 PNOQDZABCAIKID-OAHLLOKOSA-N 429.546 0.406 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 514310588 HQCCQLWPKKOJRA-FUHWJXTLSA-N 426.516 0.326 30 10 ICEE C[C@H]1C[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 531139723 ZBFANLYHNRNBDZ-HKUYNNGSSA-N 433.578 0.806 30 10 ICEE Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 608919343 NUGODKVXSKNXDL-INIZCTEOSA-N 429.506 0.489 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 615456169 FYCBIYMAWNNJEO-LJQANCHMSA-N 448.593 0.148 30 10 ICEE C[C@@H](CC(=O)NCC(C)(C)N1CCS(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742669220 IIOUHCZULOAHOM-AWEZNQCLSA-N 440.591 0.463 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCOC 790356193 PPVNQFMWEMTKLA-UHFFFAOYSA-N 437.525 0.771 30 10 ICEE COc1cc(Br)c(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798813609 AQGQKAAKDAYGEJ-QMMMGPOBSA-N 444.267 0.996 30 10 ICEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c(=O)n2C 815479012 RDDLZSHKSSXQHA-UHFFFAOYSA-N 436.350 0.966 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 918756244 MMPSICCJIXXWQQ-NVXWUHKLSA-N 442.534 0.875 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1Cl 1130149339 HKAOEELPGUOAMV-IFXJQAMLSA-N 437.905 0.981 30 10 ICEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 1136109463 AIWKYAVEQFXOMB-UHFFFAOYSA-N 443.485 0.669 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1286376148 GHQCPSNSHPOGGJ-QGZVFWFLSA-N 435.506 0.443 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286390277 ZVPFLRZPTNREGV-GOEBONIOSA-N 448.936 0.953 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)(F)F)CC1 1286490050 KCUZLRDUVNYTFH-UHFFFAOYSA-N 437.426 0.918 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1286727127 NHEQTWZSDIKJHU-AWEZNQCLSA-N 429.934 0.783 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1286791231 VKEXYUSSCMMHAP-HNNXBMFYSA-N 445.549 0.677 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300502188 RIFJBBQHUODHRL-UZLBHIALSA-N 437.566 0.434 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1300537137 AJMBMEBFHRXPMD-QYZOEREBSA-N 449.577 0.745 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1301588109 WBCMQAWYKWCQEY-INIZCTEOSA-N 432.550 0.827 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1359304023 IPPDTERXRVEIPT-UHFFFAOYSA-N 444.565 0.876 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1359327153 UBFQGSYPKPHWPG-ZDUSSCGKSA-N 435.572 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1359333133 OTHKDFHTGPASMD-HOTGVXAUSA-N 446.595 0.644 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCOC1 1360707847 LSWNQAIBLKDPRL-ZMSDIMECSA-N 437.570 0.491 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1 1455114588 FLWXPINOKNMJEC-KRWDZBQOSA-N 428.518 0.119 30 10 ICEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1507672426 BATVZVMBDJEKRE-UHFFFAOYSA-N 448.574 0.624 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1507770836 QVEPIEJOJXDFBG-LJQANCHMSA-N 435.550 0.332 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1510132281 LIZYGFGATCPHAJ-LTRYHMRKSA-N 436.538 0.941 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CCO1 1517536076 MIDZEKKISNPLNG-SFHVURJKSA-N 437.460 0.951 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1539266817 SNPXIXQDYPKJFA-QYZOEREBSA-N 449.577 0.889 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1539729992 NEFUZOSKJHITGS-MRXNPFEDSA-N 442.586 0.786 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540872952 HKLXEUFXZCEJCL-UHFFFAOYSA-N 438.536 0.904 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@]34COCCN3C(=O)COC4)CC2=O)cc1Cl 1544634245 SSNYKFLPBXJNAF-JLTOFOAXSA-N 432.864 0.309 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049807 LMAYPVBQERVYBM-OAHLLOKOSA-N 445.549 0.524 30 10 ICEE COCCn1cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1632528011 HZKZLCPTAVDONQ-VYDXJSESSA-N 446.508 0.758 30 10 ICEE CCOC(=O)CS[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(F)(F)F 1637918735 VQTYCLRDPRVMCH-NSHDSACASA-N 449.411 0.614 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@H](C)O3)CC1 1665179203 LHEYHPGSNVJHES-LBPRGKRZSA-N 433.939 0.437 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 1680023508 GLFPZWSKUVEFDD-UHFFFAOYSA-N 441.598 0.064 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689988158 KEZDSSXBKBZPHJ-MRXNPFEDSA-N 443.533 0.421 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1690076833 CABHOLXJPRYBLC-BXWFABGCSA-N 425.555 0.622 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cnn(C)c2)CC1 1690136425 FHUIOYFCFVVZAD-UHFFFAOYSA-N 440.552 0.748 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1696903397 QPERKWFRULZULB-CQSZACIVSA-N 435.492 0.846 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705907910 BPLCQMSWWDLNPE-CQSZACIVSA-N 429.456 0.512 30 10 ICEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722326789 KHWQGDAAVKJQSJ-UHFFFAOYSA-N 440.899 0.742 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3CC3)CC2)c1C#N 1742668435 AHADVSMSRYIZHS-AWEZNQCLSA-N 447.569 0.539 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1748278830 VXDJBUQPAOFJDO-CVEARBPZSA-N 426.433 0.979 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760099303 DTLWHIJSRBTRSO-BXWFABGCSA-N 425.555 0.670 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1760232732 CQBZXFCYCBUAQC-OAHLLOKOSA-N 440.570 0.233 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760275148 QTNUDQPTNCWURB-JZWPEALZSA-N 427.596 0.852 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1760316053 LSDQEUGROUITCC-LZWOXQAQSA-N 426.543 0.148 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1760358074 RBDOLQFCKVIXBN-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760643105 PDRBGNYHOOOHSS-ZBBYCGENSA-N 427.509 0.862 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC(=O)N1 1767930680 FONNSMJJGHPCOR-OAHLLOKOSA-N 427.513 0.333 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1772891376 MJCULHOLRKSYNU-DJIMGWMZSA-N 438.554 0.776 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)CC(F)(F)F)C(=O)C2)C1 1854320228 DIPGNJRCHZBBLB-AWEZNQCLSA-N 444.435 0.944 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC)c(F)c3)C2)CC1=O 1856803770 NTTOOCKOHHTNFE-CHWSQXEVSA-N 428.438 0.717 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(-n4cccn4)cc3)C2)CC1=O 1856904904 SSOYQOVLZJDHRO-WBVHZDCISA-N 446.485 0.755 30 10 ICEE N#Cc1c(NC(=O)COc2nonc2C(=O)N2CCC(C(N)=O)CC2)sc2c1CCC2 1872678563 BOBCZZGMJYMFRV-UHFFFAOYSA-N 444.473 0.846 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)CC1=O 1872995092 SPHHTLBIIRDVIE-DLBZAZTESA-N 442.491 0.884 30 10 ICEE CN1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267091098 OYLLNEAMCKZLBJ-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2267259714 DHIKEECZFPZBSF-KRWDZBQOSA-N 436.325 0.964 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)[C@@H](C)C1=O 2286029369 MFWGGGXQPAZPMI-HOCLYGCPSA-N 439.490 0.415 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2333316048 DLOOMABESJEBQV-VNQPRFMTSA-N 449.313 0.660 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccc3ccccc3n1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 254834264 AAMFNUBZOVLAEY-FJXLLPKBSA-N 436.432 0.014 30 10 ICEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CC2)c1=O 447271338 NHOMPBSQSFPVGE-UHFFFAOYSA-N 434.319 0.522 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C#N)C3CC3)CC2)cc1 481777431 JRRAWULSNQSLAH-SFHVURJKSA-N 434.518 0.727 30 10 ICEE Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585479952 SYDUWIIWGTYCEP-UHFFFAOYSA-N 441.561 0.919 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 609457153 MNQKJVZWYDVOJR-MANSERQUSA-N 438.594 0.788 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 670197235 HCVUPQBFXDGWNS-CHWSQXEVSA-N 439.460 0.955 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 767082125 XDRDXOUWJRESQR-GFCCVEGCSA-N 438.524 0.398 30 10 ICEE C#CCNC(=O)CN(CC(=O)NCC#C)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 915635162 WCAUAUUZAPAQES-UHFFFAOYSA-N 435.450 0.870 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1152967295 FPCPHEHMBNCNDN-IAGOWNOFSA-N 440.566 0.776 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 1175514770 IDZGJDMJDMUDDO-SFHVURJKSA-N 436.534 0.549 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1 1175514970 LWKLNFHYWUCOJY-MRXNPFEDSA-N 434.518 0.050 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1286314115 KEXVPLHAQXYTDE-HNNXBMFYSA-N 425.559 0.543 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@]2(O)CCOC2)n1 1286471420 MTJXNILQBJTWFE-JOCHJYFZSA-N 437.504 0.974 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1286792868 KLTOOUAYUYVVET-OAHLLOKOSA-N 426.587 0.986 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1302241744 BTKKYQBRLYAWQD-LLDVTBCESA-N 427.527 0.148 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358954924 ATFHFZRFAVMHBI-HUUCEWRRSA-N 428.580 0.637 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 1464849383 QUXMIPCTNXONLX-SFHVURJKSA-N 439.516 0.282 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CC(NS(C)(=O)=O)C3)C2)C1 1467376803 SZHUOEPVOODNHT-BVKYHKCPSA-N 426.539 0.970 30 10 ICEE C=CCOC[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1467515356 GZHDXJKDOIABOK-JBVUFVISSA-N 431.489 0.760 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(I)c2N)CC1 1467814563 NAPBGYVFDKJJFG-UHFFFAOYSA-N 426.258 0.381 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1507632074 ITZLIHGVSGETGG-XDNAFOTISA-N 438.550 0.686 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1507712572 ITASSMLLIYEUKG-QGZVFWFLSA-N 446.533 0.272 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)CC1 1508078489 CASADHVNHALGME-UHFFFAOYSA-N 426.477 0.687 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1508088489 BDWBMYJLICKYOC-IRXDYDNUSA-N 436.582 0.547 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517355334 SXLFYIAGUKOQBX-KIJUOZEOSA-N 443.508 0.656 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1539267084 WGALSDIYROSSNQ-KRWDZBQOSA-N 444.517 0.136 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1539295762 FPSDZPHFWVXZMK-HNNXBMFYSA-N 438.554 0.876 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1539416899 UOFKXVUJVJNJNF-KRWDZBQOSA-N 437.566 0.669 30 10 ICEE CCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546461783 HAIMBVPINBMSRF-CILBIJLJSA-N 429.525 0.668 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1552884580 DLDILHMKIJFODO-OAHLLOKOSA-N 448.505 0.336 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053503 FHDDYMLZKSOCLW-IAGOWNOFSA-N 434.566 0.342 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cn(CCOC)c(=O)nc3O)n[nH]2)c1C 1588237101 MMDXASSFWRMXMM-UHFFFAOYSA-N 427.465 0.915 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588263386 TYBQOROINVLPFW-HNNXBMFYSA-N 431.522 0.666 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncn(C)n2)CC1 1588885674 YIHIFWQTEJAOLN-UHFFFAOYSA-N 441.540 0.339 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C)C1 1595730061 SVSJOMYFGAGQLA-BBWFWOEESA-N 442.586 0.342 30 10 ICEE C#CCN(C(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)[C@H]1CCS(=O)(=O)C1 1628182693 KBIBSDGDXACOAV-INIZCTEOSA-N 430.486 0.954 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1669829337 SDKWNSYBSPGYHJ-UHFFFAOYSA-N 443.298 0.516 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1690015813 YBLWXKWLGOITEA-UHFFFAOYSA-N 439.501 0.558 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1690076836 CABHOLXJPRYBLC-TXPKVOOTSA-N 425.555 0.622 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC)C1CC1 1690544744 ACPWJBKHJGFTPE-YVORESIASA-N 431.584 0.534 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690669499 HGVQGYZIFWKHRW-SFHVURJKSA-N 439.520 0.867 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690676298 VUQZQYJHQKXNHJ-UHFFFAOYSA-N 442.520 0.763 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1705532808 QYNQLRCJQWVOTD-INIZCTEOSA-N 434.566 0.978 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1705550216 VFJPQKXMGVNSNE-UHFFFAOYSA-N 429.506 0.201 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 1705781200 SDHGGDBOTPDWGH-CQSZACIVSA-N 446.599 0.326 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1705904310 LUHPQNGOWIIWDV-HOTGVXAUSA-N 441.554 0.113 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1722352882 QMDADTQWTXGBIQ-INIZCTEOSA-N 430.534 0.530 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722452201 RYOPGFKTENXMES-DYVFJYSZSA-N 442.567 0.286 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1722691548 RFXREYHHIBMUGD-NSHDSACASA-N 444.949 0.214 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1740622283 WTYHRBVKNBXYHM-MRXNPFEDSA-N 426.506 0.627 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccsc2)CC1 1740695803 DOUJRLHSOLRJCM-OXJNMPFZSA-N 449.602 0.905 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1740706257 REDVVAIZEBOWNW-ULYRPOKDSA-N 430.553 0.992 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1748751196 DARRRJUYYUFWID-HZPDHXFCSA-N 428.580 0.997 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCC2 1748949486 BPMDKSKOAADPQM-NRFANRHFSA-N 429.525 0.991 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCOCC1 1750419536 PYKVCRUXCYCLKD-FBMGVBCBSA-N 429.481 0.267 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760678307 WAHXXZZKSCBSPQ-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)C1 1771357704 CRYTURIXQHLQTL-MRXNPFEDSA-N 448.574 0.667 30 10 ICEE CC(C)S(=O)(=O)N1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1855799124 DXNSJJZMOFOBQV-IBGZPJMESA-N 432.546 0.974 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)CC1 474414111 NAZCHFFVQKFXRB-DYESRHJHSA-N 430.553 0.556 30 10 ICEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)n1 477454353 PRSJEPGORZSOJC-INIZCTEOSA-N 440.525 0.664 30 10 ICEE C=CCSCCNC(=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 514306668 JTCXZZXAPXXFOF-KRWDZBQOSA-N 448.593 0.404 30 10 ICEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@H]1CCS(=O)(=O)C1 521421158 VBRWZBLEEYZEHM-HOTGVXAUSA-N 445.563 0.894 30 10 ICEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 741826931 WHROAYJCZKSYFS-CYBMUJFWSA-N 445.501 0.887 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H]3CCCN(O)C3=O)CS(=O)(=O)[C@@H]2C1 1141462970 ATZBHRCMIFIPNO-YIYPIFLZSA-N 431.511 0.153 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)CC1 1191503280 RLBPTWPHDVROFA-UHFFFAOYSA-N 430.530 0.041 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286394168 VBLLUXDTJVQMMX-XGHQBKJUSA-N 449.577 0.578 30 10 ICEE C#CCSCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1300777915 HDDQCRNUPQQTDG-UHFFFAOYSA-N 446.581 0.409 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(C)s2)CC1 1301087124 VHTCHUAIACTCIS-CQSZACIVSA-N 439.567 0.976 30 10 ICEE C#CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1318977300 JPGMZOOJOKSDMP-IRXDYDNUSA-N 428.470 0.412 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358963545 JZGIWMDEVWDUAP-PMPSAXMXSA-N 435.550 0.323 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1359332474 YOWWRCAAXFZOSL-OAHLLOKOSA-N 446.595 0.786 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1 1455115421 OYACRJMBZZXWKW-UHFFFAOYSA-N 435.481 0.729 30 10 ICEE CC(C)N1C(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2S1(=O)=O 1463163727 PKPIXHBJGJJDKR-SCLBCKFNSA-N 437.499 0.250 30 10 ICEE C[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1493587278 DBKBFXIRKAEUSP-VQHPVUNQSA-N 438.554 0.776 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1508123418 HXCDUDQSMBMOFK-MSOLQXFVSA-N 439.582 0.684 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CCO1 1517535892 HTYUBHBKOHQXIA-GBESFXJTSA-N 440.504 0.819 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1519317100 DDHVOCWWHACJDW-WZGPROSRSA-N 434.541 0.719 30 10 ICEE COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519403115 DHMYSWLLIZQBMS-RDJZCZTQSA-N 438.554 0.020 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1540006394 SDXCWFYSTVLTGG-KRWDZBQOSA-N 440.570 0.682 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)nc1 1543554573 DVIIRNMSFGDUMK-AZUAARDMSA-N 437.475 0.945 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1552894457 YBDVHKWRSBCURM-HFUDNHEJSA-N 445.549 0.982 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCOCCCO)cc1 1555990523 ILWDVPBAHGZKQH-KRWDZBQOSA-N 442.476 0.769 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Cl)CC1 1588929630 DUHVGXCJBJXNRO-OAHLLOKOSA-N 425.942 0.899 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595545381 WWXUJDLVGOLOIA-SFHVURJKSA-N 445.568 0.219 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cc[nH]n2)C1 1595723538 XTFZBIOYOIMIGL-HUUCEWRRSA-N 449.537 0.115 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1632240471 PLLQOOHBTNSAAV-KRWDZBQOSA-N 444.536 0.938 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2nccn2C)C1 1636576559 LTIIXFSDKOXSBZ-OAHLLOKOSA-N 431.518 0.747 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3c(cc2SC)OCCO3)CC1 1668062293 BUVGBRZCNUWGCN-UHFFFAOYSA-N 426.520 0.797 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689986410 PDCIIUFACXQGHZ-INIZCTEOSA-N 430.534 0.437 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690715024 BDKUOBCXJJEIFQ-INIZCTEOSA-N 426.587 0.603 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705641178 VVZUDLQHGGTIAP-SFHVURJKSA-N 439.495 0.751 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1705659388 UTZMCWHPPMSUPL-HNNXBMFYSA-N 432.506 0.323 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1705897108 GIFCGHAEQLSWAA-ZBFHGGJFSA-N 440.570 0.586 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1722689805 AEWJRRLYKKEJLU-KDOFPFPSSA-N 426.543 0.197 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)CC1 1740706652 YXPZUQZROQRAPE-ROUUACIJSA-N 444.536 0.391 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1741730632 CSJKKCOJYXYPCF-HNAYVOBHSA-N 439.538 0.625 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccncc1Cl 1741945656 VSBQPHCLKBLKAV-AAEUAGOBSA-N 425.902 0.714 30 10 ICEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748269292 HFPPJUJNHCDBAF-CYBMUJFWSA-N 429.481 0.673 30 10 ICEE C#CCN(c1nnc(C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748804441 HTGDKGZXRJUYOJ-KRWDZBQOSA-N 436.559 0.859 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1748930093 XNASVCZTWBEYPE-CYBMUJFWSA-N 425.540 0.279 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCOC[C@@H]2C)CC1 1748971052 BKSNPCXPWUTWQB-SFHVURJKSA-N 431.585 0.672 30 10 ICEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749449237 JUAQNTJFLYNMRY-HNNXBMFYSA-N 445.911 0.733 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749732528 YIATUXWOBNBZNK-AEFFLSMTSA-N 434.566 0.949 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760514470 GPOMIKLEKZOEID-OAHLLOKOSA-N 430.513 0.869 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760529144 XYHPEJIOROTLTK-HRAATJIYSA-N 447.540 0.273 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1767483033 MPZUNPSSDCCAGG-LAUBAEHRSA-N 432.525 0.965 30 10 ICEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1767501592 FGTWNMLQAWIMGY-UHFFFAOYSA-N 441.521 0.465 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1770728630 RUACWNGQNUTYIA-SJORKVTESA-N 440.888 0.985 30 10 ICEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN([C@@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1C#N 1854978818 ZVUISOUSROPIBW-RTBURBONSA-N 430.530 0.413 30 10 ICEE CN1CCOC[C@H]1C(=O)N1CCC(=O)NCCN(c2snc(Cl)c2C#N)CC1 2060431684 AIYBEYBKBANQOX-ZDUSSCGKSA-N 426.930 0.154 30 10 ICEE CC1(C)OB(C#CC(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)OC1(C)C 2255599497 BSNGSRNNCABIHH-UHFFFAOYSA-N 430.232 0.995 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2269070358 FIFBEIDXQKHFON-UHFFFAOYSA-N 443.313 0.431 30 10 ICEE CC(C)N(C[C@H]1CCCN1C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208090574 FLTKNBXQHHLBQA-IAGOWNOFSA-N 434.346 0.335 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 508496564 ZQNAAQQRYHEEDZ-OAHLLOKOSA-N 437.526 0.872 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 514648710 QLPDKQFYDBLZQA-MRXNPFEDSA-N 440.481 0.802 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1=O 535859738 HHRMUYOVYAMUGM-UHFFFAOYSA-N 448.501 0.205 30 10 ICEE C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 732911640 DBCSYRUSQDUGGS-UHFFFAOYSA-N 429.458 0.864 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 747276414 BLZGYSWXOBSYTG-UHFFFAOYSA-N 448.545 0.094 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C 760324014 XXAOMTQGFJGCAW-MJGOQNOKSA-N 447.561 0.415 30 10 ICEE N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 772319368 YCUSYNWTLYGPCT-UHFFFAOYSA-N 447.451 0.568 30 10 ICEE Cn1nc(I)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1124650068 FFBCBFGOXJCOQT-UHFFFAOYSA-N 427.206 0.708 30 10 ICEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 1124997812 GWNDUSPMKQKBHJ-JKSUJKDBSA-N 428.470 0.887 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1142214992 KRMHWGWKASQOBD-UHFFFAOYSA-N 436.578 0.677 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)CC1 1201396969 IGPMMKKWQAAECH-UHFFFAOYSA-N 437.522 0.404 30 10 ICEE C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 1254487712 COIJXZYWUIWBIL-HOTGVXAUSA-N 441.550 0.541 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286599540 ANMBSSDHVNWAFV-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1286966096 PXBJBALQPUTZSU-AWEZNQCLSA-N 429.481 0.851 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1=O 1298877197 MIBGFQUMMWZLRU-HXUWFJFHSA-N 444.517 0.442 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1300762399 JCXFPXRKNKVDBK-HOTGVXAUSA-N 443.595 0.593 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301509659 KFAXMBVZNLUGBL-INIZCTEOSA-N 428.497 0.014 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNS(C)(=O)=O)C1 1301567068 SHKHHHLEEAITSU-KRWDZBQOSA-N 445.549 0.847 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 1312920678 GYUKGCZSCGVYIM-CALCHBBNSA-N 435.550 0.934 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCN(C)C2)c1 1358901965 BQJINRGLWPUBMM-FDDCHVKYSA-N 438.532 0.905 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)CC1 1359297431 PYFXPYACBWYOMI-UHFFFAOYSA-N 438.941 0.982 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1360348062 RVKGOWWJYFXNHF-HRAATJIYSA-N 448.524 0.330 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)CC1 1507719867 BHMAZPBBECEPNK-CYBMUJFWSA-N 442.496 0.283 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)CC1 1507739557 RMUMTFRGPTYWQL-ICSRJNTNSA-N 444.580 0.859 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1508129872 DOIIKHPSGGCYRN-UHFFFAOYSA-N 433.600 0.910 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1509820717 XOUMGRXJWVKQQD-DBXWQHBBSA-N 434.541 0.768 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519524181 UHNLKNQSLJGQIA-UHFFFAOYSA-N 425.474 0.920 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1539233010 XMKFNKAVEVNDJT-UHFFFAOYSA-N 448.936 0.484 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1540866830 BVQRJTOYVKXYOQ-UHFFFAOYSA-N 448.549 0.774 30 10 ICEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CCN2C1=O 1547606281 STWDINZUCGBKGP-INIZCTEOSA-N 436.476 0.426 30 10 ICEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N1CCOCC1 1548172703 ABKBHZRFNWJLHR-UHFFFAOYSA-N 439.520 0.872 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1585295806 GUZSSVVEPFSDPM-IGGDJGDASA-N 428.445 0.667 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1587990495 YLEATOLFAWFDND-HNNXBMFYSA-N 443.595 0.593 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588024982 QXPMYBCFUVWERG-CVEARBPZSA-N 425.555 0.858 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1588046034 WBVNHTNLPQYWGU-HRAATJIYSA-N 447.536 0.778 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1595562026 LRPAVRMGMFIPNS-JOCHJYFZSA-N 425.537 0.867 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1620018379 DFLGNKQNUUQERV-MMOPVJDHSA-N 433.557 0.245 30 10 ICEE C#CC1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1627357240 JNQVVXGGTZMAOQ-MRXNPFEDSA-N 435.502 0.242 30 10 ICEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1642349032 YVUIWTSNBMGPIV-HXUWFJFHSA-N 441.557 0.769 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 1674912929 LTDTYEFFJANQOB-OAHLLOKOSA-N 448.549 0.826 30 10 ICEE COCCOCCN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1679945341 WGQCWDFZLIVCDW-IAGOWNOFSA-N 425.530 0.736 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 1681994520 XGSKYSYLBBFDHB-UHFFFAOYSA-N 425.599 0.828 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C2=O)cc1 1682226537 LOUQXFGEIDEVBK-AWEZNQCLSA-N 432.424 0.935 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 1685673397 DGIWBGZTRITEOD-UHFFFAOYSA-N 431.312 0.450 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689855882 FEYNDWQPLDJBLK-MRXNPFEDSA-N 431.500 0.985 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1689965868 FLKKGZMMAWMIMS-IAGOWNOFSA-N 447.565 0.763 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690154576 SDHJHLYPZIBERG-JKSUJKDBSA-N 443.508 0.084 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705564149 LZPQMHRXDDHZNA-ZWKOTPCHSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705565737 JZEJXLRGNRGPAV-HOTGVXAUSA-N 447.517 0.318 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705570298 ODXRJSCWWKMESJ-SJORKVTESA-N 436.559 0.973 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1705603599 RIBQGYLJKWRFDQ-UHFFFAOYSA-N 440.595 0.352 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1705624100 QFHKTPPOHMXXJT-OAQYLSRUSA-N 435.492 0.485 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1705844068 VEOBPYPVVXDZMQ-OAHLLOKOSA-N 429.543 0.165 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1705895261 ZSJGSKOUHUDEHZ-UHFFFAOYSA-N 445.568 0.365 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1722453133 ZWAQCXTXZWDHML-CYBMUJFWSA-N 428.584 0.217 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1722724704 DEUHPRZRFYMYIL-HNNXBMFYSA-N 438.554 0.218 30 10 ICEE CS(=O)(=O)CCOCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1731011222 ZFDVTMCEOWQDQX-SFHVURJKSA-N 433.534 0.853 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)NCC(F)(F)F)CC1 1740707391 ABXTYVJNNMSMHA-UHFFFAOYSA-N 430.431 0.459 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1748891973 HMCVVNJWTQKPEA-LJQANCHMSA-N 449.577 0.891 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC 1749159348 SOGADINHPXGHEN-OAHLLOKOSA-N 449.599 0.448 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760186619 DXJZIWKNMCGUSI-ZIAGYGMSSA-N 434.547 0.669 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1760495674 UHZCHTOGULWOGO-CQSZACIVSA-N 439.567 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760551240 YBQUMPUMZDSIPX-QGZVFWFLSA-N 438.598 0.710 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761238027 HNWRWXRMRPDIJT-DLBZAZTESA-N 446.556 0.088 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1770726961 BNWVUZPFPOILPV-DYVFJYSZSA-N 426.474 0.464 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C2CNC2)n1 2247954047 XUHGDNOBOHZPKE-UHFFFAOYSA-N 432.355 0.882 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1 2255821072 AFHTXYXMXPNYEV-KGLIPLIRSA-N 436.318 0.741 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CNc4ccc(C#N)cn4)CC3)C2=O)n(C)n1 509644012 SQHYXLKRRVEOIB-GOSISDBHSA-N 436.520 0.747 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)n1 546220482 XVXLLWIDPZKTJO-KRWDZBQOSA-N 436.538 0.273 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)[C@@H](C)O)cc1C 729263901 FVGAYSPVOPUHRO-INMHGKMJSA-N 425.507 0.635 30 10 ICEE C#CCN(C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 769456192 SKZHGYUMDOQXPR-OAHLLOKOSA-N 428.457 0.894 30 10 ICEE C#CCN(C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@H]1CCS(=O)(=O)C1 774038252 LRLRUKKAXSGANN-SFHVURJKSA-N 445.545 0.794 30 10 ICEE C#CCN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 774196126 PESPPXLFOJYHRU-RBUKOAKNSA-N 433.530 0.927 30 10 ICEE N#Cc1cn(CCC(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c(=O)nc1O 1141756589 ZUCHPDGOZNJJFA-CYBMUJFWSA-N 432.234 0.505 30 10 ICEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)C(=O)OC(C)(C)C 1182977849 XYAWKANHHCIPAH-UHFFFAOYSA-N 439.534 0.786 30 10 ICEE Cn1c(=O)[nH]c(N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c(C#N)c1=O 1184926645 HSBHBXXVTBSXGW-SNVBAGLBSA-N 433.266 0.958 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1286349579 KFJZCWLCFQJXGP-HZPDHXFCSA-N 448.553 0.494 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1286409270 JMZQXTFHWBBMGA-OAHLLOKOSA-N 434.547 0.497 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286788617 ZUXKYXAJIHHWJJ-ZWKOTPCHSA-N 445.568 0.565 30 10 ICEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1291305535 FKQZHDGCCXXUOH-HNNXBMFYSA-N 434.522 0.893 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300465792 QKXUTTUQMMVALH-YVSFHVDLSA-N 425.555 0.884 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1300492202 LWKWUZPXDYGWJT-HNNXBMFYSA-N 426.506 0.452 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300538085 NIUXSLGKIRCMKI-MRXNPFEDSA-N 440.508 0.836 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300657733 ROAPSZKLBNKZNC-FQEVSTJZSA-N 434.518 0.589 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300700601 SSUPPYISSKHACY-RTBURBONSA-N 436.626 0.912 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1303867376 PKUBSIGIVXFNDE-YOEHRIQHSA-N 446.533 0.990 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316345427 PNMRAXATPXNZSG-SJORKVTESA-N 449.581 0.621 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1358948424 CDVVHHZLESYWDT-BXWFABGCSA-N 439.538 0.019 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1358960744 KVMVIGRBDJZZNO-FXAWDEMLSA-N 430.534 0.033 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1358997155 HDIYSXBGYZLEET-QZQOTICOSA-N 435.488 0.390 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1359022442 ABSVCTNWHXXSCO-UHFFFAOYSA-N 441.517 0.778 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNS(=O)(=O)CC)CC1 1359038534 ZLDFJWNIQPIYFN-UHFFFAOYSA-N 448.597 0.224 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359341653 DCYOPNRWRUAGDI-CABCVRRESA-N 442.611 0.914 30 10 ICEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)cc1 1472371579 UEQZHLVGKFQWRH-UHFFFAOYSA-N 439.453 0.865 30 10 ICEE N#C[C@]12CN(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1478508122 WCHUJNKXNJTQJN-BBTUJRGHSA-N 430.530 0.800 30 10 ICEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)cs1 1492674902 JPHZSTOOAWWXGB-MRXNPFEDSA-N 427.531 0.967 30 10 ICEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)CCOC1 1502687225 YWBZJYQIUUDDCR-NRFANRHFSA-N 441.492 0.553 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1508132542 ZJYSHEHEFASKGA-UHFFFAOYSA-N 427.527 0.407 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1508141172 LOTJCBJFCBVEJQ-GOEBONIOSA-N 433.538 0.557 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2cccnc2)cc1 1587181192 SGPBNSWRWPQKCP-QZTJIDSGSA-N 431.470 0.388 30 10 ICEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1589647108 ZBIJDIFNVOFLTE-HMWXGYMHSA-N 428.507 0.564 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595501610 ZNBDDXDLJXNWLA-HNNXBMFYSA-N 436.538 0.914 30 10 ICEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1595895300 JBHTVLHXFMNEPM-OAHLLOKOSA-N 432.575 0.997 30 10 ICEE COC(=O)[C@@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 1617738320 OBPXKXUYYROQJV-HXUWFJFHSA-N 435.502 0.655 30 10 ICEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1620134364 PHJBYFNZMUBNQS-QGZVFWFLSA-N 434.522 0.893 30 10 ICEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644714183 FZGYPZHXCIAMQV-AWEZNQCLSA-N 444.517 0.704 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689986416 PHNJBLMANDMQLX-FXAWDEMLSA-N 431.518 0.772 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(COC)cc2)CC1 1690112198 RFUIYTKNMOMWHM-KRWDZBQOSA-N 446.577 0.838 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2CC2)CC1 1690148418 GHFJDUXTIKIQMC-UHFFFAOYSA-N 435.532 0.756 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1690264983 HZYSUBQQINMUAW-WMLDXEAASA-N 432.568 0.132 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1711961185 HQPCYSPTOLYDDA-OAHLLOKOSA-N 432.506 0.718 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1722372217 RMOULRAJTPLUGR-OAHLLOKOSA-N 442.501 0.540 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740705898 NWSJIBZYOFGJMU-HTAPYJJXSA-N 428.537 0.964 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740959057 ZFGJTMUVEXNICX-ZWKOTPCHSA-N 435.488 0.981 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740963108 ZOAHDEWXNFEBDQ-FQEVSTJZSA-N 445.612 0.764 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)n1 1742699897 HJGVVECVFJXAFP-HXUWFJFHSA-N 430.488 0.831 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1748062872 JAJBNCHWTGOUIK-ZWKOTPCHSA-N 426.477 0.547 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCS(C)(=O)=O)c1 1748689856 IRYNITGNMQSSPR-UHFFFAOYSA-N 446.533 0.517 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1748891716 DWFFYILIBAZFRQ-ROUUACIJSA-N 449.577 0.889 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N2CCCNC2=O)CC1 1749664544 RFEXMGMXBLQZFR-UHFFFAOYSA-N 426.525 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760558679 XAGOADJMZAJAGV-FCEWJHQRSA-N 442.538 0.481 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)CC1=O 1856472418 CPZIFBCTIFZCAL-MAUKXSAKSA-N 437.562 0.580 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1OCCC 1865722733 YUAKIDNYMRSUOG-OAHLLOKOSA-N 426.473 0.870 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 512708216 RGFVKLCSEMCEND-RTBURBONSA-N 434.566 0.677 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 512713808 HJINOWBUYYZKKH-IBGZPJMESA-N 448.589 0.842 30 10 ICEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n(C)c2)C1 732155748 DRIXQCJLFJSZEE-ITZAQCPESA-N 449.533 0.702 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)ccc1F 733974416 RCQBTDRWHLKMAQ-UHFFFAOYSA-N 431.555 0.863 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 742393308 KKRNGPMZCMIRFG-UHFFFAOYSA-N 431.499 0.477 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCOC 783941115 AUCASVAFYASTOL-UHFFFAOYSA-N 441.538 0.609 30 10 ICEE Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 795798176 ZBGMJPRHCBVTON-UHFFFAOYSA-N 429.458 0.347 30 10 ICEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 799253086 OEFMGFNLALDTSG-QFBILLFUSA-N 425.489 0.742 30 10 ICEE CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802634049 NQOAHYTUCFAHMY-ZBFHGGJFSA-N 425.559 0.491 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)CC1 1286472255 RJCBLSNIFIMJGH-OAHLLOKOSA-N 426.612 0.929 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286484425 KGXZYXADPKRUTR-IBGZPJMESA-N 445.593 0.720 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1286609329 ZWCKQFPRLULBHZ-SJORKVTESA-N 443.570 0.819 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(=O)NCC34COC4)CC2)cc1 1288292120 ISRZFZVGXDVKSA-UHFFFAOYSA-N 432.502 0.076 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1300489000 YMLLFCZRNGYXJH-KRWDZBQOSA-N 444.517 0.809 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1300889084 AZILKLMLAJXTPE-FCEWJHQRSA-N 432.525 0.333 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@@H]2CCOC2)cn1 1358969576 RRMJVQJWYBVZLW-DLBZAZTESA-N 445.549 0.362 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1358978774 UGXHSLUJEGIMGP-GOSISDBHSA-N 435.513 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCCC)CC1 1359044381 DPBNGKCGMFKMQA-MRXNPFEDSA-N 429.525 0.111 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1359333834 LPMNXFVDNVJPMR-UHFFFAOYSA-N 432.550 0.970 30 10 ICEE COC(=O)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1466481202 XJAYMFNCYLEJTR-CRAIPNDOSA-N 441.488 0.859 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1467814210 HOKJILGWPWOINN-UHFFFAOYSA-N 432.546 0.053 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1467814965 PRPPSUSIDMWYED-OAQYLSRUSA-N 433.509 0.036 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507631017 AZBMUKMOJMGHTH-ZACQAIPSSA-N 434.566 0.198 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508080641 QFQCDZLHFJNXEF-AEFFLSMTSA-N 428.541 0.528 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1518478779 DBDNRVMVEGDKSM-KRWDZBQOSA-N 426.477 0.465 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539751517 ORAHLXNSSYAJER-LSDHHAIUSA-N 434.584 0.642 30 10 ICEE CSc1nc(O)c(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1C#N 1584124092 RBSDNYMITVOTLN-UHFFFAOYSA-N 427.486 0.885 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588006013 ADDUCJZXIUORJX-IAGOWNOFSA-N 434.566 0.674 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588049244 CTTKSXWLBGEWHR-KRWDZBQOSA-N 442.545 0.801 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588055790 ZFHPVXWCGJODML-HZPDHXFCSA-N 433.538 0.459 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1588139215 NPYCNSMTLKDNGO-INIZCTEOSA-N 437.591 0.970 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)COC)CC1 1595562413 YAUWHQGKWKZXBM-UHFFFAOYSA-N 432.550 0.964 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CC#CCN2C(=O)c3ccccc3C2=O)C1 1620553498 NQPUUWZFQPTYLK-UHFFFAOYSA-N 438.484 0.707 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1644285631 TWCIMFOBSZSNHP-OXJNMPFZSA-N 440.566 0.778 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1689928296 LEOORLWXIYLGTA-GOSISDBHSA-N 427.553 0.777 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1690131089 UCRDUHUKCDNWMG-UHFFFAOYSA-N 428.562 0.942 30 10 ICEE COCC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1697713689 YMVGPGLKISNLFH-KXBFYZLASA-N 444.492 0.810 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705568434 NNDHVUNEXRRTFK-ZWKOTPCHSA-N 448.593 0.512 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1723953444 DVCDNDWTNAXBHY-QWHCGFSZSA-N 433.494 0.212 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740627361 PQEIBQJFBRJFOO-JKSUJKDBSA-N 444.579 0.234 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1741104490 KSIDESYAZUFZRV-ZCNNSNEGSA-N 440.504 0.698 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749268770 GWIPKZJVUOFFLF-ZDUSSCGKSA-N 437.975 0.404 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCS(C)(=O)=O 1760173027 HIVOYFSIJBCZMI-UHFFFAOYSA-N 440.547 0.479 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1760510151 IBJIJDYZFKNOPA-HNNXBMFYSA-N 427.527 0.183 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760515257 UIAAZJDSOSOEEE-AWEZNQCLSA-N 430.469 0.086 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1nncn1C 1760548635 MDPNRULFDDGQMX-OAHLLOKOSA-N 448.553 0.585 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760643102 PDRBGNYHOOOHSS-DVSFIDLUSA-N 427.509 0.862 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1761193233 HHOSXGXYEAIRMZ-HNNXBMFYSA-N 441.492 0.468 30 10 ICEE CCc1nnc(N2CCN(C3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764921863 DABJLRIYXYXJCI-FMQUCBEESA-N 429.525 0.668 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1771537032 GNOFEKQXRNRIKU-BBRMVZONSA-N 448.480 0.687 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2C[C@@H](C#N)[C@@H](c3ccccc3Cl)C2)n(C)c1=O 1849859354 DODFKSDJYIZPSV-OCCSQVGLSA-N 426.864 0.853 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1C 1855051647 GURQWIWAGXUTNT-MRXNPFEDSA-N 434.518 0.741 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)CC1=O 1856791497 CPABDVJSNATALY-CZUORRHYSA-N 430.429 0.988 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)CC1 1890098553 NOVAOYYURUJWFN-UHFFFAOYSA-N 441.576 0.769 30 10 ICEE Cc1nn(C)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824305 FQACEZHVIREKIV-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE C#CC[C@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O 2297611021 REWGHOIZHYUXEH-QGZVFWFLSA-N 430.486 0.075 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430988651 MPWJJUDHDYHNTC-UHFFFAOYSA-N 449.536 0.762 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]3COCC[C@@H]32)CC1 464848139 FOJKNQHJYLWECE-OALUTQOASA-N 432.546 0.892 30 10 ICEE N#CC1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN(Cc2ccccc2)CC1 482695206 QEEICDFRAFBZKP-OALUTQOASA-N 444.557 0.697 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 502373063 GOLRKWJKAVUAGX-SFHVURJKSA-N 427.548 0.458 30 10 ICEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546198365 VPKCAKOVIKXBME-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE CC1(C)CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCOC2)O1 587647534 IYCMDGMTCDDAAK-JOCHJYFZSA-N 427.505 0.835 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)C1=O 679734440 KPZSUWCRIPKAGX-HNNXBMFYSA-N 434.474 0.396 30 10 ICEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)NCc2ccco2)n1N 1083949779 WWHCLIQRADWNHP-UHFFFAOYSA-N 433.498 0.245 30 10 ICEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 1125064709 NQQHRJAEARNBMF-LJQANCHMSA-N 439.490 0.836 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC 1286299906 ZUTQHXHPAFOSFG-CABCVRRESA-N 431.584 0.310 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1286466877 KQWQXNGTZTWIBH-INIZCTEOSA-N 439.563 0.807 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286785221 HSWFEVUWTYMFJZ-CVEARBPZSA-N 444.540 0.348 30 10 ICEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300422039 DJFAKJPASJDBPE-INIZCTEOSA-N 426.452 0.557 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300465344 LVMYKHWQLUPWGZ-IRXDYDNUSA-N 436.582 0.192 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1301298080 YGLHNPQJVCOFSM-MRXNPFEDSA-N 434.522 0.380 30 10 ICEE COCCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(O)nc1=O 1302942829 NSDFJONCPKUZOP-CYBMUJFWSA-N 445.863 0.790 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1358966579 ROYLWNVNFWEDES-MRXNPFEDSA-N 437.566 0.842 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)CC1 1476711883 WIBKBVCHSGKKLQ-UHFFFAOYSA-N 443.551 0.601 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nn1 1478855263 HYMBKYPJWOWTEA-UHFFFAOYSA-N 432.506 0.535 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(CCOC)c2)CC1 1507739580 RUOBWQRHGXBKHK-LJQANCHMSA-N 441.536 0.639 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1509734972 CMZDHFPVKUBDBB-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1COCCO1 1510185340 CTEMODZUCBDIMQ-GOEBONIOSA-N 426.543 0.824 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cnccc3C#N)CC2)cc1 1531664422 GYURGOCCTVQHSJ-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1538539705 LECDRIFWQGLMLM-VBQJREDUSA-N 443.572 0.688 30 10 ICEE C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539087048 QSIAWNKVCOPZPA-HTAPYJJXSA-N 444.536 0.269 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1539706837 VFWGMXSVUUKMKD-QAPCUYQASA-N 427.527 0.183 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540861868 JQBXZARHECHBCZ-INIZCTEOSA-N 431.541 0.557 30 10 ICEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1584886427 FSIODWFGNZVRCD-HUUCEWRRSA-N 442.563 0.482 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1584999969 HNZGPYONZMUWST-UHFFFAOYSA-N 445.539 0.467 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1588084236 OMRAEKJMVITLAP-MRXNPFEDSA-N 438.623 0.789 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1588293344 XGOKMMQCZHRWPW-FQEVSTJZSA-N 432.502 0.725 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1588574871 UXJRDLKDFYMVKP-KRWDZBQOSA-N 427.509 0.732 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCc2ccco2)CC1 1588732601 DIMPYXNNUFHCEU-UHFFFAOYSA-N 448.487 0.590 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1588800468 HXIWWKNRSCJQLX-QGZVFWFLSA-N 429.550 0.519 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1595602695 OSXLSJXIMCRIRU-QRWLVFNGSA-N 434.497 0.262 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1618866517 KAIYTXLURUJOJB-QGZVFWFLSA-N 447.517 0.877 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1685243960 GEIVBYGFQQRVCR-IBGZPJMESA-N 432.546 0.720 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1690047665 WONWSXHFJGNZQT-INIZCTEOSA-N 429.502 0.553 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1OC 1690076863 CLNQPQOGINNATP-IXDOHACOSA-N 441.554 0.122 30 10 ICEE C#CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690186985 YHXOZNPGDLZPAO-FXAWDEMLSA-N 437.566 0.638 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1690715947 YNVBFFVXQLMZBJ-CQSZACIVSA-N 447.583 0.248 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690725495 RXJCGOKFPNMQFM-DLBZAZTESA-N 430.534 0.580 30 10 ICEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691018806 LKESYMLWLKXKRD-YHCMSDNUSA-N 436.538 0.940 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694366922 GFHTXXFFHBOWJB-KIJUOZEOSA-N 445.524 0.948 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705934545 PASOGIAVCWFPTE-UHFFFAOYSA-N 431.584 0.618 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)CC1 1722437982 RLQUBIZXNZVLLH-UTKZUKDTSA-N 435.594 0.877 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730945897 ITTINKIDBWFRRD-MNUAXYBXSA-N 435.460 0.432 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1740679806 KHXRSDPIOAQEBW-IIBYNOLFSA-N 447.561 0.808 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1748962821 RSZFANVQAIKHRH-IRXDYDNUSA-N 432.550 0.725 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O 1749137367 XVMHFLIUAUWRRJ-YJBOKZPZSA-N 425.555 0.863 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749660400 OJJNRQFFXCPXMS-WMLDXEAASA-N 440.504 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccn1 1749668746 DOWBJDMIMSXRGV-MRXNPFEDSA-N 432.550 0.946 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749683632 ZYVFJHVVNJCWCP-YKTARERQSA-N 449.552 0.859 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1760193664 LLRKDWDSIYIHHN-QGZVFWFLSA-N 434.566 0.693 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1760205738 ILFROFILYJASEC-RTBURBONSA-N 432.594 0.279 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1766723551 TVCCXPFWRXBWLH-JKSUJKDBSA-N 446.489 0.870 30 10 ICEE C[C@@H]1CN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853922203 NJMCKGUIWBYVCH-APWZRJJASA-N 432.546 0.974 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C(C)C)CC3)OC2=O)CC1=O 1855149436 NCHDBAMIQSFGAX-HOTGVXAUSA-N 427.523 0.819 30 10 ICEE COCCCn1c(C(=O)NCC#CCN2CCCCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1889317512 XAXFNZZQJPOCNU-UHFFFAOYSA-N 443.548 0.684 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(CC(=O)O)Cc2ccccc2)n1 2269070095 BPRXPHGGNMRLDK-UHFFFAOYSA-N 443.313 0.431 30 10 ICEE C#CCN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[C@H]1CCS(=O)(=O)C1 111191346 RNHJYFDAXOUUKV-SFHVURJKSA-N 435.571 0.936 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 488860810 XFAWVGOZZVSTJZ-ZIAGYGMSSA-N 446.526 0.358 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCC(=O)c2cccs2)CC1 532469102 XQOHQXYPQPNJJG-UHFFFAOYSA-N 432.527 0.925 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 555255543 LJSSHUFGGLRUKN-BXWFABGCSA-N 441.554 0.571 30 10 ICEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)c1 603797639 LGBBTYVKZSKFJW-UHFFFAOYSA-N 440.569 0.578 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CCN1C1CC1 732707248 XUHHDJCRHMJARV-HNNXBMFYSA-N 435.481 0.503 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C(=O)C1 741432317 PNPLRGGZAWKMJZ-UHFFFAOYSA-N 436.490 0.584 30 10 ICEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 744495871 RZWZIEIGNSGYNP-LBPRGKRZSA-N 431.474 0.496 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCc2nnnn2C)C1=O 771541389 KKIVGYVASBNPNO-CQSZACIVSA-N 430.494 0.479 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1 816747299 HNPOTGYMSAFIAN-KXBFYZLASA-N 430.482 0.821 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 816923383 GOXPDPDKJJDLKA-KYFVDPIZSA-N 438.456 0.605 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)s1 917769525 CNXWVDFLYFJKPL-UHFFFAOYSA-N 447.586 0.035 30 10 ICEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1197929221 FFKUCTNDMCYSJO-UHFFFAOYSA-N 436.534 0.935 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)CC1 1286483528 OTOHBVQCNNFPFL-IBGZPJMESA-N 430.553 0.599 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(OC)CCOC2)CC1 1286485212 FTMACLNCJUFKQY-NRFANRHFSA-N 432.525 0.188 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286781674 XATZATWGBDJUJD-QGZVFWFLSA-N 433.557 0.267 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1286831452 GAHLJCGLNCHZPJ-HUUCEWRRSA-N 431.584 0.755 30 10 ICEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1291832825 IZSGPHCXHMOAMQ-MVZUJROASA-N 444.540 0.150 30 10 ICEE CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295073673 FSIYVCRUIDQROH-MRXNPFEDSA-N 441.540 0.501 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1301492067 WPQSQEITRBCHNO-UHFFFAOYSA-N 441.536 0.466 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1301515235 SELVPHMBRNLGET-HNNXBMFYSA-N 428.493 0.835 30 10 ICEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1316035580 SUVDKOQPHKXNTG-OAHLLOKOSA-N 448.553 0.518 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC(C)C 1358992534 OJUNDGFADBRCCS-UHFFFAOYSA-N 446.533 0.797 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C(C)C)CC1 1359029030 MMNXFPANZUZTEJ-UHFFFAOYSA-N 438.536 0.843 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1469991852 PEMKEYNOZVQROK-INIZCTEOSA-N 443.460 0.053 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1471728140 HLYXDDROCMLCTH-HOCLYGCPSA-N 433.490 0.161 30 10 ICEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1475716996 LKUSTYCBGBWSOV-UHFFFAOYSA-N 433.530 0.658 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CN(c4ccncn4)C3)CC2)cc1 1479153950 FPTDTMYKDFOBFG-UHFFFAOYSA-N 427.490 0.253 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1507564451 PSOLFFMOXZFGQP-KRWDZBQOSA-N 434.522 0.965 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508141605 VZBMUONRSMCBRC-INIZCTEOSA-N 433.538 0.641 30 10 ICEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539096085 QCBAMGYUEFHJSC-GOSISDBHSA-N 446.552 0.687 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1541926862 ZQOISHOXKIGSIO-HIFRSBDPSA-N 437.570 0.933 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1548310900 UYSJKDUAWHXTDJ-FBMGVBCBSA-N 436.538 0.943 30 10 ICEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1561574588 XVFIMTPNNXHVQC-QGZVFWFLSA-N 446.547 0.884 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 1585381318 MFYROBHKIVFEED-SFHVURJKSA-N 449.573 0.783 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588049195 BPJUUVPQBITTMD-OAHLLOKOSA-N 442.501 0.809 30 10 ICEE C#CCN1CCC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1596610817 XUMQSHAFPGEHQR-IBGZPJMESA-N 434.562 0.430 30 10 ICEE CN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1617615818 GBGPCYRFIXASMN-GJZGRUSLSA-N 449.512 0.403 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OCC 1643589401 KNTCMVKPSAXNKU-IUODEOHRSA-N 443.909 0.877 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)C[C@H]1C1CC1 1648061907 BSANHTAATRMDOS-INIZCTEOSA-N 439.559 0.931 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1689977928 HHCAUTKRAAZGJG-INIZCTEOSA-N 437.566 0.860 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)NC 1694125933 FQICNNWIRHTJMZ-GJZGRUSLSA-N 447.569 0.718 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562783 KEGYNFDKGWYHDJ-KRWDZBQOSA-N 426.502 0.532 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1705621489 FDQJKQYRWIUNRB-WBVHZDCISA-N 440.570 0.233 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1705934106 BESAQDCSNPHFGN-OAHLLOKOSA-N 438.554 0.135 30 10 ICEE CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709556225 ZHCFWHSOGQNQRD-NYAYQYMKSA-N 443.508 0.761 30 10 ICEE CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710701781 CIEHNXNBGMQFPC-HMWBCQRISA-N 431.497 0.303 30 10 ICEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1712426741 YAKSEOKBOVVQTN-KDURUIRLSA-N 428.493 0.868 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1722321418 FGWSWWPTGMWSED-INIZCTEOSA-N 436.524 0.983 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722360166 ZQCQGLYWLJSPIJ-AWEZNQCLSA-N 428.580 0.780 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1722367804 XGKXHHRVJBLLDL-JSMHICHCSA-N 429.568 0.481 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722692532 PTOUBEVRIGAVKJ-OAHLLOKOSA-N 438.554 0.220 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1729700030 OUYBDTZCRJVYSW-UHFFFAOYSA-N 435.492 0.990 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740694866 WGSKTMKOIQZOHB-RBUKOAKNSA-N 428.585 0.010 30 10 ICEE CCCN1CCCN(c2nnc(COCC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1745736658 RZEOWNNEALIDOG-FMQUCBEESA-N 445.524 0.790 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)CC1 1748979185 XNMLLVXXXNREGU-FCHUYYIVSA-N 433.553 0.879 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)CC1 1748979189 XNMLLVXXXNREGU-VXKWHMMOSA-N 433.553 0.879 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748994210 UPNTUNXOVWYHFD-HXUWFJFHSA-N 437.548 0.514 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@H]21 1749037805 JQINLVYVJDCGGS-OAGGEKHMSA-N 425.580 0.966 30 10 ICEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c1OC 1890475806 XXRGOSCYDVXYLT-CYBMUJFWSA-N 432.458 0.911 30 10 ICEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N=c1nc(C#CCCO)[nH]s1 2110063286 HAUMTDLQFZBAGS-UHFFFAOYSA-N 434.499 0.512 30 10 ICEE C[C@H](C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)n1cnc(C#N)n1 462113662 UARXDXNGNWBRQS-CYBMUJFWSA-N 433.494 0.436 30 10 ICEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(CC#N)n1C 477040876 QSEPLJHHZKCCOZ-UHFFFAOYSA-N 437.551 0.928 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCNC(=O)CC1 574066999 ZGVOGHCCZPNQIR-UHFFFAOYSA-N 446.533 0.478 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 603576516 YQOUFZLFRDFIQZ-ZACQAIPSSA-N 436.534 0.824 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 728589405 FJWUUOWCKUARHE-UHFFFAOYSA-N 432.424 0.243 30 10 ICEE C#CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[C@H]1CCS(=O)(=O)C1 746590524 LBLDNALEQDBYHP-YCRPNKLZSA-N 429.498 0.634 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSC)c2=O)cn1 751837384 QRNNTAJPMJHXAF-UHFFFAOYSA-N 447.586 0.241 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C 760323994 XXAOMTQGFJGCAW-HKUYNNGSSA-N 447.561 0.415 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767874666 ZDQODOJUSBDGKB-CQSZACIVSA-N 448.570 0.591 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 918817319 NRAIDCWDMXSCOL-UHFFFAOYSA-N 442.497 0.559 30 10 ICEE C#CCN(C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1116463005 RPQGKTDSHHQGAU-GJZGRUSLSA-N 440.547 0.774 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OC)c2ccc(OC)c(OC)c2)C1=O 1124657603 XZLNYSWMMVGTQC-ZDUSSCGKSA-N 433.417 0.401 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1154958635 HRKZNTKKHKOMME-IEBWSBKVSA-N 434.562 0.430 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 1196677018 DMRJLMYWCQVTAD-UHFFFAOYSA-N 449.533 0.691 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1286467998 XZOIZAKHFJQWLK-KRWDZBQOSA-N 439.538 0.044 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC2)CC1 1286495342 YZSMXOMWWZKCIE-RDJZCZTQSA-N 435.550 0.183 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1286549405 VEUZQCMIISFKLG-PKOBYXMFSA-N 446.552 0.790 30 10 ICEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1298047073 HGYXKFJRERLWED-QAPCUYQASA-N 440.545 0.733 30 10 ICEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300362382 OTYXGXFPAUCWRD-QGZVFWFLSA-N 427.513 0.311 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1300506063 MBCUGLILJMRPAI-DLBZAZTESA-N 425.555 0.335 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1300762398 JCXFPXRKNKVDBK-CVEARBPZSA-N 443.595 0.593 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301499587 CJYXHYLTYFTOIZ-CVEARBPZSA-N 438.554 0.089 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1358977859 YFWIZMKGTAKOKP-SFHVURJKSA-N 425.514 0.895 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359048212 IUDRGTVLCUKJHU-UHFFFAOYSA-N 442.611 0.691 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1359132801 FUJNALGYHVXARU-HNNXBMFYSA-N 426.543 0.234 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359329254 CWTITBVKBSRAJJ-KRWDZBQOSA-N 441.517 0.631 30 10 ICEE N#Cc1cc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ncc1Br 1458234147 TYBHBXZHYHUKJE-GFCCVEGCSA-N 449.352 0.355 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 1464362011 DYUZWKXVPMKORF-UHFFFAOYSA-N 426.545 0.584 30 10 ICEE CN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1503421240 ANYVRQLNRLUBCL-INIZCTEOSA-N 447.521 0.602 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCOC1 1507617062 QMTHCVYERJGEMD-DLBZAZTESA-N 441.554 0.124 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507633428 DNOCZZANABEJTD-SFHVURJKSA-N 425.518 0.672 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)nc2OC)CC1 1507716980 XLTMCHRCMBPZLK-UHFFFAOYSA-N 427.509 0.632 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1508086918 MPMXTFGKVXWGHA-INIZCTEOSA-N 425.493 0.915 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1508151667 FQOQWSBLUOAXDI-CQSZACIVSA-N 442.611 0.914 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1521128593 FCQLFZQYJRYEJH-CVEARBPZSA-N 432.506 0.489 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nc(S(C)(=O)=O)ncc2C)c1 1526861099 WDWPDNDFWYQDRX-UHFFFAOYSA-N 442.497 0.675 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539200572 KXLFSRCMNYXGJN-KRWDZBQOSA-N 445.549 0.231 30 10 ICEE C[C@@H](CC(=O)N1C[C@@H](CN(C)C)[C@H](CN(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557930777 OXHIGCRFBZGDAO-GVDBMIGSSA-N 435.594 0.702 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 1565590316 WRMHVTFIOKJKLB-OAHLLOKOSA-N 437.591 0.325 30 10 ICEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)S(C)(=O)=O 1615619356 IBLSZXNWIRCSDM-KRWDZBQOSA-N 445.549 0.800 30 10 ICEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1620052242 HGSZLYJKHNPUAE-LJQANCHMSA-N 440.504 0.917 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 1633204969 ODBISLORZCWKJY-ZIAGYGMSSA-N 435.593 0.732 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 1668884885 ZYBFLRPQUSGPMM-UHFFFAOYSA-N 437.478 0.269 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689985721 AHEORLCQOSUQSO-OAHLLOKOSA-N 437.547 0.402 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1689988398 ODNVBMHEATVPAE-MRXNPFEDSA-N 447.590 0.411 30 10 ICEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1=O 1696886062 WOQGNRMEFBIIIN-JOCHJYFZSA-N 437.504 0.590 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1705509587 IAEWISGFQPOODJ-ZWKOTPCHSA-N 438.598 0.850 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705563694 CRFAZHQKCCUFIY-QGZVFWFLSA-N 427.534 0.887 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705565094 FXBAXCHIECGPBI-GUXCAODWSA-N 435.550 0.671 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)CC1 1722438018 YDZVHWCEDUNRNF-OAHLLOKOSA-N 427.475 0.869 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722459069 BORZDVUAVOYJFT-OAHLLOKOSA-N 437.591 0.653 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1722726456 FPYZGDMNMQGVMA-INIZCTEOSA-N 448.553 0.338 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1729729993 TYLORRHZQALTHC-ZWKOTPCHSA-N 425.493 0.818 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1740566588 IFJLJKOTCJKDKX-AWEZNQCLSA-N 433.538 0.348 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@@H]2C)CC1 1740690002 MFAKXGQBUNSILG-SFHVURJKSA-N 438.536 0.401 30 10 ICEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740792466 IQDXNSMCDQVXIE-UHFFFAOYSA-N 431.545 0.795 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)NCC)CCC1 1740899132 GXZDMQFVKDFCQA-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1748671632 LZOKSYMWAFSHFH-YOEHRIQHSA-N 434.522 0.521 30 10 ICEE C#CCSCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1749047824 DJBWBAXUOQRZDF-UHFFFAOYSA-N 448.593 0.449 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749669184 ICIZIMFELYPLGQ-GOSISDBHSA-N 447.584 0.465 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749669708 JLPNAEXUHYXPOV-HUUCEWRRSA-N 431.497 0.295 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)CC1 1760262511 ZVJHVEFXTOWVLS-LJQANCHMSA-N 434.610 0.811 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762308895 JNXYNVZVJUWHDB-FBMGVBCBSA-N 431.497 0.560 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1772887368 JSEMHVQZCNHOLO-HDICACEKSA-N 448.549 0.996 30 10 ICEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856838472 LLLNLNACPRQJSH-ZBFHGGJFSA-N 438.481 0.191 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H](CN)CO)c(Cl)c2)OC1(C)C 2282874450 AMVRVZWFXDWJJI-JTQLQIEISA-N 425.143 0.891 30 10 ICEE CC(C)n1cc(/C=N/Nc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cn1 20910816 CNYVDKHJGHUZLX-NGYBGAFCSA-N 443.497 0.463 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)CC1 512152341 BUIJWPGAKFUUAH-KBPBESRZSA-N 437.570 0.693 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCC 514329440 CYFSENQQPFIUES-UHFFFAOYSA-N 441.509 0.905 30 10 ICEE CSCC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 732155833 GYSGTCVLQYGRIL-GVOGQVFTSA-N 448.545 0.926 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 733149112 YRAJQUDASGBZGC-LJQANCHMSA-N 432.546 0.123 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ncn(C)n2)cn1 780322070 GNIBBYSHTVYXKR-DZGCQCFKSA-N 447.569 0.792 30 10 ICEE C[C@@H]1CN(C(=O)c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1136386448 FOIQZWCFTGYRCX-HUUCEWRRSA-N 439.472 0.776 30 10 ICEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1212406649 BOCMCASFZGXTGI-CABCVRRESA-N 428.555 0.977 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300403378 KOHSMAQIAFBLQP-AWEZNQCLSA-N 434.522 0.937 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1300763512 QGAJGIBCQYAYRA-NVXWUHKLSA-N 434.591 0.723 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1 1302888742 XATGOBAXZWJLPL-UHFFFAOYSA-N 435.527 0.997 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 1303805013 BGJDOSFTXDFDIF-HOTGVXAUSA-N 440.618 0.653 30 10 ICEE C#CCN(C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1313253219 ZBKZBLMOQHNWNW-DNVCBOLYSA-N 429.539 0.844 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1358930305 SCYVRMBUHUDGFR-MLHJIOFPSA-N 437.566 0.743 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)CC1 1359039101 WYGPEGAOCNDOKN-QFIPXVFZSA-N 427.505 0.772 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359299725 MDHTTZKCSFFGHN-HNNXBMFYSA-N 428.472 0.392 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359301008 OXTBTOPKEYDQBA-OAHLLOKOSA-N 440.570 0.335 30 10 ICEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O)C(=O)OC(C)(C)C 1445496423 TXMKSEYFVAWKJK-KRWDZBQOSA-N 430.505 0.576 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@@H]1CCOC1 1517067688 RUDKQKCCANQRCO-OXQOHEQNSA-N 447.517 0.503 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1539118288 LECDRIFWQGLMLM-JJRVBVJISA-N 443.572 0.688 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539514482 QPGPFCPYMJWYMR-JLTOFOAXSA-N 445.549 0.410 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)s1 1540742830 PMSAKDXKQUYRIY-UHFFFAOYSA-N 435.531 0.725 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncn(C)n2)CC1 1588968771 QALBBLYKHKPJAY-WMZOPIPTSA-N 442.524 0.145 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCC(O)CC1 1612599050 AMNFOKQHWHFVCP-INIZCTEOSA-N 425.541 0.810 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCC(=O)NC(C)C)CC1 1643369262 AIFDPEFASLJCHV-UHFFFAOYSA-N 438.575 0.529 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C)c2I)CC1 1644281917 PZNXLXGXBPEDFO-UHFFFAOYSA-N 447.298 0.825 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)CC1 1669953415 RNGTZSKKBXIXSB-UHFFFAOYSA-N 442.505 0.352 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1681598143 OPYSHOQYXQYJLU-IBGZPJMESA-N 429.569 0.506 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1690644347 FVTSSPWKRDOOGJ-MRXNPFEDSA-N 436.542 0.305 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1698318541 CCSBHOVSIUFBQN-HUUCEWRRSA-N 432.462 0.480 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1705568796 VKEBKQMJKDNNGK-SJORKVTESA-N 438.550 0.985 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1705581287 ZTIHELWRULFXIZ-OAQYLSRUSA-N 439.545 0.789 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705781069 OUPZJLLVEOAYMO-DZGCQCFKSA-N 431.584 0.725 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 1705819909 WYDFFYOBRKZFKW-INIZCTEOSA-N 438.554 0.388 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1705907771 XDGQMKWDKWZLLR-UHFFFAOYSA-N 431.522 0.274 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1740622265 BHZVLTAJYDKCTO-QGZVFWFLSA-N 430.534 0.801 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1740801500 BAMTTXYZZPCDHS-GFCCVEGCSA-N 440.979 0.113 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1748817443 KVHJZZJOHACJRW-WMZOPIPTSA-N 447.536 0.951 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749677798 LDQSVPAJJJEMRM-DLBZAZTESA-N 426.525 0.689 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1750075572 GBAPDOMZXLRWIB-NVXWUHKLSA-N 433.538 0.845 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CC3CCC(F)(F)CC3)C(=O)C2)C1 1856842835 YFPMOSWWRNTRSP-HNNXBMFYSA-N 432.493 0.800 30 10 ICEE CC#CCN(CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2300544139 KXHKOIBFMBPAIQ-BFYDXBDKSA-N 441.525 0.704 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 492356073 YGIAJVKIJABJEO-IBGZPJMESA-N 434.562 0.595 30 10 ICEE N#Cc1cccnc1N1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 532756971 GQBXCMLVTWGKMX-UHFFFAOYSA-N 442.545 0.472 30 10 ICEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)n1 544756869 YDIFTNJMEBMYHH-UHFFFAOYSA-N 431.460 0.584 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cnccc2C#N)CC1 581624837 CUBCDLJJIBMELM-HXUWFJFHSA-N 426.477 0.217 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 728532578 CFERTQHFRGHFIZ-FQEVSTJZSA-N 448.589 0.582 30 10 ICEE COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732708551 TZZYJFBJAIBZQQ-QGZVFWFLSA-N 427.461 0.117 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 767680762 NYPGRFCABKYCSO-JCGIZDLHSA-N 435.502 0.938 30 10 ICEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 771264273 BUDFEFXYJWYGQD-OPAMFIHVSA-N 425.489 0.969 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774172248 NVLDOKLIRFSBFU-QGZVFWFLSA-N 439.559 0.803 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 917925816 PEEFPANXHGCHBN-HNNXBMFYSA-N 448.588 0.528 30 10 ICEE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](CCCNC(N)=O)(C(=O)O)[C@@H]2C1=O 1088615839 APQGAVYIACDILP-DOWNOZBLSA-N 441.488 0.876 30 10 ICEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1134429214 SNMQHAITDYNLOC-DHSIGJKJSA-N 425.532 0.437 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)OC)cc2OC(F)F)CC1 1215200725 LKKHFGWAPQMNSD-UHFFFAOYSA-N 446.432 0.692 30 10 ICEE COc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1300327851 GCHAISZMIQJXMM-QGZVFWFLSA-N 434.460 0.902 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1300672071 UZIXWHRQBSOJQK-CQSZACIVSA-N 435.497 0.742 30 10 ICEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1322844272 ADLFJMMDMURVEF-MRCUWXFGSA-N 441.488 0.938 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1358994627 SJTNOUNSHVUNOL-SFHVURJKSA-N 445.549 0.050 30 10 ICEE C#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1473539662 MFCNGFKWRQMQKY-AWEZNQCLSA-N 429.901 0.646 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccn(C)n2)CC1 1507737060 XPYQXWJPJOIMIY-JOCHJYFZSA-N 441.536 0.678 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(CCOC)c2)CC1 1507739579 RUOBWQRHGXBKHK-IBGZPJMESA-N 441.536 0.639 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1521128502 DDNXYCNZQUWSLS-MRXNPFEDSA-N 449.562 0.447 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1539200328 GYOWWPBGAUJWHM-OAHLLOKOSA-N 448.549 0.950 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1540861830 IDSXYELDUBOWHE-MRXNPFEDSA-N 443.895 0.892 30 10 ICEE CCOC(=O)CON=C(C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1)c1cc[nH]n1 1557482539 QLIISOCOYIYVRZ-RBUKOAKNSA-N 441.488 0.805 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3nc(COC)nn3C2)s1 1566301871 CBSYBKUYNILEDJ-LBPRGKRZSA-N 425.536 0.624 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(SC)n2-c2ccc(F)cc2)CC1 1588198950 CFFNMPGRRSVCJY-UHFFFAOYSA-N 437.522 0.959 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1593636150 IDEMWNSVQWPANV-TVXGVJEUSA-N 425.555 0.784 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnnn2CC2CC2)CC1 1594192733 KJINQYOKIHHHFB-CYBMUJFWSA-N 435.558 0.736 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1597699090 GOPRZJFJLLNLKG-CXAGYDPISA-N 447.558 0.835 30 10 ICEE CN1CCn2c(CNC(=O)C3CN(c4ccc(Br)cc4C#N)C3)nnc2C1=O 1633646728 JLFALIXWJWLFPH-UHFFFAOYSA-N 444.293 0.750 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1638311291 HFVRMRCSGJIZIY-UHFFFAOYSA-N 449.515 0.560 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)CC1 1665750952 SSBNHHHSUNPTGH-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690113592 OEGQZNPLOUJAIW-HTAPYJJXSA-N 430.553 0.600 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC(=O)N(C)C)CC1 1690142375 MQTAEQJFMFRUEU-UHFFFAOYSA-N 426.525 0.513 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1690465166 UFQJIKILGCAYKB-INIZCTEOSA-N 425.555 0.832 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1705551164 IEQRRUKSGDRCKP-MAUKXSAKSA-N 431.518 0.857 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564276 BNRIXZYBWSMCNM-HZPDHXFCSA-N 428.580 0.853 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1705792568 WLFJCNYOADKFLR-CVEARBPZSA-N 438.554 0.942 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1709183092 FVHHKUXENKFHBZ-MRXNPFEDSA-N 431.522 0.471 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1722362896 CXJCDCBJANEPAF-GOEBONIOSA-N 430.534 0.961 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CO)c2)CC1 1722447841 NLAFUBBYMAWJDD-LJQANCHMSA-N 436.516 0.736 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)CC1 1722565683 BERXVABBKHHBQF-GOSISDBHSA-N 436.582 0.501 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622080 TXWZDVKMEZGBGR-NVXWUHKLSA-N 447.565 0.610 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747997306 MDPFSCXKGAXSNW-HTXNQAPBSA-N 444.517 0.952 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748846471 HDWDVJZTZVNREP-LVCYWYKZSA-N 432.546 0.981 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1748962522 KKSDEFKDCJOZLD-MRXNPFEDSA-N 449.533 0.727 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1749669893 LUAJVFSBYSIMBR-QGZVFWFLSA-N 431.541 0.080 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749677955 QCZPJZJXWZKSET-QFIPXVFZSA-N 442.495 0.940 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1760316412 RGAZSLWOTMFMSV-KFWWJZLASA-N 431.584 0.438 30 10 ICEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760512743 FMZBEZZNCRHOTG-UHFFFAOYSA-N 427.444 0.518 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1761203151 CYDKJLSADDIVOF-ZFDMEJTGSA-N 431.497 0.558 30 10 ICEE CC(C)S(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1854569083 IEANBXJFMHPTNE-LJQANCHMSA-N 432.546 0.974 30 10 ICEE C=CCNC(=O)NC(=O)C[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882608788 CDZGFIXLLKJLCS-MLNJSSBLSA-N 425.463 0.517 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243021126 QQAVZXGEOFTIAT-AWEZNQCLSA-N 429.514 0.657 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OCc2ccccc2)C1 2243425206 GQTBGJCGXALVGW-UHFFFAOYSA-N 441.297 0.865 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](O)C1 2255627119 ODKPEXVCAIRTFI-OCCSQVGLSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2258959467 RPDZUAMBXJWZCZ-BTYIYWSLSA-N 438.330 0.860 30 10 ICEE COc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C#CCO 2289558319 WIBYUEKWHYZSKU-UHFFFAOYSA-N 428.466 0.755 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 430385729 OMMHTMCONTVHPZ-QFBILLFUSA-N 433.530 0.687 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474355604 PJRAEAAVVQJYLR-DOTOQJQBSA-N 442.541 0.446 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478753937 MIOQUCAIYVVIEK-NVXWUHKLSA-N 442.541 0.804 30 10 ICEE Cc1ncc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1C#N 489268495 VHIZGDJLYWPGAV-KRWDZBQOSA-N 443.533 0.836 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 734269832 OFBBULSXRBUGDZ-UHFFFAOYSA-N 433.528 0.916 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N 804909490 OYAAUFFXDKVESO-UHFFFAOYSA-N 431.470 0.782 30 10 ICEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccccn2)n1N 1084029368 ZDHGDWFTEGSKFG-UHFFFAOYSA-N 430.498 0.369 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1157499223 AEPYCJYWMWDQNY-UHFFFAOYSA-N 443.533 0.758 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3C(=O)NCC(=O)OC)ccc2c1=O 1183720734 ODWJFILDHHVHDR-OAHLLOKOSA-N 430.486 0.765 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 1231173993 HAEIPAFBVBCRME-OAHLLOKOSA-N 432.506 0.635 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc2n1CCCCC2 1286461483 SUIUSHMSHDWQPV-UHFFFAOYSA-N 426.525 0.966 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1286786100 NLBFUUBAOCLNOR-UHFFFAOYSA-N 431.453 0.196 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300503770 FJFJEHXXCPDYLK-KRWDZBQOSA-N 446.533 0.843 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301587517 QFUMOHBECBNLBI-INIZCTEOSA-N 439.563 0.488 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CC1 1311397611 VDPIEFBTMKRMEX-FQEVSTJZSA-N 433.578 0.618 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1507658391 JIKQVVJPBJSWFJ-INDMIFKZSA-N 448.527 0.686 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOC)CC1 1507739039 LFTOJFGPXIKPMV-KRWDZBQOSA-N 437.566 0.573 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC1 1507901751 FMDGJVBGOYYGJI-OAHLLOKOSA-N 431.584 0.474 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508082321 SBJGZHRUDCVUQP-INIZCTEOSA-N 447.565 0.750 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1508421483 BHXULQSWIAUKLK-UONOGXRCSA-N 429.568 0.743 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@H]1O 1517689280 LPINNXXLCXPYPG-HMFYCAOWSA-N 441.488 0.982 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1539460192 ZPHWLWLUUIQZAI-QHCPKHFHSA-N 433.516 0.962 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539477703 WGSIZPILCGLBQV-JQHSSLGASA-N 428.537 0.868 30 10 ICEE CC(C)(C)OC(=O)COCCOCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1558740166 QWYFUUWWZKWJNG-UHFFFAOYSA-N 441.506 0.216 30 10 ICEE N#CC1(C[C@@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCC1 1559636454 KTSRBBVQVMCZEB-GOSISDBHSA-N 449.577 0.669 30 10 ICEE CC(C)(C)OC(=O)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCOCC1 1564969107 PAIYRWVCXHBQRF-LIRRHRJNSA-N 427.523 0.705 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595536853 HGIXGHPZKJOUGP-IIBYNOLFSA-N 428.468 0.768 30 10 ICEE N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653196189 UOIJWKCXDXVVDH-ZBZXYNRHSA-N 430.530 0.855 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCOC[C@H]1CC(N)=O)CCCC2 1654760751 GKITZGZIERMQGA-CVEARBPZSA-N 429.521 0.932 30 10 ICEE CCOC(=O)c1ccc(N2CC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)nc1 1681519281 BYZITSNSFMJBAM-IFXJQAMLSA-N 433.490 0.027 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)nn1 1686849207 UMDJNYYXPHYMAY-CABCVRRESA-N 440.526 0.392 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC 1690039545 KCQYZEVSRODZAX-UHFFFAOYSA-N 438.517 0.818 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)CC1 1690124755 STZVCCNBTDAHTC-FQEVSTJZSA-N 429.569 0.439 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNC(C)=O)CC1 1690137564 CUHQQSWYEDNDQT-JOCHJYFZSA-N 446.552 0.422 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1690622196 KFKHQDIZCTZQAN-INIZCTEOSA-N 425.511 0.891 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1690655175 JMJYRPOJTYXUGI-UHFFFAOYSA-N 442.499 0.677 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690720224 BWWZJMUPVXNOFK-AWEZNQCLSA-N 425.536 0.564 30 10 ICEE COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1697761457 RPTHYAIHLZUHSS-HOCLYGCPSA-N 427.465 0.426 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705694632 SFDATFWUBMETSZ-DODZYUBVSA-N 447.536 0.856 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1712454515 HSCXTFKDTFOMRG-UHFFFAOYSA-N 434.522 0.646 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cccnc2)C1 1712705884 FBXMWELGBLRDOI-GOSISDBHSA-N 445.549 0.989 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1712711618 RUHSOXGUGUZISH-QGZVFWFLSA-N 441.521 0.799 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1722352809 PXSFRGIKZAYSSC-INIZCTEOSA-N 431.518 0.688 30 10 ICEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1723013256 QRLQJFBFWHEIBX-KRWDZBQOSA-N 437.504 0.779 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1731181688 IZQCUXLCZUWUPV-DLBZAZTESA-N 425.511 0.922 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1740616395 AIVCPLDHFAYJQG-NHCUHLMSSA-N 443.573 0.828 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748818256 YJIDJBNJHAUBHQ-CVEARBPZSA-N 444.579 0.232 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749677588 DVZTXMKQZCILCD-QGZVFWFLSA-N 442.524 0.497 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1NC(=O)CC1(C)C 1751208612 MMQQDTFYFDKJPM-UKRRQHHQSA-N 437.570 0.933 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCOC2)c1 1760125658 KMIVWBNRJKWJIX-QFIPXVFZSA-N 435.488 0.886 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760187941 MFEYNDIXBGACRZ-HOTGVXAUSA-N 435.550 0.673 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1760201314 PPMBKUFRYZQQGJ-UHFFFAOYSA-N 430.559 0.792 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760560516 XTZUFABASJAOQW-CQSZACIVSA-N 430.600 0.866 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1772566523 CTMBAPMOSJIBKP-CABCVRRESA-N 444.565 0.871 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405655 SIXMMGMZRDNZPK-QWRGUYRKSA-N 440.331 0.737 30 10 ICEE N#CCN1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 427801215 IKIBDZTZCZRVQY-UHFFFAOYSA-N 426.564 0.985 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 476678623 SVPFQRZOJLICGG-HXUWFJFHSA-N 426.477 0.217 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478750443 YYZXXSDPHVCOOO-INIZCTEOSA-N 427.530 0.671 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N[C@H](C#N)c2ccc(Br)cc2)n(C)c1=O 499396387 SGEOKFAVLWSPQT-GFCCVEGCSA-N 431.250 0.577 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 508824368 BRLGZFJCKKOXOV-KRWDZBQOSA-N 448.549 0.793 30 10 ICEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)s1 533202013 URVFDLFBCYJLPM-UHFFFAOYSA-N 444.582 0.880 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542729580 QLIHWGOHLGGBSU-UHFFFAOYSA-N 430.486 0.802 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O 726042708 FISCUHOVOHWPJM-SNVBAGLBSA-N 430.442 0.955 30 10 ICEE CCc1noc(C[C@@]2(O)CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 856677422 QTTIPCABVCCSNO-NRFANRHFSA-N 443.508 0.518 30 10 ICEE COc1ccc(CN2CCCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1176431584 GLBPAXKNAIICEO-UGKGYDQZSA-N 446.573 0.600 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1286822268 CCPWOYONTITYQM-IBGZPJMESA-N 435.554 0.442 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1300673587 QUYDLLSPTXPXAV-OAQYLSRUSA-N 448.545 0.513 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnnn2C)CC1 1300710830 MYODTOQCTAFEGV-UHFFFAOYSA-N 441.540 0.339 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301589428 RRQLGOBMJWQOJH-UHFFFAOYSA-N 447.627 0.938 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1302287491 WWRVXNPGWWIYSD-RLFYNMQTSA-N 445.517 0.505 30 10 ICEE CS(=O)(=O)[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302438559 GKJUHDDWWNIYDG-MJWGMMHASA-N 448.549 0.770 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C1 1312468079 BFJCNBXFZNRZCG-CABCVRRESA-N 442.538 0.735 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2=CCCOC2)CC1 1359040044 GFAPOBKSMLHVKJ-UHFFFAOYSA-N 426.521 0.827 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[S@@](=O)C(C)(C)C)CC1 1359044334 CNWOLTPLHWUYKO-AZYRPFHASA-N 448.593 0.742 30 10 ICEE CCC(CC)NC(=O)[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2O1 1443045993 BRSWEWNFHYOWAK-QGZVFWFLSA-N 425.445 0.920 30 10 ICEE C#CCN1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1444337556 JEHPLUNERDLWFZ-IBGZPJMESA-N 434.562 0.383 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1503871772 CBZQHDNVRBDEPK-HNNXBMFYSA-N 433.490 0.773 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507564521 RLDOUKXQBJSOFR-QZTJIDSGSA-N 449.577 0.811 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(=O)NC)CC1 1507739624 DQNGSJIPNBCLNO-UHFFFAOYSA-N 443.552 0.139 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1508091716 OKXIDQVGDADAGJ-INIZCTEOSA-N 438.554 0.316 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1539267155 WWJVTALMXCSTKM-ROUUACIJSA-N 434.566 0.168 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540872843 BZHRRLMPKVRCOM-IBGZPJMESA-N 425.537 0.867 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1540905132 QCGMKHXRDWKNKE-ZIAGYGMSSA-N 434.609 0.723 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(C(=O)OC)CCS(=O)(=O)CC3)n[nH]2)c1C 1568088523 QYXPWBKWXAPGEG-UHFFFAOYSA-N 435.506 0.926 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588848499 IEGWBAOCJCHKMK-GOSISDBHSA-N 428.562 0.844 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1589069760 NRGPYCOIUVXRIK-CABCVRRESA-N 429.568 0.203 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1594813125 OVWZJJOMVXNBGW-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1595543952 CJIXKEBNRSGSCC-OKZBNKHCSA-N 448.568 0.842 30 10 ICEE COc1cc(C#N)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1622231195 DLZDXHGNRKICJR-CYBMUJFWSA-N 430.504 0.696 30 10 ICEE C=CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H](C)COC 1628483492 DQGCSYKKXOIEEW-QGZVFWFLSA-N 425.555 0.766 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1ccnn1C 1633662983 YZRBRZUVRKNOEG-ZZCKCESHSA-N 446.508 0.584 30 10 ICEE COc1ccc(CC(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1635746510 ZNQJUQZMUKUJMC-UHFFFAOYSA-N 430.486 0.842 30 10 ICEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nnn1Cc1ccc(F)cc1F 1640636558 JTMJSFRAONJTEQ-UHFFFAOYSA-N 427.371 0.744 30 10 ICEE C#CCSCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1650825434 IBRNIZCVQOBKMU-UHFFFAOYSA-N 445.588 0.217 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 1677848468 SAWIXRGVDTWXJM-OAHLLOKOSA-N 425.580 0.290 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689980662 VXOHUBQDTMAQGJ-DLBZAZTESA-N 440.566 0.934 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705560600 IOETXYYBARWTOZ-HOTGVXAUSA-N 431.509 0.569 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705568231 JOWWRURTOSNGIL-DLBZAZTESA-N 435.550 0.452 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCCCCO)C1 1712706104 HQRFAADCRLYLJZ-QGZVFWFLSA-N 440.570 0.904 30 10 ICEE CSCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1712819521 SMTSUHREANOUBB-LTRYHMRKSA-N 433.538 0.945 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1722730413 QWDDDCKVNZUPGN-INIZCTEOSA-N 438.554 0.106 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1=O 1729591433 BHYNXIJMTLBLSF-OXJNMPFZSA-N 428.518 0.918 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1731020867 PUUIZDMZPKKLLR-GOSISDBHSA-N 445.549 0.877 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740612578 DJQJRJGWOVSCAP-CQSZACIVSA-N 436.563 0.621 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1740630199 GQSRGTVBZJKGDX-MSOLQXFVSA-N 436.582 0.318 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC1 1740705197 CKZOVQFCIRLQRZ-IIBYNOLFSA-N 430.509 0.001 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1741929898 BXCDYODHBJUSBG-BXWFABGCSA-N 439.586 0.739 30 10 ICEE C#CCN(c1nnc(CC)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748817003 CAHSPYWXMYXGHW-QGZVFWFLSA-N 440.566 0.679 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1748817071 DNBNWMGKKGYEAN-ZWKOTPCHSA-N 439.582 0.377 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748821289 ODXRJSCWWKMESJ-IAGOWNOFSA-N 436.559 0.973 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1749457743 POZRHULRSASDMS-HNNXBMFYSA-N 429.543 0.429 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1749599599 HNYLUQLRFMLCPX-OAHLLOKOSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1760514899 NZNRCGAFRAQONG-UHFFFAOYSA-N 434.460 0.891 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(C)=O)CC1 1760556397 CGHFIKYQTQYZNG-UHFFFAOYSA-N 432.550 0.923 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC#CCN1CCOCC1 1850069187 JSPBCXZLZYEYGV-AWEZNQCLSA-N 433.452 0.824 30 10 ICEE N#Cc1ccccc1NC(=O)COc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1865838246 WESQNVWNUJAYBX-HNNXBMFYSA-N 432.392 0.977 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2311709724 ACDMJVXKPLTAOK-QZPUYBJASA-N 438.330 0.878 30 10 ICEE CCOC(=O)[C@](C)(NC(=O)CNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 435984820 MYYXZCXTRSDYTQ-HXUWFJFHSA-N 430.486 1.363 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)CC1 438534168 IEBOQRVYLWHMKX-INIZCTEOSA-N 445.520 0.820 30 10 ICEE CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483574855 OLFTUICBARXVSZ-UHFFFAOYSA-N 444.517 0.887 30 10 ICEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 533215612 AAEQRZPJFITMHZ-AWEZNQCLSA-N 445.545 0.438 30 10 ICEE C=CCN1CCC(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 553330572 NBLIHJARTFRROZ-UHFFFAOYSA-N 432.546 0.356 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CCN1CCOCC1 578712616 SQIPEACMVJAAMS-UHFFFAOYSA-N 438.962 0.206 30 10 ICEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 619106963 IAGYGGCWGJBCFK-UHFFFAOYSA-N 445.501 0.598 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741218525 GIRGPHLGVSMPTI-BLRPHQBRSA-N 426.473 0.947 30 10 ICEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(S(C)(=O)=O)c1 774242980 PTTFSGBQHAHESN-OAHLLOKOSA-N 434.474 0.014 30 10 ICEE CC#CCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 776206858 XXIQRCCVOJCIET-UHFFFAOYSA-N 427.548 0.828 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 786487397 BDPYOZLQIPXHFD-ZFWWWQNUSA-N 429.520 0.440 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 789323093 HKUKXRXDDRWXJJ-UHFFFAOYSA-N 425.493 0.482 30 10 ICEE C#CCN=c1nc(N2CC[C@@](O)(C(F)(F)F)C2)[nH]c(N2CC[C@@](O)(C(F)(F)F)C2)n1 804495561 GQORSQKCRKDFQE-KBPBESRZSA-N 440.348 0.346 30 10 ICEE CN(C)c1c(C=NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)c(=O)n(C)c(=O)n1C 807972090 MCDBJVSCBJCCAR-UHFFFAOYSA-N 448.409 0.889 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)CC1 1152967776 PDZVJRMXPBEHHA-MRXNPFEDSA-N 448.574 0.580 30 10 ICEE CCOC(=O)CON=C(C(=O)NCC1(n2cc(Br)cn2)CC1)c1cc[nH]n1 1154389516 KWSKOJBJQJJIKQ-UHFFFAOYSA-N 439.270 0.958 30 10 ICEE Cc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 1162184529 GLLKFPVFJQHKPO-UHFFFAOYSA-N 435.531 0.880 30 10 ICEE C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1165638767 YDVJPKSJZBCQDS-QHCPKHFHSA-N 430.420 0.852 30 10 ICEE CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2C1 1195269973 JTLGCLPDTRAZGM-BBRMVZONSA-N 429.545 0.212 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1286467483 QDHIRRMTDOJFFJ-GOSISDBHSA-N 437.566 0.525 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1286737763 OKLCDMYLHFGKSE-RMYFCYLKSA-N 446.533 0.861 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286791185 PAUWTJTZDCXYNF-QGZVFWFLSA-N 442.476 0.981 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300496447 RKNNMKPDDIIBDO-MLHJIOFPSA-N 438.550 0.460 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(=O)NC)CC1 1359043986 QDBAKPUKSHMGCD-UHFFFAOYSA-N 426.525 0.417 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NC)CC1 1359333717 HQSDQEIDIVPMKF-UHFFFAOYSA-N 432.550 0.827 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359336312 LRAVPGAJERQNQI-DLBZAZTESA-N 436.538 0.832 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2CCC[C@H](C(=O)OC)C2=O)c1 1434894825 NPSJWGDYKYGYPJ-IBGZPJMESA-N 441.484 0.271 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 1463916042 HGNNILGJOMYVNM-UHFFFAOYSA-N 435.731 0.553 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 1478071053 YUEACHNWUHADAV-AWEZNQCLSA-N 448.505 0.601 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1503837573 OHRSQXNJPVYIPT-IBGZPJMESA-N 445.505 0.397 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1508123424 HXCDUDQSMBMOFK-ZWKOTPCHSA-N 439.582 0.684 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1544477275 SNMWPERDVIFLEP-DLBZAZTESA-N 437.541 0.623 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 1556316437 AMYJZXODAZKXFP-OCCSQVGLSA-N 435.593 0.589 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)ccc1F 1557528020 VPYKBTPOPHYBGG-UHFFFAOYSA-N 431.511 0.540 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)C1=O 1586136326 RTRQEUUOOIBJEA-AWEZNQCLSA-N 448.501 0.408 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588055297 VCZGGADZFIEKPZ-WMZOPIPTSA-N 443.529 0.913 30 10 ICEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589096601 FSUPYPUIFVJMOO-GOSISDBHSA-N 438.557 0.577 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1649557297 FXFOTWIOPIUUNS-GJSVEYNCSA-N 429.481 0.323 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(I)c(O)nc2=O)c1 1651986357 PBCKGUXVCJEVKI-UHFFFAOYSA-N 438.181 0.883 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 1667741197 SUAIRHJMUXSDRQ-UHFFFAOYSA-N 447.561 0.859 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 1669828913 LEPFOSOBNSWCAB-UHFFFAOYSA-N 432.315 0.952 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1690115958 XPXJSGIVPQWDDA-UHFFFAOYSA-N 427.534 0.511 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCOCC2)CC1 1705647187 ALYXQBKUCHYOPM-AZUAARDMSA-N 444.580 0.859 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1705661597 GCBOEDFVUJWXHY-CQSZACIVSA-N 446.620 0.560 30 10 ICEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1705885123 IROJLVIEWOWGPC-INIZCTEOSA-N 425.555 0.864 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705907090 ZMBSUEOAEXJNOG-MRXNPFEDSA-N 437.460 0.672 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1712454463 OBRZLQXQYYHCRL-HRCADAONSA-N 427.527 0.087 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722726330 CGLGKEOPWXFAKH-HOTGVXAUSA-N 438.554 0.677 30 10 ICEE COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1730800819 WBZPWPXZYCIWML-OAHLLOKOSA-N 434.522 0.462 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1740655924 GIMSSTMQLGDERL-ZWKOTPCHSA-N 447.561 0.138 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nnn(C)n2)CC1 1740690896 PSMDIAUXMOYTHO-HNNXBMFYSA-N 425.472 0.884 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748815583 RNKSRYOPQRYJTJ-IRXDYDNUSA-N 445.549 0.222 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1750042038 WIRMLEHIYAZRFX-QGZVFWFLSA-N 441.540 0.548 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1NC(=O)CC1(C)C 1751208613 MMQQDTFYFDKJPM-ZFWWWQNUSA-N 437.570 0.933 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1760116136 FMXDDTINJSFDQY-HZPDHXFCSA-N 441.554 0.001 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)CC1 1760265334 XLILRVQGXPPWDK-UHFFFAOYSA-N 443.596 0.706 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1766715962 ZZQMLDZAOCDDPN-UHFFFAOYSA-N 431.522 0.472 30 10 ICEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)c(C)c1Br 1854813974 LTBIROAENYPCOY-LLVKDONJSA-N 429.296 0.987 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3cc(F)ccc3F)C2)CC1=O 1854936814 JEWOMGGAWFBPOH-HNNXBMFYSA-N 426.445 0.453 30 10 ICEE CCN(C(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1858421761 DEICXMUBOOYJDP-CVEARBPZSA-N 425.532 0.604 30 10 ICEE COc1cc(/C=N/n2c(C)nnc2SCC(N)=O)ccc1OCCN1CCOCC1 1874530879 FZLCZMAZONFKIL-CIAFOILYSA-N 434.522 0.766 30 10 ICEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCO)[nH]s1 2110082539 NASUKCHIVYCGBI-KRWDZBQOSA-N 438.462 0.070 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267537176 PCZQRGAVLFQBBU-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE C=CC[C@@H](O)[C@H]1CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906286 YFSYPWISRIJXKD-BRWVUGGUSA-N 426.491 0.796 30 10 ICEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 28902701 UGDOEWVPDUYSSZ-UHFFFAOYSA-N 433.578 0.974 30 10 ICEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CC2)c1=O 447269368 ATXVRJDDKFXSEC-UHFFFAOYSA-N 448.346 0.866 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 509010428 GDMBWQXYWDLSTM-JKSUJKDBSA-N 440.570 0.682 30 10 ICEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735223734 GMLZSMDERJCGDO-QGZVFWFLSA-N 449.533 0.551 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 737199073 RTXPQWSHEWYHST-QGZVFWFLSA-N 445.545 0.998 30 10 ICEE C[C@@H](C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cnc(C#N)n1 798745716 LFPMOSXFFWELEW-AWEZNQCLSA-N 435.462 0.354 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(S(=O)(=O)NC2CCCC2)cn1 814800319 RJUIQTLIOSCZDO-UHFFFAOYSA-N 441.539 0.600 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856611456 KQNRIEGCUQIZTP-JCGIZDLHSA-N 441.513 0.602 30 10 ICEE CCc1nnc(CN(C)C(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)o1 1084632397 ZFOCICXTKCFWNT-UHFFFAOYSA-N 447.529 0.911 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 1141371853 PJYYSPHHBKXTRR-UHFFFAOYSA-N 446.508 0.855 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 1251453705 MCUDBLKNNFSNJO-MRXNPFEDSA-N 449.533 0.889 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1286386317 YJZZASDLJBVYDJ-IAGOWNOFSA-N 437.566 0.523 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286393108 DLCDRLCHPMZXTR-KURKYZTESA-N 449.577 0.578 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1286409120 IFCWXZBSPZUIOE-QGZVFWFLSA-N 444.517 0.136 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286466973 MOMUWZGOKHFRLH-HNNXBMFYSA-N 425.555 0.571 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300480087 XRFLVNKNIQXKBE-OAHLLOKOSA-N 448.574 0.840 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CC(OCC)C2)CC1 1300685291 KPNMVSDSFVZNEW-UDJZJCJKSA-N 433.553 0.615 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1300733500 KKABFVNGYTYAKM-ZDUSSCGKSA-N 428.584 0.347 30 10 ICEE N#Cc1cn(CC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c(=O)nc1O 1300981863 FOKNVSUEDJPVGR-ZDUSSCGKSA-N 441.410 0.860 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301040088 BVWCISKSIIKIJS-STQMWFEESA-N 437.975 0.451 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1303867373 PKUBSIGIVXFNDE-PBHICJAKSA-N 446.533 0.990 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1314541288 ALOHNHNYXIVLEH-JKSUJKDBSA-N 426.543 0.920 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn(C2COC2)nn1)[C@@H]1CCS(=O)(=O)C1 1358957528 VRHBRNDCJDOFKZ-GDBMZVCRSA-N 433.538 0.629 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1358969852 YJKDNVDZPIFFHV-HNNXBMFYSA-N 425.580 0.873 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1507634363 NALPBNJANDXYDK-KRWDZBQOSA-N 443.508 0.812 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507752352 ZGYIJJSBTWJVQN-CABCVRRESA-N 425.580 0.509 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1507753163 COVVNMVDFKUMKD-INIZCTEOSA-N 431.566 0.980 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 1507820228 AYPOCEWCJXBZNQ-QFBILLFUSA-N 443.570 0.819 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1507831704 CVRAELIFWHDZMU-KRWDZBQOSA-N 440.570 0.540 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539045464 VAIITUXKIGSYTN-UHFFFAOYSA-N 429.525 0.147 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539436030 GTRMICPSQKNGFG-OAQYLSRUSA-N 445.545 0.259 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCn2cnnn2)CC1 1539484209 HEHIXBNZOVVPRQ-UHFFFAOYSA-N 434.508 0.307 30 10 ICEE N#C[C@]1(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCCOC1 1539740887 SOKSIZOATKYGSQ-HXUWFJFHSA-N 449.533 0.071 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1588983967 DNBKDSPCOSDEGY-AWEZNQCLSA-N 442.611 0.607 30 10 ICEE CNS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1596611404 LNSFBYBIFJUIPG-HKWRFOASSA-N 431.540 0.272 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1616927204 JMVFVTLMRPQWLS-FXAWDEMLSA-N 442.582 0.488 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1626148346 JUWRYRQWMKJGRT-LSDHHAIUSA-N 425.482 0.200 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 1671857490 HDSFGDBKJBHFSP-QRVBRYPASA-N 436.534 0.406 30 10 ICEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C1CCN(C)CC1 1685637479 IRWHPZAGCXLKKI-MRXNPFEDSA-N 433.553 0.946 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689978432 VOJNRURULXQRKD-INIZCTEOSA-N 446.533 0.495 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1689984450 PMVNLDQFVXKNPU-UWJYYQICSA-N 446.529 0.732 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1696593359 WRMJPZQBUWSIHH-MRXNPFEDSA-N 427.509 0.895 30 10 ICEE COCCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1=O 1698096255 IGPBCTZZSXMYMW-UHFFFAOYSA-N 438.492 0.948 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1705564361 NIAXXJOYOCFBON-HNNXBMFYSA-N 441.517 0.757 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1729339899 VYAYFMSDUCQFNM-HXUWFJFHSA-N 425.537 0.916 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740618460 IEFSEHRSTZUYHF-FXAWDEMLSA-N 448.549 0.339 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1741119511 QWMLXQTZZPJFGZ-IBGZPJMESA-N 439.520 0.776 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2ccco2)CC1 1760264866 HADGWGDPFYVPQX-HKUYNNGSSA-N 442.520 0.780 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760269777 OMJXQNLORSFMGD-SJLPKXTDSA-N 449.577 0.573 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513683 SVBMKMDRBKEGIY-APWZRJJASA-N 434.452 0.755 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631579 AWPJUNGTXZFFQZ-TZMCWYRMSA-N 436.318 0.667 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@@H]3CCCCN3C(=O)[C@H](O)CO)nc2)OC1(C)C 204888776 YLHLNFXUZJZIFN-DLBZAZTESA-N 435.330 0.669 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 476992693 UBKGQSJGECZVEC-QGZVFWFLSA-N 436.538 0.273 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 487435787 FGVBXADISUJTGY-MOPGFXCFSA-N 425.489 0.738 30 10 ICEE C=CCSCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 514306672 JTCXZZXAPXXFOF-QGZVFWFLSA-N 448.593 0.404 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 524281089 FXYBNPFXRZCIMX-UHFFFAOYSA-N 437.452 0.929 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 558821238 WAHGQDGNBUNKGL-QGZVFWFLSA-N 431.518 0.775 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 735063710 RVCCYJFSDHRRCS-HIFRSBDPSA-N 442.563 0.290 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735500622 CBHYVKQYJBCXSQ-ZCXUNETKSA-N 434.474 0.453 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 751274604 YLTFDQZAHHLLGX-OAHLLOKOSA-N 442.559 0.988 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 815077228 DLHJNRCLNBKBDX-INIZCTEOSA-N 434.331 0.881 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 917355878 FSLRGFMDRIAXNL-INIZCTEOSA-N 441.557 0.565 30 10 ICEE C#CC[C@@H](NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)OC 1141995680 WPOLQFHUKJBVIU-MRXNPFEDSA-N 444.513 0.837 30 10 ICEE C=CCn1c(SCC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)nnc1-c1ccc(Cl)cc1 1149178509 DXVFMACQLPXDAR-OKILXGFUSA-N 448.936 0.922 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1 1167352150 CSWXAXMLMDJWSY-UHFFFAOYSA-N 439.540 0.506 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286395923 STEGGBAFUAGKFT-JKSUJKDBSA-N 440.591 0.997 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1286429421 BFUBEZQNSOFYOO-MSOLQXFVSA-N 435.550 0.501 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286628786 GHIZRTRQEIBCRI-MCIONIFRSA-N 444.945 0.078 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1288511417 XUVGRLLVCNBIBH-HFUDNHEJSA-N 426.481 0.779 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1297520098 MJXAOTKICFJGID-INIZCTEOSA-N 444.536 0.530 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300479966 WCXYLAHUXWRVBF-MRXNPFEDSA-N 446.533 0.715 30 10 ICEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1300657949 WBQKXZAJOPERQW-UHFFFAOYSA-N 447.565 0.769 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)C1 1302978371 BPUSMEYSUZRJRN-NRFANRHFSA-N 441.467 0.868 30 10 ICEE CN1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 1314925874 DAZXZGCCLRSLCS-RTBURBONSA-N 433.513 0.778 30 10 ICEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1358971458 WQZSWZYBVTYILQ-MRXNPFEDSA-N 439.545 0.898 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359037952 FMPMLRBRNPFWCF-IBGZPJMESA-N 427.553 0.414 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1359333507 ZWRJOTXJEZWAIU-OAHLLOKOSA-N 444.579 0.398 30 10 ICEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)c1 1472625052 HGKCBHQTKUKIQS-YYFZDKIDSA-N 430.486 0.597 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CCO1 1505321511 BPXGOVWOPAGGDK-RDJZCZTQSA-N 439.538 0.495 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1507660204 OHCVDELJGUWGQV-KRWDZBQOSA-N 448.593 1.000 30 10 ICEE C=CCCOCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1507965755 JDSXKMLWSRCBJL-UHFFFAOYSA-N 448.568 0.676 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)C)CC1 1508131670 ORCWRVFUOZCUDB-UHFFFAOYSA-N 426.587 0.938 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508158351 FNDUPJVMXQILCR-MRXNPFEDSA-N 435.598 0.795 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1539219969 GFUPZIVMZPVPBB-SJORKVTESA-N 439.607 0.458 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C)n(C)c2=O)CC1 1539489758 MXULAIDEXINALD-UHFFFAOYSA-N 426.521 0.836 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540033571 LUCJWSTVCUSYSM-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876701 YQDREVRXGOEWMM-FIKGOQFSSA-N 437.541 0.861 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540902908 UERRZGZQVHAXAA-CABCVRRESA-N 425.511 0.414 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c1 1561694699 VWXXQLFVGXZFSJ-UHFFFAOYSA-N 436.534 0.797 30 10 ICEE N#CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1565814599 AFUMHFJRSVDKBZ-HNNXBMFYSA-N 426.564 0.955 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1587990649 ZRQJUVZNVMRZHF-SFHVURJKSA-N 446.533 0.687 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1588581316 NKSVYRXZRJVGOF-APWZRJJASA-N 426.539 0.451 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCOC 1589216860 YZVYXOJYXYGZOR-QFBILLFUSA-N 441.554 0.266 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1612144671 NLWOWJYWKLOILI-KRWDZBQOSA-N 434.522 0.834 30 10 ICEE Cc1nn(C)c(N2CCN(C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)c1C#N 1617285880 YSJVODKURCSVHX-QGZVFWFLSA-N 438.598 0.724 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)ccc1F 1624140726 RRRJNLLGEHAZDV-AWEZNQCLSA-N 427.498 0.999 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cnn(C)c1 1625034981 NXOWYHRHFJEOMG-WJFTUGDTSA-N 436.472 0.094 30 10 ICEE CCCn1c(CCC(=O)N[C@@H](C#N)CO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1627544429 WIBKGKSOETUBDP-HNNXBMFYSA-N 449.533 0.400 30 10 ICEE N#Cc1cn(CC(=O)NCCN=[S@](=O)(c2ccccc2)C(F)(F)F)c(=O)nc1O 1643428680 NMFJPZPPEPRITC-LJAQVGFWSA-N 429.380 0.984 30 10 ICEE C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)C1CCOCC1 1645985539 CPACLIPFQKBNFQ-RBUKOAKNSA-N 435.546 0.760 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C1 1685177351 RGDONAUPYYBLSH-GOSISDBHSA-N 425.599 0.921 30 10 ICEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 1691082896 QYMDNMLQYXCVIA-UHFFFAOYSA-N 425.493 0.969 30 10 ICEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696376238 ZVBCVXXTLRIDFV-PLGXQAJASA-N 443.508 0.618 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705572354 YPIRCXKYCCTIIE-GOSISDBHSA-N 437.566 0.700 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705611927 SULFUKNIPCFLLK-AWEZNQCLSA-N 434.522 0.747 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1705621488 FDQJKQYRWIUNRB-RDJZCZTQSA-N 440.570 0.233 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1705875638 AWCGDCKQUCCLKV-SJORKVTESA-N 441.554 0.595 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1 1740610658 HYHIPLNVIXMIQT-CQSZACIVSA-N 440.551 0.332 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748811727 KIUVMDRHKUBQOQ-OAHLLOKOSA-N 431.522 0.278 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1748880002 JFZBJHIOGNVWAW-NRFANRHFSA-N 428.514 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749729883 VEVQQCCBDBPKDK-GOSISDBHSA-N 433.534 0.887 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1750516982 CMNFEYQODXZYTR-UONOGXRCSA-N 445.567 0.122 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(C)=O 1760196941 NMVHHCZTECHACH-UHFFFAOYSA-N 442.545 0.794 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N1CCOCC1 1772843405 UCJCQDGUIXYOKN-UHFFFAOYSA-N 438.536 0.929 30 10 ICEE C=CC[C@@H]1C(=O)N=C(NC(=O)c2cnc(N(C)C)c(I)c2)NC1=O 1852979327 YDQXXEDCEWZEAC-UHFFFAOYSA-N 441.229 0.687 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(S(C)(=O)=O)CC3)CCC2=O)CC1=O 1856974163 CIYBOFILKOLECZ-HOTGVXAUSA-N 425.551 0.295 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)[C@@H](C)C2=O)CC1=O 1857095536 PNYQMVPQXPZNNG-GOEBONIOSA-N 437.493 0.749 30 10 ICEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244279615 DPIVIPSYZDWBHI-AWEZNQCLSA-N 429.514 0.657 30 10 ICEE C=CCn1c(=O)/c(=C\c2ccc3c(c2)OCO3)s/c1=C(/C#N)C(=O)NCCCOC 96793327 XZYAKMMELXXFBY-ASMPONCRSA-N 427.482 0.480 30 10 ICEE CC(C)N(CC1CCN(C(=O)[C@@H](O)CO)CC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208091830 OSQSSEJOHFLVKA-SFHVURJKSA-N 448.373 0.582 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1C(F)(F)F 409552988 MOMGPFSQEJFREI-UHFFFAOYSA-N 446.451 0.742 30 10 ICEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 478581847 BVMZPXKMDITPND-UHFFFAOYSA-N 429.502 0.528 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482558166 NFXAXXPSKAGBAQ-CYBMUJFWSA-N 426.523 0.804 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC(C)C)CC1 508825229 DKOPVTYGBXXJEH-KRWDZBQOSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)CC1 542733515 HXRNXBAOILTGKV-UHFFFAOYSA-N 425.493 0.731 30 10 ICEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544840659 YFGHEWGKFAPSAA-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE COC(=O)CN(CC#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 573295773 KMMODLDWYLGDFW-KPRAIHJYSA-N 433.464 0.991 30 10 ICEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583017742 XZXCXFNHTUMGIZ-CQSZACIVSA-N 425.470 0.751 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828137 HLEXZQAHWWZHBV-UHFFFAOYSA-N 430.489 0.780 30 10 ICEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732696514 HRCCHYVFDDLYIN-INIZCTEOSA-N 449.533 0.920 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CC1 752990182 IVXIICWHSLQVEU-PGRDOPGGSA-N 439.491 0.983 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]3CCCO3)c2=O)cn1 772279701 QWWQIZCLBHMPFA-INIZCTEOSA-N 443.529 0.042 30 10 ICEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnn(C)n2)C1=O 782883863 LRDOVAUDSFUSEZ-HNNXBMFYSA-N 448.528 0.939 30 10 ICEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)COc2cccc(Br)c2C#N)n1 1179021576 YAOIRPDTTZMHSC-UHFFFAOYSA-N 428.268 0.679 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1286377232 UPAHGJLLMZQVOQ-ULQDDVLXSA-N 425.555 0.886 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1286509563 TWRNMKSSBVHECS-OAHLLOKOSA-N 425.580 0.652 30 10 ICEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1298047075 HGYXKFJRERLWED-YJBOKZPZSA-N 440.545 0.733 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1303436967 SUSYFUHBBDXCIA-UHFFFAOYSA-N 435.492 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCOCC2)CC1 1359335097 AMXFKGPLECUQHM-UHFFFAOYSA-N 427.571 0.716 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)CC1 1471451148 OMQBMMABAILCGY-UHFFFAOYSA-N 448.611 0.636 30 10 ICEE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1503423439 FZZIICMBSPVBDN-STQMWFEESA-N 439.519 0.316 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2cnn(C)n2)CC1 1507738461 PLKZKKBPNRKMGW-UHFFFAOYSA-N 434.508 0.462 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539216871 XVRSBHKGEBGFSI-MRXNPFEDSA-N 440.533 0.760 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C2CC2)CC1 1539481892 PLTIXWSABXTULD-SFHVURJKSA-N 428.537 0.664 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1540871138 FHQRGGKFVWRJBU-INIZCTEOSA-N 438.540 0.932 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540872844 BZHRRLMPKVRCOM-LJQANCHMSA-N 425.537 0.867 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1595805834 VPKRCCQXUPXVLD-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595812234 PVWKFYDCJUADPB-MRXNPFEDSA-N 439.563 0.488 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)cc1 1634771987 VMVSWIJYTQSEGW-ZWKOTPCHSA-N 431.470 0.388 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1634876478 QRCKTGNRHZXKGP-UHFFFAOYSA-N 431.968 0.746 30 10 ICEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)C2)nc1 1637928019 FULMSFHJZZDDDG-YOEHRIQHSA-N 425.420 0.746 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973428 MFSBPJXPYONFTM-HNNXBMFYSA-N 428.555 0.763 30 10 ICEE C#CCN(C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CCN(C)CC1 1668811965 FQYBSMQCKNHSLJ-UHFFFAOYSA-N 447.605 0.862 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690668131 UJYCWESDZOKJDA-KRWDZBQOSA-N 438.492 0.409 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692560802 ZLCYZWKWDAOGSN-UDJKBAMHSA-N 445.524 0.659 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1694792924 LVIXULNZEAYJAT-OTWHNJEPSA-N 440.504 0.983 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1705494985 JAWPRBCBTIWFJJ-HOTGVXAUSA-N 426.587 0.657 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCOCC2)CC1 1705768908 CTMSKSRTBILRDD-INIZCTEOSA-N 441.554 0.309 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705908048 GJFMIEJLDXTDOU-IEBWSBKVSA-N 447.584 0.496 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1711360241 DZRXZWJLNRHWJU-MRXNPFEDSA-N 444.517 0.345 30 10 ICEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722552845 WIWIJZZZLBVYKJ-UHFFFAOYSA-N 429.912 0.944 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCO[C@H]2C)CC1 1722566024 HXACERCYIMIPIJ-TXPKVOOTSA-N 441.554 0.307 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1722699292 UBYCYLFKEZPVBD-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722700276 DFGPKLCEBMPBSO-PKOBYXMFSA-N 425.537 0.723 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724014283 AFDDBFMAFGQQOI-OXQOHEQNSA-N 449.581 0.812 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1730417555 AECNIYHSTZSFKD-UHFFFAOYSA-N 428.493 0.511 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1740686582 UHVVZZLJITXODV-SFHVURJKSA-N 448.549 0.449 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740959053 ZFGJTMUVEXNICX-MSOLQXFVSA-N 435.488 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740990407 UCUZTYYWAOOCAM-HNAYVOBHSA-N 436.538 0.664 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748803246 WUFYUPLWPPHUNA-HOTGVXAUSA-N 437.591 0.894 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748812371 ULKWUHCJRZCSIN-LJQANCHMSA-N 444.561 0.689 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749756266 VVFRKVLUDNJRQH-ZNMIVQPWSA-N 425.580 0.814 30 10 ICEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1751046590 BCMACFWTVMFJAC-CRAIPNDOSA-N 444.533 0.868 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760193642 KWQKHUVYCXOLAD-MRXNPFEDSA-N 434.566 0.551 30 10 ICEE CCN(CC)C(=O)CN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1766566993 DFIBPVHZJCBPJR-FMQUCBEESA-N 444.540 0.103 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(=O)(=O)CC)CCOC1 1767439627 NOEPMPBFKIASHH-ZWKOTPCHSA-N 444.533 0.702 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771535821 AHZONOPTLUQOOF-CRAIPNDOSA-N 437.909 0.877 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)C1 1771564338 GFDPBESCQPOVHD-WUKNDPDISA-N 435.435 0.772 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OC)c1 1865728201 CLZIWBRHUVMYFA-MRXNPFEDSA-N 438.484 0.988 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2255872878 FVLZANUWYWIPRJ-UHFFFAOYSA-N 433.318 0.950 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 484540341 GFOPGMKROQNJQB-INIZCTEOSA-N 442.566 0.562 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505701146 VILZLCJUVADOCY-UHFFFAOYSA-N 432.509 0.842 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 562202349 VISJGEBEAFOYNT-GOSISDBHSA-N 430.461 0.893 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C[C@@H]1CCCO1 603990250 VOLXTFANSXPBKJ-KRWDZBQOSA-N 443.525 0.363 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780931670 LAYPDONBUOADHC-QHCPKHFHSA-N 442.516 0.356 30 10 ICEE COCCOc1ccccc1N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1137275043 MURAVBFSAWKOBP-UHFFFAOYSA-N 427.461 0.585 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1219911617 HXDKJEHNYZOHDI-OAHLLOKOSA-N 429.424 0.956 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[C@@H]1NC(=O)NC1=O 1286371089 ZEJFKQAJSKVRCN-ZDUSSCGKSA-N 444.521 0.296 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286600077 JDQLICRKDFZDLU-KBXCAEBGSA-N 426.543 0.340 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1300780312 PIDIMVDNGIIHHR-IIDMSEBBSA-N 443.595 0.848 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1304912742 QMAJIPQTEWFUAL-ZYSHUDEJSA-N 440.504 0.936 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 1312920680 GYUKGCZSCGVYIM-IRXDYDNUSA-N 435.550 0.934 30 10 ICEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC#N)CC1 1318314922 UECYROIAMFTHHO-SFHVURJKSA-N 436.534 0.820 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358962359 OKNOMYWQFFRNMB-QGZVFWFLSA-N 435.550 0.421 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1358969578 RRMJVQJWYBVZLW-IRXDYDNUSA-N 445.549 0.362 30 10 ICEE C=CCOC[C@@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1448493163 HAGULIKVXHSQBO-IZPCHGGPSA-N 432.539 0.995 30 10 ICEE C#CCN1CCC(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1471321044 WAORCMKCVHQTJD-KRWDZBQOSA-N 442.582 0.807 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccoc2COc2ccc(C=O)cc2)CC1 1471450556 FOUAVWHKUYGZMS-UHFFFAOYSA-N 431.470 0.897 30 10 ICEE C#CCNC(=O)CN1CCN(C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 1473501546 CFBIZYCBAHTTBM-QHCPKHFHSA-N 428.533 0.517 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1504130684 FZBCOODKURDMKK-GOSISDBHSA-N 442.476 0.550 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1505047076 KSQOUKHCSJNLIU-UHFFFAOYSA-N 434.522 0.561 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2COCCO2)CC1 1507885244 VQIONMLRJUNQEY-IRXDYDNUSA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508096375 GNMWFIQIYHEWKD-ZWOKBUDYSA-N 446.552 0.896 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1544571354 FHBDOZSSJPOBPB-HOTGVXAUSA-N 442.520 0.966 30 10 ICEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1548265313 OMIHHLUDVGDQOX-INIZCTEOSA-N 434.522 0.961 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1552872174 UWNMLGLONLRDSH-UHFFFAOYSA-N 447.565 0.477 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587638443 DWWXWZQMNQMHKK-ZNMIVQPWSA-N 449.499 0.901 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588050102 PAMAAXCPEYQVTK-HZPDHXFCSA-N 436.582 0.444 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593741708 VUSZNCPKVKNALP-QGZVFWFLSA-N 433.557 0.469 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1619963830 VZJWJSWGWDGOAA-UHFFFAOYSA-N 429.525 0.973 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1657641373 SGEOZKNLTBGKHP-LXZKKBNFSA-N 443.547 0.865 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC([C@@H](F)C(N)=O)CC2)CC1 1659796482 GAMSLBYXOCJNMO-GOSISDBHSA-N 444.467 0.990 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 1682598122 PFLGUEFKQDHJRG-QGZVFWFLSA-N 434.497 0.443 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1689931633 DJLDCJQKFMOYSX-APWZRJJASA-N 439.538 0.020 30 10 ICEE C#CCN(c1nnc(C)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1689981828 BZORKODSXJPFPK-QGZVFWFLSA-N 431.518 0.739 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692507517 VJLKEKZOKRGZSF-QFPXGYFVSA-N 445.524 0.806 30 10 ICEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697832673 OVKPNJJSXUEIOW-INIZCTEOSA-N 428.497 0.776 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564278 BNRIXZYBWSMCNM-JKSUJKDBSA-N 428.580 0.853 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705565126 GLEDGFSWZCFMMN-JXXFODFXSA-N 435.550 0.277 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740628070 VJOWCBLRURNMHK-ZRDSACAASA-N 438.550 0.339 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740694123 ZBVAKZJZOYIVDD-XUTLUUPISA-N 432.488 0.622 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740695399 PTAPYAHJZUTJGS-UHFFFAOYSA-N 439.545 0.985 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1760184961 NDGSSROSNLHAOR-SJORKVTESA-N 443.529 0.859 30 10 ICEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760449710 RXMXIBACKYJWNR-UHFFFAOYSA-N 426.481 0.848 30 10 ICEE CNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767693369 CUHBVBAPSVRGFU-CZIZESTLSA-N 429.525 0.965 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1n[nH]c(C)n1 1770042952 DRKCEFUGRGVNIY-WMLDXEAASA-N 429.529 0.848 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255700803 IPILRAQGHCQBHT-MPBGBICISA-N 433.318 0.854 30 10 ICEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 505141354 HFJQEKLQVNSVNR-DLBZAZTESA-N 431.514 0.964 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccnn2CC2CCCCC2)c1=O 531012825 QWTFHQSICIDNFQ-UHFFFAOYSA-N 428.493 0.959 30 10 ICEE C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H]([C@@H]1C(=O)OC[C@H]1O)S(=O)(=O)O 575167593 CVWRSNZBRKRAAY-PXTTYALNSA-N 432.535 0.909 30 10 ICEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn4ccccc34)c2=O)c1 729672344 JDYMMBFGNBAIFX-UHFFFAOYSA-N 425.473 0.777 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664097 CEHRXMGEBCUGGV-WMZOPIPTSA-N 448.545 0.427 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 824403794 BIIJMYQGFNHYHY-GJGORFQUSA-N 444.492 0.296 30 10 ICEE CC(C)(C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccc(C#N)cc1 1136948395 CILSKZIRIRNDQN-SFHVURJKSA-N 432.546 0.283 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 1175514724 FXFOHOPXWGDNFT-LBPRGKRZSA-N 448.314 0.967 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286395916 STEGGBAFUAGKFT-CVEARBPZSA-N 440.591 0.997 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(OCCOC)CCOCC1 1286398166 HEOJCKWSVSVHEB-UHFFFAOYSA-N 429.521 0.799 30 10 ICEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cs1 1290418765 YUYKRHAQSKYBLG-IAGOWNOFSA-N 440.526 0.625 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1296328951 GULKNGMPHICAMU-ROUUACIJSA-N 446.533 0.750 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301475749 XQYCGFTUXVRSMH-MRXNPFEDSA-N 441.540 0.614 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C)cc(C#N)c3=O)CC2)cc1 1459129071 GLJXCEVJNVUGRL-UHFFFAOYSA-N 442.497 0.764 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 1460637456 WBQLWGRCOUHGLV-MSOLQXFVSA-N 425.574 0.838 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1507653476 QQLOGMHUFBOCDM-UHFFFAOYSA-N 443.471 0.841 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1507716929 WLHGNNIQHNGQTC-UHFFFAOYSA-N 435.532 0.506 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1508058702 DNPOCLNAEGZRGM-UONOGXRCSA-N 440.551 0.831 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509021677 MMTBCKAFDNDCAT-HQSFBDMMSA-N 429.481 0.959 30 10 ICEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1517827602 KOKIADQXLSAZBM-MSOLQXFVSA-N 437.504 0.635 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1525109724 QJLHTRMHTPAWSW-LJQANCHMSA-N 447.557 0.777 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539460199 ZVKHQZFLYOTJPB-GOSISDBHSA-N 431.566 0.330 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1539731145 YWYHRGUBLUCRQA-HOTGVXAUSA-N 428.559 0.002 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1588646020 FYDOMMLZGSQSHF-MXLIYFDZSA-N 428.493 0.785 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)SC)CC1 1588929984 KMHJPWVWZICXOS-GOEBONIOSA-N 439.607 0.898 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1594963896 ZIPSHJMSGZZHIV-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1595551569 RXBYWXVCWVJHFF-IERDGZPVSA-N 426.477 0.795 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1610904937 YHBABWSVGMOJSM-CRAIPNDOSA-N 427.527 0.482 30 10 ICEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)S(C)(=O)=O 1615619357 IBLSZXNWIRCSDM-QGZVFWFLSA-N 445.549 0.800 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1622498601 OQPTTZWPGCVKDC-UHFFFAOYSA-N 429.417 0.618 30 10 ICEE CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1626004025 LNEQSHSPKSREBX-CAPFRKAQSA-N 439.519 0.973 30 10 ICEE N#Cc1nc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1Br 1626723628 CFIRSLWKXZKTMM-UHFFFAOYSA-N 440.283 0.977 30 10 ICEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417495 GSFVVDZEFBCYBI-ROUUACIJSA-N 442.559 0.313 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC2(C#N)CCOCC2)cc1 1639126062 FDCKBYROIAERAM-UHFFFAOYSA-N 436.534 0.883 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 1643372438 LLYIOIIBOJBINZ-UHFFFAOYSA-N 434.562 0.116 30 10 ICEE C#CC1(O)CN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 1646381810 GPBFZAXEDDLLIA-UHFFFAOYSA-N 440.294 0.956 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1674887898 LNSIUHQLEQNPTP-OAHLLOKOSA-N 425.507 0.758 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689987822 CRHPVSGCLGDZBD-SIFCLUCFSA-N 447.517 0.357 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690668278 YWVBBGNULATXKH-HZPDHXFCSA-N 429.525 0.943 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690673032 LYQVGGFXTRVROQ-LJQANCHMSA-N 425.537 0.725 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690674758 DJEWGRKVVWPEON-MRXNPFEDSA-N 440.504 0.979 30 10 ICEE CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1695043998 APZXNUYSQNJGKS-MPGHIAIKSA-N 428.559 0.758 30 10 ICEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705536274 LUKMQONFRLJYKW-UHFFFAOYSA-N 449.519 0.144 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722367663 WVNFDTLNVCZWLW-PXNSSMCTSA-N 447.586 0.759 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722690128 FWOJXHCMVWRFCW-ZNMIVQPWSA-N 427.575 0.109 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722700087 WCXPCSGZLWUJPM-MRXNPFEDSA-N 426.587 0.887 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1740551213 KRJMRKSKELRJQN-LSDHHAIUSA-N 440.570 0.231 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740622813 IXGBMFVRJLKYII-HZPDHXFCSA-N 444.517 0.308 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCOC2)n1 1740689484 XIDWOIVPEGFHPB-SJLPKXTDSA-N 427.509 0.748 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740695591 YBESRGCDYOISTQ-SFHVURJKSA-N 448.522 0.790 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC(=O)NC2CC2)CC1 1740700886 MCXSOQMWXWUAJG-PXNSSMCTSA-N 430.553 0.816 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748825184 WIZLHYOWXDWSEC-CVEARBPZSA-N 444.579 0.266 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1749020392 REWSZGSKMBJWHM-UHFFFAOYSA-N 428.566 0.941 30 10 ICEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749187898 VWBAIHARUWMNHJ-UHFFFAOYSA-N 443.537 0.864 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC 1760244827 ITMPAGGUPZYCNE-UHFFFAOYSA-N 433.534 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)CC1 1760269387 GVBXXDTVJLTCEP-SFHVURJKSA-N 449.577 0.573 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1771281451 IKANVMHHFOKTFF-NEWSRXKRSA-N 433.557 0.762 30 10 ICEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562138 OWAOITPSGLIXSV-IRXDYDNUSA-N 428.537 0.981 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)O 2248446124 WAGWTKNHTIJGHV-JTQLQIEISA-N 442.347 0.862 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)n1 2267118276 YABHTOBIIRPHHT-UHFFFAOYSA-N 448.293 0.509 30 10 ICEE C=C[C@]1(O)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270518871 MGJCILLYVLHSJV-LPHOPBHVSA-N 426.491 0.797 30 10 ICEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)S(N)(=O)=O 2282826103 OOFXXIPNVXIRLI-QMMMGPOBSA-N 444.793 0.656 30 10 ICEE N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 29701044 HFQLKSMWRXFQTH-UHFFFAOYSA-N 427.914 0.345 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 254557045 CUAHDSCRCWWZFP-FZMZJTMJSA-N 426.472 0.924 30 10 ICEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 505952684 CMZNZTYUSVKWJW-GOSISDBHSA-N 434.518 0.576 30 10 ICEE O=C([C@H]1CCCN(CC#CCN2CCC[C@H](C(=O)N3CCOCC3)C2)C1)N1CCOCC1 530360275 SONCZTLECGUWBP-VXKWHMMOSA-N 446.592 0.131 30 10 ICEE O=C(C1CCN(CC#CCN2CCC(C(=O)N3CCOCC3)CC2)CC1)N1CCOCC1 530419525 ZLUPTNXQDJDYFX-UHFFFAOYSA-N 446.592 0.131 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 555238267 JUHGAPVLLMMYLO-GJYPPUQNSA-N 441.554 0.571 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 590928074 QCACKZAMSBEJKY-UHFFFAOYSA-N 444.532 0.410 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 603800390 XAWFDFHPGCQQDJ-KRWDZBQOSA-N 427.526 0.663 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)C1=O 856656821 KCQBSDLYZGFZQE-SFHVURJKSA-N 443.504 0.878 30 10 ICEE Cc1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)cc1B1OC(C)(C)C(C)(C)O1 1138205100 PXJKUDNDJFLWJR-UHFFFAOYSA-N 425.360 0.856 30 10 ICEE N#C[C@@]12CN(C(=O)CNC(=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1178757295 NUSMXDCXEAOXCZ-LRDDRELGSA-N 426.292 0.576 30 10 ICEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389218 ZIKFFTIKSUUWBX-HNNXBMFYSA-N 445.501 0.389 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286540434 BCNZNMUGDMDTED-VXGBXAGGSA-N 445.343 0.303 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 1286663907 RHBVGTVZCGXGQQ-QGZVFWFLSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286785859 KWXPEOXMPAHAFH-QGZVFWFLSA-N 437.504 0.494 30 10 ICEE C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)n1 1297349452 CCVDYRDISUMYCG-UHFFFAOYSA-N 438.531 0.247 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1300302692 CLCYSKJTAPCOJJ-CYBMUJFWSA-N 429.506 0.943 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300404445 WOIQVVFFVGMFTH-UHFFFAOYSA-N 426.525 0.073 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCOCC1 1300464328 BGTUBJCNKJSCHZ-KRWDZBQOSA-N 441.554 0.266 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300487131 GVLGMGLKHWPMOH-OAHLLOKOSA-N 446.533 0.182 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300498754 MVYIHTFHMVKBQE-MSOLQXFVSA-N 431.518 0.306 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1301588734 ITXJKKNHLIMRGP-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1301967736 FZJVCOJTLDVZGZ-ZIAGYGMSSA-N 429.568 0.601 30 10 ICEE CN1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1314926047 DJSJVIPRWGUPMF-ZZEZOPTASA-N 439.451 0.889 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359301393 YARKPFIULMGXKW-UHFFFAOYSA-N 431.585 0.913 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)C2)C1 1443862376 AVCOLDHRZIRDHV-YYHKSVKZSA-N 426.539 0.923 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)s1 1467656534 MKTXZDQDDNADJS-AWEZNQCLSA-N 447.604 0.781 30 10 ICEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1O 1505270126 JVEASFNVWUOGGG-QAPCUYQASA-N 448.549 0.827 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CCO1 1505321510 BPXGOVWOPAGGDK-NVXWUHKLSA-N 439.538 0.495 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1 1507703054 PSQZAPAZBMVKQF-UHFFFAOYSA-N 425.555 0.860 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508090989 QVORCOOKQZOOFH-GOSISDBHSA-N 429.569 0.981 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1539231443 SEVSSVWOTIWUSB-MRXNPFEDSA-N 449.533 0.902 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCO[C@H]1C 1539306841 LDWJCYYMQZNJOG-HTAPYJJXSA-N 432.488 0.924 30 10 ICEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1540019331 GYACUSGVHXDYOH-UHFFFAOYSA-N 449.537 0.600 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1547259287 FMTFWVPPVLOMGP-NRFANRHFSA-N 425.493 0.957 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588024590 HMRHQGZTJFFBLE-QZTJIDSGSA-N 448.593 0.481 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1588613345 XSSCQBYNNNBVLC-HNNXBMFYSA-N 440.460 0.748 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1593735244 AGHZQLQDXRRGOL-INIZCTEOSA-N 432.481 0.550 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1595569262 CXJMZWQCYIWYPZ-GOSISDBHSA-N 445.568 0.251 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1595785416 ZXRXDRADXCYLNB-UHFFFAOYSA-N 439.563 0.954 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1618309390 MGKDALOXVKBZMO-LJQANCHMSA-N 434.522 0.608 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)n(-c2cccc(F)c2)c1C 1620608191 HCCXGLXGMMJESU-QGZVFWFLSA-N 446.508 0.878 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 1623086056 VVKAZOALAAIVMD-UHFFFAOYSA-N 442.563 0.627 30 10 ICEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(Cl)c1OCC(N)=O 1626655965 OMFSDIFDXOJLJJ-GTNSWQLSSA-N 427.866 0.223 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1 1628213988 XJVCKCUBSOYARW-UHFFFAOYSA-N 435.502 0.224 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2SCc2cc(C)on2)CC1 1636475672 RRMWAWQVYULAID-UHFFFAOYSA-N 435.531 0.896 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1 1682575232 KRCDWYWNPFXTBD-HXUWFJFHSA-N 449.577 0.163 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689986384 OLUMAZFAKSTOMT-DOTOQJQBSA-N 449.558 0.402 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689991683 BCNYISKZDZWGSX-SFHVURJKSA-N 429.546 0.892 30 10 ICEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1690101176 QZNOSOAJVFBAOR-UHFFFAOYSA-N 433.538 0.412 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)NC)c1 1705506892 LJQMWQUSFKJRQC-MRXNPFEDSA-N 446.533 0.387 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705515516 GFOLPLJITHCXGT-QGZVFWFLSA-N 436.520 0.853 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1712711589 QZGTWSMIEYYJKM-LJQANCHMSA-N 432.506 0.362 30 10 ICEE C#CCCCn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722331700 PMRBWVXNVMRBRZ-UHFFFAOYSA-N 435.492 0.220 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1722363648 UOYCBYOSSMUJRX-ZDUSSCGKSA-N 430.469 0.283 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1722366777 KJSQROJYUVRPHS-MSOLQXFVSA-N 449.577 0.715 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722703817 ITNZKZHAKFRLTQ-FGZHOGPDSA-N 448.568 0.533 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1 1740603340 OQAYZWJSJCDJKP-UHFFFAOYSA-N 431.518 0.667 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1740685262 DKUTWSBWXOHSSU-MSOLQXFVSA-N 437.566 0.525 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1748812529 VPNZMKKFICMWDX-MRXNPFEDSA-N 449.558 0.568 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1760173721 AZWAJSQEMPMOJW-ZWKOTPCHSA-N 438.598 0.801 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1760206094 QWFJRALVBFHTHA-QZTJIDSGSA-N 442.545 0.654 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760432909 OHGLTEVKXPAWON-UKRRQHHQSA-N 425.559 0.895 30 10 ICEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1768320374 YZIPJMRLEGLKSD-ZJFXZWFHSA-N 431.518 0.946 30 10 ICEE CNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1769360612 OYKFMDPCJAGBES-YOEHRIQHSA-N 429.481 0.976 30 10 ICEE Cn1c(C(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc2ccccc21 1856850707 QSTIEYWKKYZANI-MRXNPFEDSA-N 429.502 0.390 30 10 ICEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCNS(C)(=O)=O 1860928838 HTDYXMSLXSELTQ-KRWDZBQOSA-N 425.507 0.271 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627699 XDNISIDMOFPSKR-FQEVSTJZSA-N 436.318 0.811 30 10 ICEE Cc1nc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282842020 ZYBCUKCVUJVYBK-CYBMUJFWSA-N 427.332 0.602 30 10 ICEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 409541105 NOZJNEWUAHRJGD-CYBMUJFWSA-N 436.581 0.585 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 512713635 DZETXUZBCGMFLI-UHFFFAOYSA-N 437.460 0.148 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 514644892 DSKDMHIRYSBXJB-HNNXBMFYSA-N 449.479 0.633 30 10 ICEE CN(C)C1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 536227489 QDAMBKIOSPBGFF-UHFFFAOYSA-N 448.593 0.600 30 10 ICEE CCOC(=O)C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 540549485 OBIQVKSPWAUEBH-LJQANCHMSA-N 432.496 0.925 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543658440 OQQXMZIOFGEBRM-UHFFFAOYSA-N 428.470 0.508 30 10 ICEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@@H]1CCS(=O)(=O)C1 729332219 WNAVIBTVXPREOA-CYBMUJFWSA-N 434.923 0.784 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cn1 734602318 FYDUHEJZCUAJQT-LJQANCHMSA-N 436.424 0.621 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 767681026 PKJJTGGUTOKNPQ-XJKSGUPXSA-N 431.474 0.616 30 10 ICEE C[C@H]1COCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 769271565 WLIYNOGUHWDPOX-RDJZCZTQSA-N 435.502 0.607 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)ccc1F 783075946 RCADYBYMCVGCBA-MRXNPFEDSA-N 449.508 0.945 30 10 ICEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ncccc3C#N)CC2)C1=O 796258872 DNEDPOVNJGIRGE-HSZRJFAPSA-N 447.499 0.964 30 10 ICEE C#CCNc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1 804523663 YIUIFLCUJSMOGS-IZKTWJBDSA-N 438.536 0.759 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 838227373 FMCJNMXFIUYVLM-UHFFFAOYSA-N 438.513 0.165 30 10 ICEE COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1171306279 GLTREKSHKHHCOR-CVEARBPZSA-N 433.534 0.211 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1252135462 IJHNIDSXOCYFQP-CABCVRRESA-N 442.501 0.803 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286693161 MPJZALASQCBUGG-HZPDHXFCSA-N 440.570 0.682 30 10 ICEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286714730 VBFDPKACERIVNE-LJQANCHMSA-N 438.532 0.803 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cc[nH]n1 1300520448 KBIBLKUWLPXJCG-UHFFFAOYSA-N 441.459 0.147 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1300630584 FEYBTBBVHCIBIF-QFBILLFUSA-N 425.555 0.886 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1 1300676907 WNQFYMUWLPDDGX-IKGGRYGDSA-N 426.539 0.523 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301491552 KXCUDLIBMYESNR-UHFFFAOYSA-N 437.548 0.992 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301587347 NQRHOEKEFDGGHX-MRXNPFEDSA-N 448.524 0.823 30 10 ICEE CC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1N1CCOCC1 1306396638 JAJNBLTWEQUSLW-LGCYAQKOSA-N 429.525 0.660 30 10 ICEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358933618 ZLELCQHIPXGCIK-UHFFFAOYSA-N 449.519 0.648 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358960903 NYNLKLKGNNFDSL-MRXNPFEDSA-N 432.550 0.683 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507631962 HMFKVQJAKNWFMI-JKSUJKDBSA-N 448.549 0.987 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507751783 OFVNRMSURHJKNN-HNNXBMFYSA-N 426.506 0.574 30 10 ICEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507910608 WTPNEEZQZWNXSU-UHFFFAOYSA-N 444.544 0.354 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508089683 YXCXDRIOJSSKKA-UHFFFAOYSA-N 443.552 0.398 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508092424 CAKGDZGWRUFBDG-CVEARBPZSA-N 440.504 0.883 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1508413242 GRXZSUPXQXEFQP-CYBMUJFWSA-N 425.536 0.989 30 10 ICEE CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1515475630 DVTGTSKCMXWDIH-JKSUJKDBSA-N 438.554 0.558 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)c1 1539042514 HFZBBNJJIDTGKE-QZTJIDSGSA-N 438.488 0.701 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1539574116 HLWSFJMFYKNWNJ-UHFFFAOYSA-N 429.319 0.620 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)CC1 1540875580 QGVPMRZTUWKSEC-UHFFFAOYSA-N 428.493 0.884 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540902911 UERRZGZQVHAXAA-LSDHHAIUSA-N 425.511 0.414 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541160930 UISUGDBSTDONHM-PVEMMZBWSA-N 428.497 0.316 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1547715194 GPIUKPKKEDDDCJ-SJTPKYKMSA-N 429.525 0.839 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c1 1558752155 XNNBJUQNDIDGKB-MRXNPFEDSA-N 432.506 0.164 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588024986 QXPMYBCFUVWERG-HZPDHXFCSA-N 425.555 0.858 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)C(=O)C1 1640708917 LFLSZVQCHKRGLW-KRWDZBQOSA-N 449.577 0.516 30 10 ICEE COC(=O)c1sc2c(c1Br)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1642364351 RDYQNRZOAVOQRS-UHFFFAOYSA-N 439.247 0.974 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1653357321 IQQYYQKZELFKOM-HKOCCSETSA-N 434.250 0.740 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC)C2)CC1 1690144007 JBVQDDQULOADHI-SJLPKXTDSA-N 427.553 0.537 30 10 ICEE CCOCc1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696309959 KNJLQICYSFNCNR-ZBBYCGENSA-N 445.524 0.694 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNS(=O)(=O)CC)CC1 1705636656 SONTYDYOEIXQHD-UHFFFAOYSA-N 432.550 0.648 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1722366758 JPXHRNNMCTVTMG-IRXDYDNUSA-N 437.566 0.919 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1722450711 BXUOMMMGZHHLTA-AWEZNQCLSA-N 428.584 0.313 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCOC1 1740637091 PTCGPXOMDSYSGX-HXUWFJFHSA-N 428.518 0.462 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740715409 AASYCJUQUQNTKI-INIZCTEOSA-N 433.582 0.242 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740716020 SBGKBXUVAWMJOA-OAHLLOKOSA-N 428.522 0.518 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740990919 JPSKNJBFSXGWOV-SJORKVTESA-N 436.582 0.895 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNS(=O)(=O)CC 1748842735 ULFIPBUQNBIRFU-UHFFFAOYSA-N 432.506 0.408 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1748852017 SWXMLZWPXAGKKU-UHFFFAOYSA-N 433.516 0.753 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1748886501 FERVECPTOVEJLF-UHFFFAOYSA-N 427.534 0.789 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1748929527 LNKYWRSEYSDGKT-KRWDZBQOSA-N 444.561 0.920 30 10 ICEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1751046591 BCMACFWTVMFJAC-MAUKXSAKSA-N 444.533 0.868 30 10 ICEE C#CCN(c1nnc(C)n1CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760181668 ZMKMMQRZIPGEDI-INIZCTEOSA-N 437.547 0.103 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760530256 MKCQTINYFRBBJT-LQBOVUBWSA-N 448.568 0.605 30 10 ICEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1769063930 BQEXTZARUAPDIB-JOCHJYFZSA-N 439.520 0.497 30 10 ICEE COc1ccc(-c2cc(=O)n(CC(=O)N(C)C3CN(c4nccnc4C#N)C3)cn2)cc1 1849875670 RLORPXFXYQQRQI-UHFFFAOYSA-N 431.456 0.928 30 10 ICEE Cc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1C#N 1854978817 ZVUISOUSROPIBW-RBUKOAKNSA-N 430.530 0.413 30 10 ICEE Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1C 1856838824 SVSSDUXCYGMPLY-IBGZPJMESA-N 432.546 0.835 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247840671 QUJSMCGWQUKXTB-CAEXGNQWSA-N 426.319 0.926 30 10 ICEE OC[C@@H]1O[C@H](n2c(NN=Cc3c[nH]c4ccccc34)nc3c(O)ncnc32)[C@H](O)[C@H]1O 254606838 PQLLPXFBPVTMJG-FRQROOTJSA-N 425.405 0.071 30 10 ICEE CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 477600310 HGWIEJYEAXHQRK-UHFFFAOYSA-N 425.532 0.872 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1C#N 489068957 GNLCMFACRPLULV-UHFFFAOYSA-N 430.515 0.838 30 10 ICEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C#N 489086712 ZYPOSOUQKWSCKA-UHFFFAOYSA-N 442.544 0.823 30 10 ICEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 524184679 NMZLSECGQSVIKP-LJQANCHMSA-N 443.548 0.807 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 540346659 PFXAZJVABKBYCT-NRFANRHFSA-N 432.613 0.555 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 549276020 NKEMPVZSMYNWFE-GJZGRUSLSA-N 426.543 0.150 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)[C@@H](C)O)cc1C 729263903 FVGAYSPVOPUHRO-VYDXJSESSA-N 425.507 0.635 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOCC 781662185 PGZADFVFUVUEBJ-UHFFFAOYSA-N 442.541 0.772 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2nnn(C)n2)C1=O 782823229 XRMWCVRBKGFVBA-AWEZNQCLSA-N 434.501 0.549 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 1231235309 ABTYFQQLHDPOAQ-UHFFFAOYSA-N 435.428 0.274 30 10 ICEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1286738967 KPXQQJQBEHTVSU-QOKNQOGYSA-N 426.539 0.707 30 10 ICEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301036647 DXMDEERHIHQVJA-NFAWXSAZSA-N 429.522 0.049 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359300121 ULWJVLLPTMBWNB-OAHLLOKOSA-N 426.543 0.340 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507831864 HBLTTWHYCUEEKR-KRWDZBQOSA-N 437.566 0.832 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1517105523 JRUCBYCAVMMSCP-IAGOWNOFSA-N 428.518 0.967 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)c2cccc(O)c2)cn1 1517376411 QILPQKLZAOXGJW-GOSISDBHSA-N 436.476 0.933 30 10 ICEE N#Cc1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1Br 1542147211 AWZMGSULPYJLQC-UHFFFAOYSA-N 433.262 0.754 30 10 ICEE CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1561562586 DAZPSDDIXBOJFB-UHFFFAOYSA-N 443.547 0.983 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1C#N 1567646024 OOHHBEPMSGNXAD-UHFFFAOYSA-N 430.465 0.999 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1589546879 RZAOSKSLHSHLPG-NXOAAHMSSA-N 437.566 0.863 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595467251 QRPWYKFYLCOLFT-HOTGVXAUSA-N 441.492 0.612 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1595497140 RBRMVUIUNWEKHK-UHFFFAOYSA-N 434.522 0.223 30 10 ICEE N#Cc1ccc([C@@H](C(N)=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1620450859 IATMBZIAMGGICI-FQEVSTJZSA-N 427.530 0.681 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1690345782 CWLSHRFNKNBBQV-WBMJQRKESA-N 432.934 0.065 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)C1 1690700275 PWYQCYFIRULKKT-RCCFBDPRSA-N 439.582 0.682 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1690840086 DSRLHCXHYRHQFO-UHFFFAOYSA-N 435.492 0.659 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCCCO 1705495284 NQKNJMNYKBXTPV-HUUCEWRRSA-N 431.584 0.185 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705651762 HDNPHEQAJHYBJG-OWCLPIDISA-N 426.612 0.928 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705903482 WWJVGOBZGCDTSN-QGZVFWFLSA-N 432.525 0.159 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722692497 OANMYKOZIVEJAY-QGZVFWFLSA-N 446.552 0.838 30 10 ICEE CN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729308738 BESZTMFBXWLPGD-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCOC2)n1 1740689194 QZGVHCRNYCPAHO-LAUBAEHRSA-N 430.509 0.416 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740757068 MXDBTZAVACERTO-XLIONFOSSA-N 442.568 0.870 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740875520 FDDMWIULAVTTNC-CABCVRRESA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1740964736 HOALCVODXZBUQL-DQLDELGASA-N 435.525 0.617 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1744755839 FXXQMBCARGBNGI-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748803424 YNDTZIDNRBURKP-GOSISDBHSA-N 449.577 0.958 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749434193 KUESJLRHPJWPJT-UHFFFAOYSA-N 445.568 0.348 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCn1cncn1 1751189977 BSQBUOBWCJARDO-CQSZACIVSA-N 429.510 0.688 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)CN2CCOCC2)CC1 1760251649 FPFMVODVYDCBMD-LJQANCHMSA-N 445.612 0.920 30 10 ICEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1769491288 KFJALUDSMMAWAK-GOSISDBHSA-N 449.533 0.730 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1770202087 MRBHJGGQWAQEFT-YRBFXIGRSA-N 427.502 0.879 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1770335753 HMDMXFKGIHQNFT-UHFFFAOYSA-N 437.547 0.875 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCO)CCN1C1CC1 1770748841 SETXMGHLQCLTRO-WMZOPIPTSA-N 436.582 0.909 30 10 ICEE Cn1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255665446 GKIOTPPEMUYGSX-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1 2256883003 QOLTWPYIZMGMMV-AWEZNQCLSA-N 430.270 0.514 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268714257 ICSCLBCDCBSFJH-CWRNSKLLSA-N 449.313 0.660 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2317675210 LRPGTXPTAQZHND-ZDUSSCGKSA-N 438.334 0.989 30 10 ICEE O=C(NCCCN1CCOCC1)c1cccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 20354719 BKFMGRYXJZKXIB-DLBZAZTESA-N 438.575 0.628 30 10 ICEE CN(C)c1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443824 KMXPUOBEJUULIT-HZPDHXFCSA-N 435.488 0.761 30 10 ICEE C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 425912865 DPBPEZPWYIVPJK-DYESRHJHSA-N 434.562 0.874 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 460800443 CGVSUKDFDYHGAM-CABCVRRESA-N 447.583 0.201 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 461414908 ARNXJFQYBOWXDS-HOTGVXAUSA-N 429.543 0.286 30 10 ICEE CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483671594 OXPDSLWPQFVENS-UHFFFAOYSA-N 444.517 0.887 30 10 ICEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n1 546098486 AULILCVMRWQUHL-UHFFFAOYSA-N 434.435 1.269 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCOC)C1 555272123 FSEUIHMECREASO-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)O)cc1 560909364 KQXCAFFVZIFKIB-LPHOPBHVSA-N 443.529 0.638 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 603989520 BFUMGQJHKOGFTO-OAHLLOKOSA-N 441.509 0.845 30 10 ICEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 619840573 RNIYRAAGCMZMBP-PBHICJAKSA-N 430.506 0.480 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCN1C1CC1 732705580 CVTMCVJIQZNGQA-KRWDZBQOSA-N 431.518 0.608 30 10 ICEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787779201 WDXLTVFPEZGFTA-UHFFFAOYSA-N 434.500 0.703 30 10 ICEE Cn1c(CCC(=O)N[C@@H]2CCN(O)C2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 816694677 LAAWUHGPYYCODW-OAHLLOKOSA-N 449.533 0.787 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1 839202890 JDEFDQANSZYCLL-CYBMUJFWSA-N 441.488 0.426 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@H]4CCC[C@H]43)C2=O)cc1 1140808078 FPWRAYIQNMLDTK-ZACQAIPSSA-N 430.486 0.941 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCOC(C)(C)C2)CC1 1286471746 NZKZCPGGSCZSBT-IBGZPJMESA-N 434.585 0.868 30 10 ICEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1286916153 GTSWRKYMNAZYNY-UHFFFAOYSA-N 445.549 0.813 30 10 ICEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302438557 GKJUHDDWWNIYDG-AMGRQBIBSA-N 448.549 0.770 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305548406 ULMMUMQGYLISCW-DXNFXHBHSA-N 442.524 0.874 30 10 ICEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1309862311 CFPWYKOUXPFUGG-KRWDZBQOSA-N 446.547 0.884 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1315743381 IEEPSPDLYTWYBM-JOCHJYFZSA-N 440.504 0.917 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1358978450 NCFNZXCIKAPBPX-KRWDZBQOSA-N 441.513 0.165 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1359291555 VJJBTWBNPDIZIG-UHFFFAOYSA-N 431.541 0.117 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c(=O)n1CCO 1459234695 DWHJVNUIQXAHHD-UHFFFAOYSA-N 440.378 0.440 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507626141 MXSTXKHCINHFHR-KXBFYZLASA-N 426.539 0.328 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507631493 QBOXNTWMZDDFCO-CGTJXYLNSA-N 448.549 0.357 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507632181 JOAYPTUMLQXGNE-DLBZAZTESA-N 428.518 0.494 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(CC)CC)CC1 1539476653 CNVZOMMGAYGGIP-WMZOPIPTSA-N 429.569 0.925 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1540863185 QUUDHZXRRUDWNR-HOCLYGCPSA-N 440.570 0.443 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1540897508 KUCCVDBDSSHFEH-MRXNPFEDSA-N 448.553 0.548 30 10 ICEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1552656101 APOQYNYQIPHTCD-ZWKOTPCHSA-N 437.504 0.902 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)n1 1562762625 SXOMTMZYHOFRFT-UHFFFAOYSA-N 426.477 0.754 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccccc2OC(F)(F)F)C1=O 1584431663 HYZPXMYKLHHSFH-ZDUSSCGKSA-N 443.334 0.892 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595496700 DWIKVDJAAWOHTP-QFIPXVFZSA-N 440.504 0.981 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)C2)c(=O)nc1O 1607488950 MNSIUHGLIOZVJJ-UHFFFAOYSA-N 449.876 0.565 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1625651974 ZEOOYVHMTKGHDQ-AWEZNQCLSA-N 434.522 0.451 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)s1 1630275284 PHOARWQPXZOBJI-DOMZBBRYSA-N 437.547 0.799 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)CC1 1636475766 WMCQMMZYGOSWIC-UHFFFAOYSA-N 433.490 0.319 30 10 ICEE CN(C)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1=O 1643673599 SFPOMCRJHDEHPL-FQEVSTJZSA-N 430.528 0.240 30 10 ICEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1=O 1652848562 CWOMQOVOUFVGMQ-UHFFFAOYSA-N 441.532 0.413 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)n(-c2ccc(F)cc2)c1C 1655680386 DQXATUJHYIJDPE-QGZVFWFLSA-N 446.508 0.878 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 1662588336 OYLFWSHABSFKRL-UHFFFAOYSA-N 432.315 0.785 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1671185802 NEIICHHEMIUDMY-MRXNPFEDSA-N 438.550 0.677 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1689945650 HCPDJTPMOBSUPX-APWZRJJASA-N 446.577 0.573 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1689998423 LQPSAIBMSFMDHR-BBWFWOEESA-N 426.539 0.665 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1690076999 GKMMCSRJHZQLAA-MRXNPFEDSA-N 434.522 0.522 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)CC1 1690124271 IFPXGQUIMYJPRF-QGZVFWFLSA-N 434.522 0.008 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCOCC1 1705843440 FIEHLIOHNNCWHN-QGZVFWFLSA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705933487 ISHIQZHQDKWIRU-QGZVFWFLSA-N 444.517 0.369 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1722353361 OGLFHEBHEYPVPA-UHFFFAOYSA-N 434.504 0.827 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362024 RDCZZWQNOFZMDW-QGZVFWFLSA-N 448.549 0.237 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722699798 YQLNRABPPCIGSB-IAGOWNOFSA-N 437.566 0.735 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1730827762 WMQGXZPSXNUZBN-KBXCAEBGSA-N 427.527 0.292 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1740610980 QAQIJSOIHMQYHO-MSOLQXFVSA-N 436.582 0.697 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCOCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740615608 HVFSJSFBOQZLKS-OAHLLOKOSA-N 446.595 0.264 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sc(C)nc2C)CC1 1740689754 CQHZVWFHGHNLGN-CQSZACIVSA-N 437.595 0.765 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1740990281 ORBSMFQAWUWVJU-UHFFFAOYSA-N 434.526 0.187 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748773303 WFFSENCMWKYRID-HZPDHXFCSA-N 447.565 0.626 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1748845921 BXGKHLBXROKHKD-MRXNPFEDSA-N 427.534 0.619 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1748962822 RSZFANVQAIKHRH-SJORKVTESA-N 432.550 0.725 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)CC)CC1 1748979371 YDNUMGUGHFGXQD-LJQANCHMSA-N 425.555 0.120 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749037300 DHQIEORKONEMFQ-JKSUJKDBSA-N 437.591 0.748 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCOC2)CC1 1760266020 OGUFXCNUKMPIIU-FCHUYYIVSA-N 447.536 0.047 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CC2)CC1 1760273261 MYKGXGJKNJLCDA-MRXNPFEDSA-N 435.550 0.673 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760514720 LOHAURVTVPGGKX-INIZCTEOSA-N 431.541 0.559 30 10 ICEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1761436909 DXPHRYFAQOKFQR-MDZRGWNJSA-N 440.545 0.590 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)CC1 1890123235 MNTNCMQSZQNOHW-OAQYLSRUSA-N 447.624 0.045 30 10 ICEE Cc1cccc(C(=O)NCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890259621 HRRXDUJTKBIHKE-UHFFFAOYSA-N 426.561 0.983 30 10 ICEE CO[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108229721 VJGJHUZEXWBTMK-CRAIPNDOSA-N 427.454 0.892 30 10 ICEE N#Cc1c2n(c(=O)n(CC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)c1=O)CCC2 8935712 PYTMZRACYXNZHQ-OAHLLOKOSA-N 428.470 0.048 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2CC(N)=O)CC1 60296371 XEOBVFZRLYDWFP-KRWDZBQOSA-N 433.534 0.121 30 10 ICEE CC(C)N(C[C@@H]1CCCN(C(=O)[C@@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687170 FFCZTGHLFGRVDJ-AEFFLSMTSA-N 448.373 0.582 30 10 ICEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O 440382645 NXYYSODPEWGWRI-HNNXBMFYSA-N 429.498 0.352 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cs1 489221862 UZGJOKMOXGQETF-UHFFFAOYSA-N 427.533 0.722 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 501996766 YEBBORCKFKXPJY-INIZCTEOSA-N 427.530 0.384 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 532902233 WDYZYLXLIVLDGW-UHFFFAOYSA-N 428.518 0.082 30 10 ICEE Cc1nn(CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1S(=O)(=O)N1CCOCC1 535122177 UYKZCMVUMMRVRT-UHFFFAOYSA-N 438.531 0.866 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 549276024 NKEMPVZSMYNWFE-LSDHHAIUSA-N 426.543 0.150 30 10 ICEE CNC(=O)c1cncc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 731964994 SHBFWTKESXCTSZ-DAXSKMNVSA-N 439.497 0.859 30 10 ICEE CN(CCN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)Cc1ccccc1 732465160 CWDCGCBMZDAFSH-QURGRASLSA-N 440.548 0.972 30 10 ICEE CCOC(=O)c1ccc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)nc1 732465534 HIZNEBLXGUTXML-VHEBQXMUSA-N 442.476 0.616 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 814249614 VCUNZJVOCRFVID-AWEZNQCLSA-N 449.483 0.356 30 10 ICEE CN1CCN(CCCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1141531616 HTUFLQUKPGYHPE-LJQANCHMSA-N 426.521 0.907 30 10 ICEE CCN1CCC(N2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1142467862 FCFWMJVZZPCMTQ-UHFFFAOYSA-N 433.578 0.855 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1286495646 BKKNVRGJYKWYST-KGLIPLIRSA-N 426.568 0.066 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1300446082 DRYVZRIAUPZQFG-UHFFFAOYSA-N 426.506 0.815 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300485392 VWQNUFVSXLFGCD-CABCVRRESA-N 443.595 0.705 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301499147 YPFJNUTWYFGVJK-NWDGAFQWSA-N 443.430 0.036 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1301589261 PRXWRVLGTLSITN-UHFFFAOYSA-N 440.614 0.678 30 10 ICEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315826153 OECSYVVEHDDWJJ-KRWDZBQOSA-N 442.499 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)CC1 1359035236 OUKQMXFZZXZROE-INIZCTEOSA-N 425.493 0.445 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[S@](=O)C(C)(C)C)CC1 1359044335 CNWOLTPLHWUYKO-MKTHODDLSA-N 448.593 0.742 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 1455116390 YMAKCRMANZOOES-GOSISDBHSA-N 432.546 0.658 30 10 ICEE C#CCC1(O)CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1457988082 YDXGWGKIJJNFKW-UHFFFAOYSA-N 435.546 0.824 30 10 ICEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1460691316 JWJSKHPDGOIJBB-UHFFFAOYSA-N 441.500 0.648 30 10 ICEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 1473851293 CJKOPDUHPPKQCB-SJORKVTESA-N 431.562 0.420 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1 1478953373 HOETZDIUMKDLRP-MRXNPFEDSA-N 439.969 0.961 30 10 ICEE COc1cc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1S(C)(=O)=O 1479588236 WABGWTKFBGUEAI-UVBSCNOISA-N 441.531 0.739 30 10 ICEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1494657267 BGYVUZIIVGMHDL-FOIQADDNSA-N 449.533 0.749 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508146932 DTSSWHHYBKQJMK-QZWWFDLISA-N 428.555 0.810 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539201326 ZZXMYELGIYBMQX-HZPDHXFCSA-N 437.566 0.858 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1540866212 GYWSEBXVYIFVIO-UHFFFAOYSA-N 433.900 0.591 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540869025 ZPBATRZCXXYRBI-UHFFFAOYSA-N 447.565 0.919 30 10 ICEE CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552436146 UYLFWKABRUMSDZ-FOGNVHKLSA-N 429.506 0.533 30 10 ICEE C#C[C@@H]1CCCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1685893169 UZAQVHBIPXVABS-OAHLLOKOSA-N 443.547 0.846 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc([C@H](C)O)cc2)CC1 1690111777 JTYWOPIQLNTWTM-SJORKVTESA-N 446.577 0.745 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690288138 JQMPIIYOTJUMCD-KRWDZBQOSA-N 448.549 0.922 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)C1 1692845669 HGCPQKATWHNKFJ-HXUWFJFHSA-N 429.525 0.813 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705517529 XROBLSHMQVIWAJ-INIZCTEOSA-N 443.595 0.455 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705540234 QXYOMYHYCWLYHY-BBWFWOEESA-N 425.555 0.934 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1705610806 FHBHZKGXEQMVLM-UHFFFAOYSA-N 435.488 0.510 30 10 ICEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705757249 FEWDNZXXDRQPFG-MRXNPFEDSA-N 444.923 0.971 30 10 ICEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1705885365 PCDXJWSKADUEGU-UHFFFAOYSA-N 425.555 0.864 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1712458991 DXWAECFYVOQUJK-JOCHJYFZSA-N 438.536 0.950 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740589950 DFMTUKNTFLWQEO-VLIAUNLRSA-N 448.549 0.408 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740621506 MMZGZIKYESDKGQ-KRWDZBQOSA-N 430.534 0.882 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1740644435 GBLYMJYRISFQCM-YYVVQBKYSA-N 438.488 0.601 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1746536338 CEXZXIYMOJDQPK-QGZVFWFLSA-N 445.549 0.859 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1748816084 WRNVIANRKKVINP-IKGGRYGDSA-N 426.539 0.808 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1748951488 WIUPAJMLQHDDBA-HZPDHXFCSA-N 435.554 0.433 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccn(C)n2)CC1 1749005640 YAVQLFPLMCYBID-MRXNPFEDSA-N 429.525 0.750 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749039515 VXRBGIIROVNJIG-UONOGXRCSA-N 432.593 0.170 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1750075571 GBAPDOMZXLRWIB-DOTOQJQBSA-N 433.538 0.845 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccn(C)n2)CC1 1760264991 JZBBNSVWUCZNEP-UHFFFAOYSA-N 426.525 0.358 30 10 ICEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596517 JZHYGBYMPXVSET-WDEREUQCSA-N 445.251 0.786 30 10 ICEE C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284394482 YRYRKXWAXKVEIS-XCBNKYQSSA-N 425.721 0.813 30 10 ICEE COc1cccc(/C=N/Nc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)[nH]2)c1 21040129 GQQAKGXUYIAMOR-DJKKODMXSA-N 441.477 0.695 30 10 ICEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549637601 CNNLHTFPSLLWCW-UHFFFAOYSA-N 433.538 0.615 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)s2)c1=O 674003956 QLMRREGMZXSLBA-UHFFFAOYSA-N 426.523 0.803 30 10 ICEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706833 QQVHKQAVFDITDI-INIZCTEOSA-N 433.534 0.901 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)cn1 735068503 JCCAHTNCERQCCO-UHFFFAOYSA-N 442.589 0.811 30 10 ICEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 760200536 ZSLAGWBSBGUIIC-SFHVURJKSA-N 434.518 0.656 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cn1 765145290 OOBLXEMZAAJRFQ-UHFFFAOYSA-N 439.497 0.661 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)cn1 767892736 WBYBNKNQWFRYHC-UHFFFAOYSA-N 427.530 0.654 30 10 ICEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 769727057 CIGWPPGJTZHYQP-UHFFFAOYSA-N 444.557 0.815 30 10 ICEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-n2cncn2)cc1Cl 771897749 QZEUWGAISGJSCB-UHFFFAOYSA-N 437.869 0.021 30 10 ICEE CCOC(=O)CON=C(C(=O)NCC1(N2CCCCC2)CCN(C)CC1)c1cc[nH]n1 772312772 ICJUJXJZZLMPPV-UHFFFAOYSA-N 434.541 0.760 30 10 ICEE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O 1083816785 QXSOYPUOFNJBDA-FGZZBPHYSA-N 438.476 0.162 30 10 ICEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc(S(N)(=O)=O)cc2)C1=O 1084116850 HFKUFWILJTYGFJ-UHFFFAOYSA-N 447.458 0.500 30 10 ICEE C=CCOC[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 1155779377 LBLPBMVTFYZYRS-RGDJUOJXSA-N 432.395 0.832 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c1 1160604124 BRXNQYXATZFJIJ-SFHVURJKSA-N 435.546 0.393 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1289200871 AXXDUOXNOFLSQW-LPHOPBHVSA-N 437.543 0.872 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300506147 NOZYLQZJFYPMRD-ROUUACIJSA-N 446.577 0.693 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300972513 MLSMTEMYSXLUJJ-GJZGRUSLSA-N 441.558 0.037 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCOCC2)cc1 1316529200 BSAHREGUMSRNJB-UHFFFAOYSA-N 430.534 0.774 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1359035277 PQFCEWGLIQYFCJ-HXUWFJFHSA-N 429.569 0.091 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1507984135 ULNIAAMJYQTWJB-PWFNWSNSSA-N 433.600 0.780 30 10 ICEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1508697522 CMRKZPVHSHXKQD-MDNHHPLHSA-N 429.568 0.456 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCc2nccn2C1 1510225492 VJSDYRAWUXAUSP-RRFJBIMHSA-N 434.526 0.076 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1516846077 BAILPDBUCHLQSW-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1517029421 JKJBONIJSIQCBZ-OHTQGHCMSA-N 429.481 0.266 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1539013914 KSIUCLGKMCWPDK-YOEHRIQHSA-N 448.549 0.124 30 10 ICEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594617177 WUGAATOZHMLBPD-INIZCTEOSA-N 431.541 0.759 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595785141 RIFIXRVRWJEJFT-KRWDZBQOSA-N 449.581 0.438 30 10 ICEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1639963163 USXJFPGPYHFDBO-IBGZPJMESA-N 432.502 0.723 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454351 GOIQRBBFHZWICY-UHFFFAOYSA-N 439.538 0.560 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 1677848467 SAWIXRGVDTWXJM-HNNXBMFYSA-N 425.580 0.290 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1687205587 BJWWNNILGSROEO-AWEZNQCLSA-N 429.520 0.589 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCc2ccco2)cc1 1698488531 QEMFVUGEJINHGD-UHFFFAOYSA-N 440.485 0.961 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705938217 QKFPIWOZNKRFJO-QGZVFWFLSA-N 447.565 0.178 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1706648047 GWAMFQCVIGPUBR-FUHWJXTLSA-N 437.504 0.968 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1722351059 GDBOQGUXKWIMDL-OAHLLOKOSA-N 438.579 0.942 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1722429076 NCVTUVWYXZCOBY-KRWDZBQOSA-N 437.566 0.131 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722727847 RSMKFYRCXYPXTK-INIZCTEOSA-N 435.554 0.817 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1\N=CC=CC1=O 1723601064 XHBVFTNTPPSMMJ-HJUNTIBCSA-N 429.481 0.310 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740623198 PTEFALFHJLEKFM-SJORKVTESA-N 432.550 0.118 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1747731277 RXJVEKGCJXEXPM-KRWDZBQOSA-N 446.533 0.798 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748803248 WUFYUPLWPPHUNA-JKSUJKDBSA-N 437.591 0.894 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1749663834 AFISXQSTBYEJET-UHFFFAOYSA-N 428.493 0.727 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1760527452 XLXOIUVWEMKLPK-UHFFFAOYSA-N 438.536 0.726 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1768289956 DAWUALMZWWISMA-INIZCTEOSA-N 436.542 0.198 30 10 ICEE N#CCCCOc1cccnc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 466600947 YUVNTCNMTKHNPS-UHFFFAOYSA-N 438.510 0.491 30 10 ICEE Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c1 468267784 IXHKAOVCMYDGKY-OAQYLSRUSA-N 444.513 0.313 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 516828313 BPPNOGQGRYQWAJ-UHFFFAOYSA-N 440.569 0.832 30 10 ICEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(Br)cnn2C)c1=O 782783419 KZUADUDZZGMFLB-UHFFFAOYSA-N 431.315 0.911 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 789890526 YPOIRWOUCIIAGL-QHCPKHFHSA-N 430.468 0.995 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc2c(s1)CS(=O)(=O)CC2 1142107908 DWPYGDBBSBFYTQ-UHFFFAOYSA-N 440.528 0.681 30 10 ICEE CNC(=O)CN1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1156189361 UGVATOVMQCPOOU-UHFFFAOYSA-N 449.577 0.566 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)CC1 1157008829 CZXRJLBNXXJOTE-UHFFFAOYSA-N 425.489 0.612 30 10 ICEE Cn1nccc1C1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1175616415 UGIBKWXSQDOONU-UHFFFAOYSA-N 429.502 0.422 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286347026 FWWSDASSNBEQSO-HNNXBMFYSA-N 428.497 0.494 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCCCC2 1286376575 LXKLXECHMNDVIR-OAHLLOKOSA-N 448.553 0.047 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1286546569 JWXHTJHOEMXCJJ-ILXRZTDVSA-N 449.599 0.350 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286880444 QDFZRDDFDYCATM-KDDVOAFDSA-N 443.508 0.715 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1302438470 HHAJPSBTMPJQDI-NVXWUHKLSA-N 449.558 0.875 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cs1 1304675983 PXSIJKSHRYNOLP-CQSZACIVSA-N 427.494 0.516 30 10 ICEE Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304848674 VVTZKCWMKSGIMP-NHKNDPDJSA-N 429.525 0.662 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1314962198 CDRDKUNXIDTBSF-YJBOKZPZSA-N 428.493 0.962 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)n1 1359028358 PIRFTLGOVOLEFD-QZTJIDSGSA-N 443.508 0.127 30 10 ICEE N#Cc1cn(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(=O)nc1O 1440619586 GEQMYDRIDQKKII-UHFFFAOYSA-N 430.852 0.257 30 10 ICEE C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1448497254 RBHZFGYZKCVSGV-QVKFZJNVSA-N 433.461 0.631 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1507617120 QUWGODULYVPYHW-QGZVFWFLSA-N 448.549 0.913 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508089587 YOFRGVBIROSJDS-KGLIPLIRSA-N 433.513 0.635 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@@H]12 1529204571 VFWMVBQWVKJDGI-CFVMTHIKSA-N 429.292 0.970 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861088 BBKXAAUILHWQKA-QFIPXVFZSA-N 446.552 0.776 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540874258 ZTJSGUVDNQJZPM-OLZOCXBDSA-N 430.431 0.859 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1638024861 HASZVYNXNLPCOS-AWEZNQCLSA-N 435.554 0.819 30 10 ICEE C#CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cn1 1640013025 VVHPIGMCYANZLO-IXDOHACOSA-N 436.534 0.803 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 1644282325 ZRMRPFZLWMUXME-UHFFFAOYSA-N 448.404 0.430 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)C2)c(=O)nc1O 1648028677 KBUFHEQNIIWAEH-UHFFFAOYSA-N 449.876 0.711 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)CC1 1662588761 VAAWXMJRVQIUEU-MRXNPFEDSA-N 432.546 0.602 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2Br)CC1 1671154454 LSGXLQJBPXBHBX-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1690869974 XXNBLQIMYHBGOC-GOSISDBHSA-N 444.565 0.527 30 10 ICEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1696568155 XUCDQCNCLZJKMA-GJZGRUSLSA-N 444.583 0.483 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1705569879 KVJZBCDSAMQXCF-GOSISDBHSA-N 439.545 0.867 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705900175 SGIBOHBXDURLJD-GOSISDBHSA-N 426.569 0.802 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705901567 PHWKXBKPXIRKGE-KKSFZXQISA-N 428.468 0.768 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705903198 RCGACJNDYYGCEB-IAGOWNOFSA-N 433.557 0.121 30 10 ICEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1710297615 LNDPOZSCSPXBMK-LJQANCHMSA-N 427.557 0.825 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1711417775 CLMKCHUQNYRKRI-UHFFFAOYSA-N 433.538 0.134 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1712543292 LWDUMWNJSBLYCG-AYOQOUSVSA-N 441.554 0.682 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1712696415 AMWWUFFUQZROTC-GJZGRUSLSA-N 445.567 0.124 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1722364586 IEWNEZIFOCEUQF-MRXNPFEDSA-N 433.559 0.859 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1722690010 CVMXDBKHKZDWFR-NVXWUHKLSA-N 448.549 0.768 30 10 ICEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1731128549 GTQWXCUQZJRTLN-ZFWWWQNUSA-N 427.600 0.818 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1740550152 HUCOFISJCKTFNF-GOEBONIOSA-N 426.506 0.662 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)CC1 1740690147 HLWAELMADBLNGP-HNNXBMFYSA-N 435.554 0.491 30 10 ICEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1740899574 DKKGATZLAKDEEF-CQSZACIVSA-N 444.558 0.758 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740983012 ZONRVOJPTMAUIB-IXDOHACOSA-N 425.555 0.845 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748820138 ZPYKCIULZKZMSE-ADKRDUOOSA-N 447.586 0.802 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1748968817 MPKMZUSVVZVEGQ-UHFFFAOYSA-N 431.585 0.513 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1 1749136210 KVEYESABMNYNGI-DYESRHJHSA-N 446.552 0.677 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2cc(CO)nn2)CC1 1749329101 GAEOGZXYPDTOMU-AWEZNQCLSA-N 438.558 0.465 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760526595 CXJMZWQCYIWYPZ-SFHVURJKSA-N 445.568 0.251 30 10 ICEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1761370553 DFOVLPUSOMJFGL-HNNXBMFYSA-N 441.492 0.288 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CC1 1770325144 FLHQHKPGMGTUOV-UHFFFAOYSA-N 428.518 0.968 30 10 ICEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861004642 JMVFRRUPFJUMPR-AWEZNQCLSA-N 429.926 0.729 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCOCCO 1870671871 KOHJITKNFFPGHP-UHFFFAOYSA-N 438.521 0.990 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCOC)nc1C 1872706932 VTKUXHLFIZYIQK-UHFFFAOYSA-N 439.450 0.961 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628666 LBDLPNCCCAMLAO-UHFFFAOYSA-N 436.318 0.811 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255651972 NRXIBVBTEYMFEX-KBPBESRZSA-N 434.302 0.798 30 10 ICEE O=C(N[C@@H](CS(=O)(=O)N1CC[C@@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270537164 ZSKNXKZPUSWYMG-GJZGRUSLSA-N 440.499 0.970 30 10 ICEE Cc1nc(S(=O)(=O)N[C@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282842021 ZYBCUKCVUJVYBK-ZDUSSCGKSA-N 427.332 0.602 30 10 ICEE C=CC[C@H](O)[C@@H]1CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2335906288 YFSYPWISRIJXKD-IKGGRYGDSA-N 426.491 0.796 30 10 ICEE N#Cc1ccc(N2CCC[C@H](N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2=O)cc1 485720352 YIYXOZPJVLPVNP-IBGZPJMESA-N 433.534 0.248 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)OC)CC1 508723892 MFHXBIFBHKGIJO-UHFFFAOYSA-N 448.549 0.676 30 10 ICEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 514520670 VPAJSGHFTZIWBV-UHFFFAOYSA-N 437.504 0.875 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CCN1C1CC1 732706727 MYTGKNQBTCMCGA-INIZCTEOSA-N 445.907 0.950 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 750961464 JQASRVJKNYGOFT-PGRDOPGGSA-N 427.505 0.798 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCS(=O)(=O)C1 810647235 FAMOPORRCMSQOB-QGZVFWFLSA-N 426.560 0.847 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCN3CCOCC3)c2=O)cn1 838533653 LFDKSFFKLCWRCP-UHFFFAOYSA-N 449.536 0.361 30 10 ICEE 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@@H]1CCCO1 1138447250 OXXOAWDOAFLMGE-UHDSXZAQSA-N 426.535 0.954 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)ccc2c1=O 1184394053 SFOPTBPUIOXJHN-CQSZACIVSA-N 428.514 0.974 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 1210847133 ZZFGSQHYZBVPTL-UHFFFAOYSA-N 425.599 0.970 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1286349577 KFJZCWLCFQJXGP-CVEARBPZSA-N 448.553 0.494 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1286488145 LNEOJBKVUWYFLM-UHFFFAOYSA-N 449.559 0.901 30 10 ICEE CN(C)S(=O)(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1300414556 PWHGUIYRWKRUJJ-UHFFFAOYSA-N 428.555 0.588 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1300501095 GXBQFJFTVAAMNO-ZBFHGGJFSA-N 448.574 0.539 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1301897905 ADNIXUVOSGGJDT-RTBURBONSA-N 426.477 0.573 30 10 ICEE CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1313770634 GOUQFHJBKPCWOZ-QFPXGYFVSA-N 445.524 0.948 30 10 ICEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359240312 LEKIUEFJDHDTQJ-IRXDYDNUSA-N 438.598 0.745 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C1 1359313815 RQAQAXFGLAUXMX-JKSUJKDBSA-N 444.627 0.718 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc1 1461395450 CVDQKCLYULQVAU-UHFFFAOYSA-N 427.426 0.585 30 10 ICEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494143574 ZPLOSJQGLNXLTE-ZFDMEJTGSA-N 429.481 0.266 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1512457260 SIQZXFXNEOWPPJ-PLGXQAJASA-N 443.508 0.365 30 10 ICEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539900082 HFFXTKJTGZLTLK-ABSDTBQOSA-N 440.566 0.954 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 1539962681 ZSSRPEJWGGJQNA-INIZCTEOSA-N 425.463 0.889 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)CC(=O)N[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1540620620 XUQQHNJLRYVJER-HNNXBMFYSA-N 448.549 0.841 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541160929 UISUGDBSTDONHM-JFVSRZABSA-N 428.497 0.316 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1567570024 JZJJSIXPEWWPEY-CQSZACIVSA-N 425.511 0.549 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1587807678 HTDFQGSUDHXEIT-ZDUSSCGKSA-N 429.506 0.837 30 10 ICEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589117310 XKUIYLRFZIIGFM-UHFFFAOYSA-N 436.582 0.162 30 10 ICEE CN(C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1617789315 TWNGGAUMGLPYAQ-MRXNPFEDSA-N 447.521 0.602 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1689997302 ZQYMZZHOVKTHPS-CQSZACIVSA-N 445.492 0.657 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1690025579 WOWPZLPGHKWHSA-UHFFFAOYSA-N 440.529 0.591 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690124269 IFJYNYRDBAPXRY-SFTDATJTSA-N 429.613 0.953 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1690140015 ISLHGKIMUKKIPP-UHFFFAOYSA-N 444.503 0.859 30 10 ICEE CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1696412518 UZMVZXYGIKHFDE-INIZCTEOSA-N 426.543 0.778 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705906361 BIKNADGDEUKENP-OAHLLOKOSA-N 430.440 0.939 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1711085242 ABFVRAOHBKEBHE-KRWDZBQOSA-N 443.533 0.773 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1711360240 DZRXZWJLNRHWJU-INIZCTEOSA-N 444.517 0.345 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722366652 SBNMGAMOBVATKM-BXWFABGCSA-N 426.539 0.592 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1722691175 OTFIKPFQKPVYRL-NSHDSACASA-N 447.359 0.679 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC(=O)N1C 1726722572 JKMJAOMXOAYFEZ-IVZQSRNASA-N 437.504 0.874 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1740600506 LVGSUAIZLNWGJQ-CYBMUJFWSA-N 425.536 0.410 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740813257 AIUIRQIBTHWORX-INIZCTEOSA-N 435.960 0.896 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740985761 LBEZJXIABYHFEY-HOTGVXAUSA-N 441.554 0.355 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748817721 OZIIMCOQTRXUDQ-XUWVNRHRSA-N 426.564 0.463 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1748824704 IGACDKJVVPNTQQ-UHFFFAOYSA-N 434.504 0.162 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cnn(C)n2)CC1 1748977781 CTZHNMLJCHBVIP-OAQYLSRUSA-N 428.541 0.447 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1748984443 RNYZNMLLZQCALH-KRWDZBQOSA-N 425.468 0.828 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1749128815 ZYMQMPGJYSXXAP-RDJZCZTQSA-N 433.538 0.798 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1 1749354768 YQXIBJBBZIHOKB-OAHLLOKOSA-N 442.586 0.786 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1760225779 YITPUJMLDJQXDB-HNNXBMFYSA-N 428.522 0.977 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760356032 DIEIHMLYBRANNH-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760440974 VBFVMDOVURQIFL-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1770082006 NZPTVUGKLAHBAS-MRXNPFEDSA-N 429.481 0.614 30 10 ICEE COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770119518 KKQHVHZZIUORSQ-GDBMZVCRSA-N 435.506 0.935 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2022955712 WFPXRXGPSLYIIG-ZNMIVQPWSA-N 426.319 0.878 30 10 ICEE Cn1nc(C(=O)NCCCN2CCOCC2)c2c1CCN(C(=O)C#Cc1ccccc1)C2 20138630 ARWSCZLJFHUURZ-UHFFFAOYSA-N 435.528 0.809 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 22810549 LMKZXDFPMSRNKI-UHFFFAOYSA-N 427.549 0.784 30 10 ICEE COc1ccc(S(=O)(=O)NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)cc1 263631194 KRGCOQCUSHXSND-UHFFFAOYSA-N 443.485 0.852 30 10 ICEE COCCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 409674853 HUIIUVUYEBHRFO-UHFFFAOYSA-N 432.506 0.617 30 10 ICEE CN(C)CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 512638192 GKEFBLZUXCLYQQ-UHFFFAOYSA-N 433.578 0.665 30 10 ICEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)CC2)c1C#N 564014123 NQRKLUYDNFPBEZ-CQSZACIVSA-N 441.583 0.426 30 10 ICEE CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)[C@@H]2CCCC[C@H]21 577417942 DXXISQVGMAIGMS-HZPDHXFCSA-N 432.572 0.096 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cc1 589159369 PIEUAMVWRKKDGJ-UHFFFAOYSA-N 449.488 0.798 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 752621294 CNIPPEDLRNTURP-QGZVFWFLSA-N 434.562 0.324 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 767862750 DHJWEJQJNRSJNJ-UHFFFAOYSA-N 431.290 0.798 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O 1133009167 VSOGGQILTVHVEB-CYBMUJFWSA-N 449.261 0.795 30 10 ICEE Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1136627232 AYJMOSKNHRRYAH-UHFFFAOYSA-N 431.342 0.472 30 10 ICEE C#CC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1161365171 PJCDMSXWKRPIJB-ACJLOTCBSA-N 436.262 0.897 30 10 ICEE O=C1C=COC2(CCN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)C1 1176611161 UCCVIARRBIBMMR-UHFFFAOYSA-N 447.557 0.998 30 10 ICEE C[C@H](CC(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1179551005 ADWIJJLVGPVCAP-CHWSQXEVSA-N 427.548 0.976 30 10 ICEE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1180990487 SYGCAGVHDLRMOD-MRXNPFEDSA-N 427.486 0.756 30 10 ICEE C#C[C@@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1183669355 FOCGTUGMQOLXIZ-OAHLLOKOSA-N 427.442 0.944 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cnnn1 1286280362 YJHIUVAXWIGQKR-OAHLLOKOSA-N 443.537 0.730 30 10 ICEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnn(C)n1 1286450345 PRUHNUPPSRPQBK-UHFFFAOYSA-N 434.552 0.674 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286495457 WLUZTVTZVPNXOV-IBGZPJMESA-N 437.591 0.896 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CC2)CC1 1286646323 PHQVIOYNWSIGPS-QFBILLFUSA-N 425.555 0.928 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300971809 GIQXHYZVZCNIPT-FRQCXROJSA-N 443.570 0.865 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C1 1301535093 HRNRFTUDFOPBLL-OAHLLOKOSA-N 426.543 0.235 30 10 ICEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1309733624 QBZJGXMQBIQJNY-INIZCTEOSA-N 430.548 0.723 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1358948695 IQPNWORPNCSJMK-DLBZAZTESA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358955192 GOOKOFASMDKUPS-INIZCTEOSA-N 448.549 0.891 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960640 IUHHWIZAXHWOID-CBGDNZLLSA-N 445.545 0.815 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1358979040 BAEQFIOQSRVJHM-INIZCTEOSA-N 448.574 0.805 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1358979158 DUTZUONELOMHNW-KRWDZBQOSA-N 448.936 0.781 30 10 ICEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359086584 BSSYAFVNGAIHJX-AWEZNQCLSA-N 438.330 1.000 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1359103934 VRJMDLSDKUGNSV-LAUBAEHRSA-N 446.552 0.677 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1359331493 AXZCRMSYUNVYGH-OAHLLOKOSA-N 449.537 0.905 30 10 ICEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1360288767 FYVXXFZCAMHCBY-UHFFFAOYSA-N 425.493 0.812 30 10 ICEE C#CC1(O)CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CC1 1468549856 UWVXLOSFBZEBQL-UHFFFAOYSA-N 442.560 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508093843 WOFXIKXCUUGKLO-HZPDHXFCSA-N 437.566 0.614 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539201618 AXJRUPLXCCIMLB-OAHLLOKOSA-N 444.517 0.589 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539430745 NAXRWKKAKKZYCV-IAGOWNOFSA-N 425.555 0.192 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)CC1 1539454581 TUZHZTHSDIKCSQ-HSZRJFAPSA-N 425.533 0.979 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539714383 FZVHYJJUSPEPEW-UHFFFAOYSA-N 429.525 0.248 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540907464 XTGTYDREEQTKIR-INIZCTEOSA-N 447.565 0.729 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1540908044 AYFPGSPZALHZGW-HNAYVOBHSA-N 441.554 0.198 30 10 ICEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555561804 GMROEBOPBXWYPI-CQSZACIVSA-N 434.526 0.128 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)C1=O 1585726155 XQDMHESWVBOPMW-CQSZACIVSA-N 428.445 0.849 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588053816 IGEFZHAMCBGYIY-OALUTQOASA-N 449.577 0.667 30 10 ICEE C[C@H](CC(=O)NC[C@H](O)C(=O)OCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1588481778 MVQHAUJFLNVTRJ-PBHICJAKSA-N 445.497 0.724 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1595759422 FGRHVPJULXNABD-HZSPNIEDSA-N 435.572 0.103 30 10 ICEE COc1cc(I)ccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1633550504 RTFCZQBULCWCEL-UHFFFAOYSA-N 440.197 0.864 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1638717878 OACOLRQKKTUWGF-ZDUSSCGKSA-N 449.510 0.466 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 1640588043 FAYHRDXXYXMCLA-UHFFFAOYSA-N 425.463 0.994 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)C2=O)cc1 1642368281 HXKNSPWRURYEHP-IXDOHACOSA-N 446.485 0.178 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1642965687 JLTFRGFPVITPIC-CWTRNNRKSA-N 434.474 0.424 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 1665178574 CCKVSJIKKWPVBI-UHFFFAOYSA-N 442.346 0.776 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCOC 1690345815 DILUDEYIDBJYIM-AWEZNQCLSA-N 432.934 0.730 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1690673003 KNZMIYLLCDTGBF-UHFFFAOYSA-N 443.527 0.520 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690733492 GCYUHFNFJORMHV-MJBXVCDLSA-N 428.584 0.522 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705567453 WKYQBGFDLTVVAA-KZNAEPCWSA-N 438.550 0.604 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705567676 YDYCFZJRTXSFFR-ZWKOTPCHSA-N 432.550 0.775 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC)CC1 1705643957 WLFQUHYHIRMMEZ-CALCHBBNSA-N 445.568 0.940 30 10 ICEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705818761 UPEXQUAPHBAVAO-KRWDZBQOSA-N 431.541 0.176 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N1CCOCC1 1722295568 XIZYCPATPGRSMX-OAHLLOKOSA-N 445.549 0.555 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1722389927 NWNHEODVQQVUTD-OAHLLOKOSA-N 432.554 0.746 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1722726450 FNNCGQXEPNOLDN-HNNXBMFYSA-N 439.538 0.216 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOCCS(C)(=O)=O)CC1 1740698364 SDSSDIMLRWAFCE-UHFFFAOYSA-N 432.550 0.080 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCSC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1741682902 CEQFUOFBTDYBDL-WKSPDDFDSA-N 433.538 0.884 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1748950077 KKZCVJCLVYKHPD-PXNSSMCTSA-N 440.566 0.839 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2conc2COC)CC1 1748972650 MUQZBCCXQCQLNZ-UHFFFAOYSA-N 436.476 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749730723 OCKIPUAQRBLDJE-HNNXBMFYSA-N 439.563 0.873 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1750060391 GXANXCLXKHFTFQ-AUSJPIAWSA-N 433.513 0.903 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191350 FYRKNFUNMNDBDT-DYESRHJHSA-N 449.577 0.842 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760193641 KWQKHUVYCXOLAD-INIZCTEOSA-N 434.566 0.551 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCOCC2)CC1 1760251822 IOEUSBGCLHCNDM-UHFFFAOYSA-N 429.569 0.380 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#CCN3CCOCC3)C2)cc1 1850019688 FWPKUYVEZKLWBZ-GOSISDBHSA-N 435.546 0.548 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481493188 OWXJTWJLWZQFCH-ZDUSSCGKSA-N 448.526 0.722 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCN(CC)CC2)CC1 524497246 OGJNQTKCANOYAL-UHFFFAOYSA-N 442.608 0.954 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603797976 HLZOWVSSMASKEU-AWEZNQCLSA-N 433.555 0.806 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cccc(C(N)=O)c2)CC1 608838484 RIYNLBGZPCEINR-UHFFFAOYSA-N 441.513 0.916 30 10 ICEE C#CCN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)[C@H]1CCS(=O)(=O)C1 749281801 WZYJCHPMBCTQIS-LPHOPBHVSA-N 431.514 0.491 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 749870725 UNEVMVHAFKCVPK-MRXNPFEDSA-N 441.557 0.678 30 10 ICEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 768720838 IXBQRZVWUJHNIQ-MRXNPFEDSA-N 442.501 0.413 30 10 ICEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NS(=O)(=O)CC2(C#N)CC2)c1 793195099 FQQSQQZOULZANN-UHFFFAOYSA-N 440.547 0.900 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 1210111509 KPTNINNEVFZYJV-LSDHHAIUSA-N 425.473 0.573 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286383784 NYQIOOIAJILVRZ-MRXNPFEDSA-N 441.517 0.757 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1296663710 JRAWLSCZEHSPIM-WIYYLYMNSA-N 434.541 0.771 30 10 ICEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300754451 QPMFDFCVEOHUJV-UHFFFAOYSA-N 439.545 0.634 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1303835486 ASZWCTIXZBWVIC-WBMJQRKESA-N 448.546 0.155 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCO1 1508373823 DOZSSQIQSHFZHB-LJQANCHMSA-N 435.492 0.840 30 10 ICEE CCS(=O)(=O)NCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1516849289 BNSWCXBYCQYMOD-SFHVURJKSA-N 448.549 0.740 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511869 YYDFPBXQBLBTHC-FTUNRGFVSA-N 427.523 0.846 30 10 ICEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)COC 1559992594 DHFGSKSCVGCLEZ-INIZCTEOSA-N 440.522 0.951 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588223990 MBDLDWAXGAOHJQ-HOTGVXAUSA-N 438.454 0.955 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588848820 NRQQMMQABFKHFR-UHFFFAOYSA-N 445.527 0.932 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1620450867 IFJITCIOZCQDHL-UHFFFAOYSA-N 433.530 0.182 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 1622498606 OVLSIJFXYZXREF-UHFFFAOYSA-N 436.899 0.331 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1625651975 ZEOOYVHMTKGHDQ-CQSZACIVSA-N 434.522 0.451 30 10 ICEE C[C@]1(C#N)CN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCO1 1655732454 BAUJTWUPEJMZBV-FQEVSTJZSA-N 436.534 0.885 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 1670181020 UBMVENHLWMBNFT-UHFFFAOYSA-N 432.510 0.538 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 1672025139 INTVXQHJVFEOSH-UHFFFAOYSA-N 448.467 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1677674859 CAFBGGAXUWFQQR-OAHLLOKOSA-N 431.559 0.284 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1 1680053568 MGOUZYQXBHKNIU-UHFFFAOYSA-N 439.504 0.446 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)CC1 1685756533 MHXMOZRVUUDPAL-PXNSSMCTSA-N 434.518 0.464 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689987752 BQVKOUFLAVGOPU-DNVCBOLYSA-N 432.506 0.167 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705565905 KRAOFIBEGZAVDS-DLBZAZTESA-N 432.550 0.889 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705647364 GBZJPBLJQJHKTD-FQEVSTJZSA-N 435.550 0.061 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H]1O 1711460435 GAFPZIDBQIIELW-HZPDHXFCSA-N 433.490 0.222 30 10 ICEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1712173494 MCMYZSIJMNGKBD-KGLIPLIRSA-N 427.440 0.905 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1722381271 MPFQTRNHGSHYCE-UTKZUKDTSA-N 428.562 0.510 30 10 ICEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCNS(C)(=O)=O 1722522042 PTNWANPITRNBPV-UHFFFAOYSA-N 441.583 0.800 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 1722640653 QGGBAMNEVLWQQK-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722697806 PWZVJOCQOROXPH-UHFFFAOYSA-N 448.553 0.288 30 10 ICEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722733898 QHOIAYKIYHKBAS-KRWDZBQOSA-N 437.529 0.883 30 10 ICEE Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1742500937 HEPYIOOEMXIXBN-GDBMZVCRSA-N 436.542 0.412 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748815510 QYVNMZSFRUKEBJ-QWHCGFSZSA-N 449.562 0.318 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748821582 RLWLTFSUEAYOGS-DENIHFKCSA-N 444.557 0.841 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749225616 HFRCEWOAPHAMJV-WBVHZDCISA-N 445.524 0.589 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCCS(C)(=O)=O)CC1 1760261241 MVRKCKKXXIKHSK-UHFFFAOYSA-N 436.582 0.371 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760328216 SCMIGAOPCASHSX-LPHOPBHVSA-N 446.552 0.723 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC(C)C)CC1 1760389928 WYECHNPAIARSPH-OAHLLOKOSA-N 431.584 0.664 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1766726923 ZOYZYXMQWCQVGR-ZDUSSCGKSA-N 425.902 0.662 30 10 ICEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(CCO)CC1 1869928067 OUTXMHCUCPTTIY-IBGZPJMESA-N 442.541 0.473 30 10 ICEE C=CCNC(=O)c1nc(C(=O)NCCN=c2ccc(=Nc3cc(C)ccn3)[nH][nH]2)cs1 1891165959 OUEYJBPNRGHEHB-UHFFFAOYSA-N 438.517 0.982 30 10 ICEE Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 460776342 BWDSGYWVRYTVDP-KRWDZBQOSA-N 430.534 1.531 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474355570 MEDINURQTBSYPM-INIZCTEOSA-N 428.514 0.058 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 504037304 VBKBIBQERBPCJO-UHFFFAOYSA-N 433.511 0.970 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 508903789 QJYZBYIIPPOFOR-CVEARBPZSA-N 434.522 0.850 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 604166169 WKEOUOLVCXWXNW-UHFFFAOYSA-N 429.521 0.288 30 10 ICEE O=C(Cn1c(O)nc2ccccc21)NCC#CCNC(=O)Cn1c(O)nc2ccccc21 680339127 BSYILVNDPQXIFO-UHFFFAOYSA-N 432.440 0.733 30 10 ICEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCC 732664652 SPJMPQFCYZAFME-MRXNPFEDSA-N 436.534 0.961 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@H]1CCCO1 735068850 GQMWRFJNKMPTIP-MRXNPFEDSA-N 429.546 0.725 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)s1 1149025071 HLXUSYFYBQJNER-AWEZNQCLSA-N 449.620 0.332 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)CC1 1175514905 KKBGDQLBOAWCMR-UHFFFAOYSA-N 431.518 0.398 30 10 ICEE COC(=O)c1cnc([C@@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)s1 1179537720 RGNYGEZGKDNNOD-LLVKDONJSA-N 434.499 0.984 30 10 ICEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1253780178 WXOHHUTYHYIDAZ-OAGGEKHMSA-N 429.539 0.843 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1286467657 RRJQSXBJCADERU-CQSZACIVSA-N 440.551 0.202 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1286710975 GJVBPDPHDYJDDK-HNNXBMFYSA-N 426.543 0.234 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286746101 OMXUQPQCNXMINK-UWJYYQICSA-N 445.545 0.971 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286786737 YOFRGVBIROSJDS-KBPBESRZSA-N 433.513 0.635 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286787797 JPBMJRBUXCPOQM-QXAKKESOSA-N 445.568 0.073 30 10 ICEE CCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1294196917 SGMJNOCPYZZVIO-ZFDMEJTGSA-N 436.538 0.943 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300493408 SZJXSLPWGZBGQC-QWHCGFSZSA-N 435.535 0.064 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300988538 FPORIBIQEMTHPB-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301500087 JBGXLGXNDYVWBY-LJQANCHMSA-N 438.532 0.976 30 10 ICEE CCOC(=O)[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC12COC2 1303335701 ZDZPMJCWUHVXHS-SJORKVTESA-N 440.456 0.801 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1303835484 ASZWCTIXZBWVIC-LRDDRELGSA-N 448.546 0.155 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1311897507 FALHGMGTLMHKMR-GFCCVEGCSA-N 435.330 0.308 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1358967828 TWDJNZJHTZKJFV-ZWKOTPCHSA-N 448.549 0.648 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1358968318 HHCGSBKQSKIDEP-MRXNPFEDSA-N 441.517 0.422 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1360476040 HCLVYJWIHBYNHD-OAHLLOKOSA-N 447.569 0.740 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 1455114706 IAPAYFRADRQTMY-IBGZPJMESA-N 428.555 0.778 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCOCCCO)cc1 1505319599 CDCGQHJNNMMBKF-LJQANCHMSA-N 442.520 0.649 30 10 ICEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1516993816 MJSSMSOTMURNHG-FQEVSTJZSA-N 428.518 0.920 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)c1 1521074963 FBIISSBLDZTEAL-KRWDZBQOSA-N 443.533 0.554 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCn2ccnc2C)CC1 1539431803 WLSIRSGZMQRXOX-QGZVFWFLSA-N 448.597 0.629 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540867584 AERIDIZXFQESOW-HNNXBMFYSA-N 448.549 0.774 30 10 ICEE CCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546519908 JBFJFZKIFDUNCE-SGRLSNSRSA-N 443.552 0.916 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1555581636 GUOSCBZZNHXOOA-UHFFFAOYSA-N 449.519 0.738 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1I 1561155228 YARUJYHAHRJMOU-SECBINFHSA-N 445.304 0.389 30 10 ICEE C#CCNC(=O)C1CCN(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 1568075884 BLYNPLUYIYHXHY-MIGQKNRLSA-N 439.434 0.960 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1587638657 GNFPLHOMWAPFPM-QZTJIDSGSA-N 438.598 0.801 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1595715633 ZRFZELSGQDBVEC-FUHWJXTLSA-N 429.525 0.955 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1595806006 ZCFMYLYYIUGAEX-LSDHHAIUSA-N 447.583 0.201 30 10 ICEE COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1632528009 HZKZLCPTAVDONQ-HLLBOEOZSA-N 446.508 0.758 30 10 ICEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 1636546854 ZQYPKEGZWRXYGI-ZIAGYGMSSA-N 431.898 0.370 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(I)c2C)CC1 1644285473 PEMZXGYQRIQYEE-UHFFFAOYSA-N 447.298 0.825 30 10 ICEE CC(C)Cc1nnc(NC(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1645990921 GQSKYYDQDKELJX-YVEFUNNKSA-N 425.536 0.852 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689980600 VBYRWAUHEYDGNO-SOUVJXGZSA-N 443.595 0.561 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690003785 YFZFUCFQVLHJRU-NQIIRXRSSA-N 449.577 0.673 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690175134 QJZUBNWOUJGQAC-LSDHHAIUSA-N 438.579 0.103 30 10 ICEE C=CCSCCn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690746974 PKKAAHZZCZRLSH-UHFFFAOYSA-N 448.597 0.862 30 10 ICEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705585052 IYQFFWCVNKQTJU-OAQYLSRUSA-N 428.514 0.522 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1722494632 QXLVFUCRVITAEN-SJLPKXTDSA-N 434.541 0.693 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1740550026 HLCWTQBFZZJUIR-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740950739 FVOLKSBKRIUHJA-UHFFFAOYSA-N 442.524 0.435 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1748891815 GODAKGSZYTWUQB-RBUKOAKNSA-N 433.578 0.611 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1748922581 DFWNFYPNYLGKRO-UHFFFAOYSA-N 443.533 0.684 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnn(C)n2)CC1 1760256838 VHXLMNINSOOUPT-UHFFFAOYSA-N 427.900 0.934 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1768452500 HDPKLHYJGISWJD-UHFFFAOYSA-N 445.549 0.765 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1772887250 DYLPGVGBMXUTTR-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE NC(=NOCCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1ccncc1 1853590323 DPLUUPHQYHQLKK-IBGZPJMESA-N 439.472 0.619 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CC(COc4cccnc4C#N)C3)ccc2n(C)c1=O 1891724956 PQHLTFIPSIHDSQ-UHFFFAOYSA-N 441.469 0.203 30 10 ICEE O=C1c2ccccc2C(=O)N1CCOS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1923218025 UTDMZEYNLCQPHK-UHFFFAOYSA-N 428.422 0.925 30 10 ICEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N=c1nc(C#CCCO)[nH]s1 2166384534 KNNZCMRXTBCOGE-UHFFFAOYSA-N 448.526 0.902 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 2247951022 GOMPSFAITHOHEI-UHFFFAOYSA-N 434.327 0.396 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255630441 KKKNRYWRAUZSJL-ZIAGYGMSSA-N 436.318 0.809 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 254557047 CUAHDSCRCWWZFP-SMDDNHRTSA-N 426.472 0.924 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 480437349 KLBXDMWABSGMLG-WBVHZDCISA-N 434.518 0.322 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@H]1CCCO1 520867142 XPAFCNKPOULHBI-GOSISDBHSA-N 441.553 0.971 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)CCC)cc2)CC1 558070802 GVNHPMVGQJKBCK-UHFFFAOYSA-N 429.564 0.479 30 10 ICEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672277 GOFPNYJMWUTNOE-UHFFFAOYSA-N 429.461 0.429 30 10 ICEE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCN/C(O)=C1\N=CC=CC1=O 731887223 JDRFDRAJUJHVJH-FMQUCBEESA-N 426.454 0.991 30 10 ICEE C[C@H](CC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 766116630 XATYRZMABZCEFM-CZUORRHYSA-N 435.502 0.684 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)CC1 783604560 MDYDTGHYVPJHEQ-UHFFFAOYSA-N 430.509 0.210 30 10 ICEE C#CCNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919207678 PXBKKSQEAPQQAX-LLVKDONJSA-N 445.291 0.484 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)s1 1137114373 LBGKHISNSPTNNT-CQSZACIVSA-N 437.547 0.719 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1174677866 KPWFLFXZBQQBNU-IAGOWNOFSA-N 437.518 0.698 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 1175514836 JKFBMWSQKGFEOK-UHFFFAOYSA-N 438.897 0.561 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1286712439 ZCFUPDJNOPMIAZ-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286785008 BNDOPYGVHNTPKJ-UHFFFAOYSA-N 439.520 0.718 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1288524877 IWVYBISHGWFRBU-QWHCGFSZSA-N 436.485 0.979 30 10 ICEE C#CC[C@@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C(=O)OC 1299178113 CVTDHQGJOXLXEH-LLVKDONJSA-N 425.186 0.562 30 10 ICEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300422284 JPZXTBRHOXVNPP-UHFFFAOYSA-N 449.519 0.914 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1300509699 SCTFMNOTHRKJNB-HNNXBMFYSA-N 445.501 0.769 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1300732307 AJAHXVPYLPVQFD-VKJFTORMSA-N 443.595 0.639 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301222744 FAJSIDBCOXGEHK-LSDHHAIUSA-N 431.584 0.664 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)CC1 1311471472 VLYDQVVZEWPEGV-SFHVURJKSA-N 446.533 0.313 30 10 ICEE CN1CCN(C(=O)CC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1318857748 VQGJCEQEMVPQGR-VXPUYCOJSA-N 432.525 0.099 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359100206 YNBXIERIHANBGI-JZXOWHBKSA-N 430.553 0.995 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359461632 DCWCKFVFFOGXDN-KRWDZBQOSA-N 438.492 0.469 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1442993772 NXTCJFAOAUIEJP-OAGGEKHMSA-N 444.554 0.188 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2OC(F)(F)F)CC1 1478207280 OIBIAKCIVTVTOR-UHFFFAOYSA-N 434.440 0.923 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1508374663 PBMNHQCAFVTOIE-UGKGYDQZSA-N 440.504 0.964 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1516025345 OXMNTXIGFZSDHK-KRWDZBQOSA-N 446.533 0.772 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1539436465 TUVVPLCPIRJYPT-QHCPKHFHSA-N 440.548 0.784 30 10 ICEE CN(CC1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554245347 PABHPOMRPHZPNZ-UDJKBAMHSA-N 443.508 0.618 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588049121 AMYGXUZOCKRNLE-LSDHHAIUSA-N 440.476 0.730 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCNC(=O)OCc2ccccc2)CC1 1650846047 HYFNMESYZRTMOF-UHFFFAOYSA-N 436.534 0.695 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)cc1 1651571898 WFERPMNSPRFVQN-UHFFFAOYSA-N 449.554 0.920 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1689876922 MHBNTNYPBUXLCS-ZWKOTPCHSA-N 438.598 0.850 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689978548 YBGWSLHFIULRLR-IKGGRYGDSA-N 437.566 0.594 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690129504 ZGIRCXKTDPHBEF-IBGZPJMESA-N 428.562 0.986 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2snnc2C)CC1 1690143814 CMFTYYYTEDWYSQ-CQSZACIVSA-N 428.522 0.403 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCSC2)CC1 1690375939 YAPWERUEMUHYST-CRAIPNDOSA-N 443.595 0.635 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690677881 CYVNGIRLSQHBHD-IERDGZPVSA-N 434.541 0.678 30 10 ICEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1698365182 BCGBLDHZYJYGDS-ZIAGYGMSSA-N 442.567 0.235 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705540407 YURJJGXAVOFPPL-SJORKVTESA-N 434.566 0.788 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705747140 GQXHVTHRNXSXSK-RYUDHWBXSA-N 425.964 0.654 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(C)(=O)=O 1722407186 FYUHUVODPFSBJM-UHFFFAOYSA-N 429.510 0.320 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(=O)NC 1722588300 PMYIJQKCULRIAK-HNNXBMFYSA-N 442.586 0.786 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)C1 1740972346 HDKOLURKSLJKHT-GJZGRUSLSA-N 442.586 0.974 30 10 ICEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CC1=O 1749860754 ABLDCUQXPSIMGJ-QGZVFWFLSA-N 437.504 0.638 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1760554998 SYRJZQRRJOKKQN-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1760688459 IAJWMQIIMPOESW-KBPBESRZSA-N 445.549 0.818 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1761290514 ARWYEVTVPDDUSK-SUMWQHHRSA-N 446.430 0.726 30 10 ICEE C=C(Br)CS(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2006266776 PEHNEERQCGWOPJ-UHFFFAOYSA-N 426.333 0.894 30 10 ICEE CC1(C)OB(c2ccc(N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2232256133 YPEWEHGCTLYLKZ-WCQYABFASA-N 442.247 0.740 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267518067 CQFINMJRQPSNEH-UHFFFAOYSA-N 449.361 0.991 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 460655027 HSDBQFZGOBHQAA-GOSISDBHSA-N 448.549 0.577 30 10 ICEE CCOCCS(=O)(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 467262416 AXXZPWUSIDMLGX-OAHLLOKOSA-N 426.520 0.354 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 508496101 CFUCWSXDTDVIAF-CVEARBPZSA-N 440.570 0.540 30 10 ICEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508872245 IQJPVMKGDODEOJ-UHFFFAOYSA-N 433.538 0.534 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 562202354 VISJGEBEAFOYNT-SFHVURJKSA-N 430.461 0.893 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 603800518 YMHALCVOERABDZ-INIZCTEOSA-N 431.514 0.728 30 10 ICEE Cn1cc(/C=C\C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(=O)n(C)c1=O 749375294 ORSIPOLOOCEAFR-SBSDFTTDSA-N 425.470 0.509 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1Cc1ccon1 765143862 BZANCBBBNPRYTE-UHFFFAOYSA-N 440.529 0.972 30 10 ICEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)s1 769878681 PPASACFRTGZOQS-UHFFFAOYSA-N 436.584 0.845 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 772699718 FFHBWTZEUSDPEA-SJORKVTESA-N 440.543 0.406 30 10 ICEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cn1 807940231 GFVUODMKHGRQKF-HNNXBMFYSA-N 446.537 0.418 30 10 ICEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 813565377 ZOZDWRFTKURCNF-LRDDRELGSA-N 449.533 0.549 30 10 ICEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1170748860 PGEIMVCTPGLJSH-UHFFFAOYSA-N 440.522 0.725 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 1254103634 WQEHRQCNBFPJOC-UYAOXDASSA-N 433.578 0.549 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1286823844 QQQFHPKQPUORAI-ZIAGYGMSSA-N 430.600 0.865 30 10 ICEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)S(C)(=O)=O 1295809995 HWYUNNHPPIDYMR-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1301258135 LZWDJIDKXYYGCR-QGZVFWFLSA-N 449.581 0.833 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301514715 LZHAOCDNAYPVEM-MRXNPFEDSA-N 443.483 0.854 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1301842455 COVVTTRRHBGFBO-CQSZACIVSA-N 432.506 0.798 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312469769 QDPQOIPFLNYLQD-QLFBSQMISA-N 429.543 0.716 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462825133 UOSRQXZPWKGQDZ-GFCCVEGCSA-N 446.938 0.738 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 1471451548 WEDWORPMECKQJP-SFHVURJKSA-N 440.516 0.756 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1507958329 UIYLSXICZOKFJL-AWEZNQCLSA-N 442.542 0.560 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508078100 TWKBACKLDZMVFS-UHFFFAOYSA-N 443.508 0.322 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1540046974 CJRUTYKQPWEEAE-ZDUSSCGKSA-N 427.552 0.962 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1540869393 LCJYJDROQSJBFI-UHFFFAOYSA-N 427.509 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1540903779 HTBSBXVTXKIBFU-CYBMUJFWSA-N 441.535 0.332 30 10 ICEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547319649 ALAUUTNXBNVMBI-UHFFFAOYSA-N 425.541 0.949 30 10 ICEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(C)=O)CCOC1 1547916702 YUWPMZSNCDEZTM-RXVVDRJESA-N 431.541 0.633 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1548337303 UHBREFGHCDSPMO-ZDUSSCGKSA-N 437.526 0.931 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1587909353 JHQMMOFLVQLQHL-OWCLPIDISA-N 426.587 0.846 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1588084235 OMRAEKJMVITLAP-INIZCTEOSA-N 438.623 0.789 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1595551367 PKFMCABRGDLECF-OAHLLOKOSA-N 449.533 0.833 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595812407 SGWAJCZFOIYHJZ-GOSISDBHSA-N 432.550 0.970 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)CCO1 1620356533 AYRIDVRZYXYMCF-QGZVFWFLSA-N 429.525 0.922 30 10 ICEE COC1(OC)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1O 1638765363 VDBXOLOKLWNAMH-KRWDZBQOSA-N 439.534 0.868 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1689965653 ALTZSUHCSKAWFF-KRWDZBQOSA-N 437.566 0.887 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC2(C)C)CC1 1690136419 DXRUIHULRPWKOC-ZBFHGGJFSA-N 436.582 0.900 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690171250 XYWFQOBYMDCPPL-DLBZAZTESA-N 445.593 0.338 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(OC)CCOC2)CC1 1705647717 IUBXPQGFLGHFTK-PGRDOPGGSA-N 431.537 0.943 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 1705685497 BFJCEGMPCDWYSJ-NSHDSACASA-N 433.332 0.219 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722732937 SYLSTRVJESJQAX-DYVFJYSZSA-N 430.600 0.770 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1740618225 FGEPRSRYXLULOL-UZLBHIALSA-N 433.534 0.540 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740627940 UDRRKWGOZNYZFR-HOTGVXAUSA-N 435.550 0.454 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1740629984 DCWQNYXONDGZAU-INIZCTEOSA-N 428.518 0.990 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)CC1 1740690907 PXVJOLINBNVXII-MAUKXSAKSA-N 426.612 0.929 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNS(=O)(=O)CC)CC1 1740698005 MHOFUZJLZIIKLF-UHFFFAOYSA-N 431.566 0.349 30 10 ICEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1748407291 CEUXVDQTCCIFQS-FRRDWIJNSA-N 437.444 0.876 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1749038263 JISCDORRAVZEAD-INIZCTEOSA-N 440.591 0.932 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749269081 MOEYTOLDKDBMIA-IUOOZAAYSA-N 445.973 0.961 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760194042 BRMOQZMZCWASGT-CABCVRRESA-N 438.554 0.874 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1760337836 WPEHSRNNJBNJKL-MAUKXSAKSA-N 445.611 0.881 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760520973 GHLJLUNQWJPDGB-HXUWFJFHSA-N 430.534 0.966 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC(=O)N1C 1763178643 KEYZTFDKHMMUED-INIZCTEOSA-N 428.493 0.795 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1763272799 BPWQJKRETHDWKZ-CMPZQBNXSA-N 426.477 0.580 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)CCO1 1771535995 GBKAGHPLRVNMFQ-GOSISDBHSA-N 437.504 0.949 30 10 ICEE CN1CCN(C(=O)CN(C)C(=O)CCON=C(N)c2ccc(Br)cc2)CC1 1853443556 BEJCELIUCTWXJV-UHFFFAOYSA-N 440.342 0.709 30 10 ICEE Cn1c(CCC(=O)N[C@H](C#N)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 505911821 GVVMRMOKVSXIBS-QGZVFWFLSA-N 431.518 0.945 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 514492388 UXABTQULBQOIHB-UHFFFAOYSA-N 446.598 0.641 30 10 ICEE CCc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 546169399 SHMXWDNOQUOJOK-UHFFFAOYSA-N 433.472 0.424 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 610244854 AJYMQPLSMSZKIY-ZDUSSCGKSA-N 433.917 1.000 30 10 ICEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C1 1157884038 DDGXKNWEJBWLBI-HXPMCKFVSA-N 435.506 0.713 30 10 ICEE CCOc1ccc([C@H]2CCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1189976857 AWDXQMPICRKSKZ-LJQANCHMSA-N 426.473 0.945 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 1254487714 COIJXZYWUIWBIL-JKSUJKDBSA-N 441.550 0.541 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286384370 QHJHPCFVVOJZDX-UWVAXJGDSA-N 440.566 0.982 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286399153 ZTWVCFFMGXMUDU-RCCFBDPRSA-N 438.550 0.952 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)CC1 1286481908 YSIKRFUMEYCIRF-AVRDEDQJSA-N 443.573 0.843 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286485778 XYYDQUAPZWHLJL-AOMKIAJQSA-N 430.553 0.933 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301499126 YJBMJEDEAZXLRG-YESZJQIVSA-N 431.541 0.078 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1359301490 ZXRQHAVMNMXEEB-CVEARBPZSA-N 440.570 0.540 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn2ccccc12 1360712853 CRKQYPLXGCULIQ-ZFWWWQNUSA-N 430.494 0.313 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(F)cc2I)c(=O)nc1O 1470361668 VRQRKXGHKLWRTA-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC1 1507733926 ODLZFEAWSPLXQQ-UHFFFAOYSA-N 448.593 0.596 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1508070961 GXBWPMDZILFKHQ-UHFFFAOYSA-N 440.508 0.532 30 10 ICEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1516961990 GKOVXOGUTASGIF-UHFFFAOYSA-N 445.549 0.767 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539066467 WAWZPZCAQHWMIO-WBVHZDCISA-N 427.509 0.799 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1539216423 RNMSWNXLCLICOG-MRXNPFEDSA-N 426.506 0.567 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1540866202 GHNINCPUURLNAB-QGZVFWFLSA-N 442.520 0.785 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1 1558073325 QIYNYYVQKBORMZ-UHFFFAOYSA-N 428.461 0.027 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588053968 JHKQPLJBKLCDPL-SJORKVTESA-N 437.566 0.919 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1588261906 LKXPBVGDMOYGIS-UHFFFAOYSA-N 429.296 0.312 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595884569 NNZVQQPNCPLQNU-CABCVRRESA-N 440.595 0.655 30 10 ICEE CN1CCn2ncc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2S1(=O)=O 1611526944 AIFCSCISLMLQSL-MRXNPFEDSA-N 428.474 0.314 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1644597335 XFGXPEFMZVQQOD-UHFFFAOYSA-N 444.531 0.172 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(C)c1Br 1660909212 CHQDOOWZKMICRF-SNVBAGLBSA-N 426.300 0.744 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1690094165 UWNXMPHXIYTMDM-KGLIPLIRSA-N 433.625 0.823 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690507475 NACLQPMHWIPTMA-NVXWUHKLSA-N 445.524 0.589 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705510311 OZZGACUJYZHRJV-GJZGRUSLSA-N 426.543 0.969 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705825220 MYQIGJOGEPDMLU-XHSDSOJGSA-N 440.570 0.443 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1705946428 HKLRGYWZPQBKSU-JKSUJKDBSA-N 427.596 0.620 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706074900 GPGNTHVUIMXAKF-RBSFLKMASA-N 444.583 0.200 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1722360707 JAIMGXAKLPNEPE-KRWDZBQOSA-N 449.558 0.568 30 10 ICEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1729325151 AKKYKNPEZNKAPQ-HZPDHXFCSA-N 438.554 0.020 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1730956209 PYAKDEMQHGUWDH-TWMKSMIVSA-N 439.538 0.556 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC)C1 1740963285 GITJHRQMAHUVID-CQSZACIVSA-N 434.522 0.423 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748801647 DDGUDORVRYUDJF-MRXNPFEDSA-N 439.582 0.984 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 1748929170 FQSPCCBAOYZNDP-DLBZAZTESA-N 441.554 0.266 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749737182 YVLFIJNZJIREDV-KRWDZBQOSA-N 445.549 0.421 30 10 ICEE COCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1749871829 YNAMGWGRKIVCCH-ZPHPHTNESA-N 431.497 0.223 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1760155406 XLMYBXXXWZEDBG-KRWDZBQOSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1760187386 JJNWCJQPZRWAQT-GJZGRUSLSA-N 434.522 0.161 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNS(=O)(=O)CC)CCOC1 1767424101 GOBCKEBGHTYJQV-LJQANCHMSA-N 440.570 1.000 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255700802 IPILRAQGHCQBHT-FKIZINRSSA-N 433.318 0.854 30 10 ICEE C=CCn1ncc(NCC(CO)(CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2270665810 BIFQMIZZNYJFJR-UHFFFAOYSA-N 433.303 0.852 30 10 ICEE CN1CC2(CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C(=O)N1CCOCC1 169787110 SXNRNARPSAEMGR-IBGZPJMESA-N 432.546 0.892 30 10 ICEE Cn1c(=O)c2c(nc(NN=Cc3cc(Br)ccc3O)n2CCO)n(C)c1=O 252637120 XPCCBFGTMGKHKD-UHFFFAOYSA-N 437.254 0.340 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 443921687 UFFFHSLYEQSGEX-UHFFFAOYSA-N 429.433 0.308 30 10 ICEE CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489820303 NRXQXWGUOWTNJW-UHFFFAOYSA-N 429.568 0.935 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c1=O 520165629 SDFKBLYZOYMUSQ-GOSISDBHSA-N 439.516 0.449 30 10 ICEE Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)n1 542126671 AASZQXOALZJTDG-UHFFFAOYSA-N 445.487 0.892 30 10 ICEE CCn1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c2ccccc21 546726860 HIPFZYQEZRLMCP-UHFFFAOYSA-N 435.509 0.637 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ncn(Cc3cccc(F)c3)n2)c1 575631946 FTIIROFTPTXPSN-UHFFFAOYSA-N 428.449 0.932 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cn1 765547751 OSTZAGBQJCZCIW-MRXNPFEDSA-N 432.554 0.836 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 789325775 JHMTZBDLYMULEL-HXUWFJFHSA-N 436.578 0.923 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC)CC1 802490434 GDXUJDPHDCAMOY-UHFFFAOYSA-N 429.481 0.924 30 10 ICEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 914594450 AEPPIVCSUGWPNX-MRXNPFEDSA-N 430.505 0.928 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 1225060944 BLZYNHXDEGABRP-UHFFFAOYSA-N 429.886 0.586 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(c2ncccc2C#N)CC1 1255218170 KXMUNKWJFZRKTI-UHFFFAOYSA-N 449.515 0.560 30 10 ICEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1286447811 NKRKQUUNLJPYBG-YLJYHZDGSA-N 432.502 0.800 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286791239 VUVSBVXMLZNLTH-UHFFFAOYSA-N 443.552 0.542 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1300495160 DRTAHYWFVYMMJY-SJORKVTESA-N 435.550 0.325 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)N2CCOCC2)CC1 1300683594 QZSADUOULOURRO-IBGZPJMESA-N 434.585 0.868 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1301040040 BHOWJHTXRJQXQD-OAHLLOKOSA-N 445.973 0.912 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2CCOC2)C1 1302481107 XAIQJBLLWKLYAF-RLFYNMQTSA-N 442.517 0.480 30 10 ICEE N#Cc1ccc(Br)cc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1306986096 DVLBRXDUBDCCIG-AWEZNQCLSA-N 448.364 0.960 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1359300937 NFLMHSAIZPZVMC-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1360713078 FOCLJVAWDGFKLK-RDJZCZTQSA-N 439.586 0.882 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1442021567 ZXZMURZALPIDLD-INIZCTEOSA-N 440.543 0.095 30 10 ICEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1463866887 PIBSFSQWHJKDNH-QGZVFWFLSA-N 429.882 0.441 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507572896 ADSZQBGAZIWPMM-RCCFBDPRSA-N 438.598 0.849 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1507719047 LLGBFJVPKLSCQZ-HSZRJFAPSA-N 438.532 0.833 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508092425 CAKGDZGWRUFBDG-HOTGVXAUSA-N 440.504 0.883 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1508096309 FTUGQUUFOQYOST-QGZVFWFLSA-N 433.557 0.422 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C#N)ccn3)CC2)cc1 1531665078 LRGOWEWQALNAMO-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE N#Cc1c(Br)cccc1OCC(=O)NCCNS(=O)(=O)Cc1ccon1 1537369189 FTZPHGLYYWLFLX-UHFFFAOYSA-N 443.279 0.923 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)Cc1cccc(F)c1 1539149872 WCNOKZVPBZVUIQ-CQSZACIVSA-N 436.513 0.456 30 10 ICEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(C)(=O)=O 1541455227 RCEBMICFJDBRTR-UHFFFAOYSA-N 433.538 0.951 30 10 ICEE N#Cc1ccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1555987412 GXBWYZVQUNQDJH-HUUCEWRRSA-N 429.431 0.913 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1588930245 QVFCJAZOWYWCAD-IBGZPJMESA-N 444.580 0.859 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1618466579 AYAGVXUNBNZLQR-JOCHJYFZSA-N 439.520 0.354 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1621673573 UFZWCNLRADVKPP-LLVKDONJSA-N 425.937 0.555 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c(=O)nc1O 1635154322 CHZCCJKSPIMGSZ-FQEVSTJZSA-N 436.516 0.629 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1689840467 ZXXZDJYQKONDGB-CABCVRRESA-N 426.506 0.813 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1689936861 GWTDDQXEQNDGGU-GOSISDBHSA-N 429.569 0.851 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689978490 WLLQBGSFOVTYAI-SJORKVTESA-N 435.550 0.566 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1705933312 BSFXSJHTLQSSAD-UHFFFAOYSA-N 443.533 0.879 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711236445 BBOXLJPXTIHPMW-LBPRGKRZSA-N 427.508 0.174 30 10 ICEE COCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712364005 QFASUKPZUZPUOC-ZBFHGGJFSA-N 425.559 0.491 30 10 ICEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712711923 DBHJGYCUDMXECK-UHFFFAOYSA-N 444.565 0.763 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2CC(=O)N2CCOCC2)n1 1722428821 BGLBISMPJWGHHZ-UHFFFAOYSA-N 427.509 0.497 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1722505160 AMZCDGGRZOOYRS-NCOADZHNSA-N 437.566 0.828 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)(F)F 1723960718 UTKMCHOAABJZBS-MNOVXSKESA-N 426.421 0.544 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1729687708 ACIQTBGPKCSARD-AVRDEDQJSA-N 440.504 0.841 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1740960712 YKKGDDTYNPEHFG-SJORKVTESA-N 438.598 0.651 30 10 ICEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1746362123 COYBXNQZSLHJIC-UHFFFAOYSA-N 441.521 0.558 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749676315 MBOUJZGFZBNDFD-INIZCTEOSA-N 433.538 0.084 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760146030 ZYBXWRUDBZAENO-PBHICJAKSA-N 429.568 0.317 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1760199233 SBLWCYSMWFJZPX-LJQANCHMSA-N 445.531 0.962 30 10 ICEE COCCN(CC(=O)N1CCCc2nc(C#N)cc(Br)c21)S(C)(=O)=O 1848751226 WWUZAESHXNHUMP-UHFFFAOYSA-N 431.312 0.903 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850050199 QASPUDUDWQRZLM-OAHLLOKOSA-N 436.914 0.796 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1=O 1856809355 VTFOCQTZDJUUKY-JSGCOSHPSA-N 428.438 0.717 30 10 ICEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)OC1(C)C 2255613641 CLMXRUHJYVNRLV-FIQHERPVSA-N 433.236 0.850 30 10 ICEE C#CCCN1CCC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286033572 VBPZYMZBANLPGA-MSOLQXFVSA-N 437.518 0.773 30 10 ICEE CNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 16775717 OWIXUEZGBUTWCG-UHFFFAOYSA-N 448.526 0.613 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C 516358381 KMEIEMJEWXAYSQ-UHFFFAOYSA-N 436.415 0.603 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 549246177 FACPCFLWQXFZRM-HNAYVOBHSA-N 438.554 0.294 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2ccc(OC)cc2)c2nccn2C)C1=O 550618427 MTPVKVMLLGJQOH-ZWKOTPCHSA-N 425.489 0.880 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)CC1 570143181 RGXJGMLOKVZOLV-UHFFFAOYSA-N 427.552 0.077 30 10 ICEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cn1 609662406 FDVPJNNJYCXMIF-UHFFFAOYSA-N 427.442 0.431 30 10 ICEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732649260 RNRXFQXRIMLNAG-QGZVFWFLSA-N 434.518 0.528 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 733149073 XUCICDJJEOLLJU-OAQYLSRUSA-N 445.539 0.933 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751820932 CEUNZSFHCNEEAI-UHFFFAOYSA-N 425.539 0.726 30 10 ICEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c3=O)cc2s1 755048211 MZBSILUQYPKRMQ-UHFFFAOYSA-N 445.551 0.404 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 765880302 GKQPLMWUTYQDDT-FTHOYRMOSA-N 441.488 0.282 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1F 914595743 QIVBICAKNQLUIG-UHFFFAOYSA-N 427.479 0.867 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)c2cn[nH]c2)CC1 1141651783 SQUDLXLCIARHSY-UHFFFAOYSA-N 430.490 0.259 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1286350303 ZARQNLPMYXZIQR-GOSISDBHSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286380885 FEARFSHLQDOWJK-HLIPFELVSA-N 439.582 0.507 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1CCCO 1286516703 KVQHZVHVFBRPIY-MBOZVWFJSA-N 438.598 0.727 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O 1286566224 REYKMJYATXVXIN-CRAIPNDOSA-N 440.570 0.367 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286785228 BXCJLCDWWVBVFQ-KRWDZBQOSA-N 429.569 0.981 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC1 1288861580 BHALYTJYSJGQEP-KGLIPLIRSA-N 445.553 0.675 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1300465034 JPSXNPKTYBCRCT-GOSISDBHSA-N 449.533 0.746 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1300480217 ZYOXRFYVJQJWRN-FUHWJXTLSA-N 448.593 0.527 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccnc2C)CC1 1300711281 WIGSGRRSDBZJQB-UHFFFAOYSA-N 438.536 0.723 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(CC(=O)N(C)C)CC2)s1 1303550379 MUZBWUBNANWTPN-UHFFFAOYSA-N 428.580 0.377 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1359069963 CAUIZGZIZGGXGD-QFBILLFUSA-N 440.591 0.997 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359331606 DLQBOVQLAJHPJQ-ARFHVFGLSA-N 439.538 0.214 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CC(N)=O)CC1 1359333989 QAMUSFSJZJAVBM-UHFFFAOYSA-N 432.550 0.957 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359343673 YFDUKLQOQPCGKI-RDTXWAMCSA-N 425.580 0.816 30 10 ICEE N#Cc1cn(CCC(=O)NCCNC(=O)c2ccc(Br)cc2)c(=O)nc1O 1442099021 ZHGQKCXMYIPFJJ-UHFFFAOYSA-N 434.250 0.519 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC)CC1 1507720694 WCHJLXIAVVZUMX-FQEVSTJZSA-N 439.582 0.509 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507967938 OYBBJZVORUZDJM-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508059354 SHBSDLBEDFBLPF-LSDHHAIUSA-N 428.522 0.743 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1517354355 UHUBTYGIMZGGFA-MQINBFPNSA-N 429.481 0.371 30 10 ICEE CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1517597200 HBSYUSUCAUWQLF-KRWDZBQOSA-N 436.520 0.954 30 10 ICEE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1540844097 HNQHRHZMJPEJDB-IYOTWJRTSA-N 434.493 0.663 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 1544142221 YGBYDWWBDXDRKE-MRXNPFEDSA-N 428.555 0.669 30 10 ICEE NC(=O)C[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1556005292 VHAQYNDOSNNPHR-FZFLATATSA-N 427.509 0.849 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1588673229 NKHBRKYQPAYUNI-UHFFFAOYSA-N 442.568 0.390 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)CC1 1588955236 SGSPSIUFWSXWSG-UHFFFAOYSA-N 435.575 0.941 30 10 ICEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 1622380159 SDBGEBWVKAYRAL-GOSISDBHSA-N 428.532 0.414 30 10 ICEE N#Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1Br 1632155580 BORVWNRECCKUPX-KGLIPLIRSA-N 428.308 0.548 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1638859973 GZNZGYWAYZVFDU-CYBMUJFWSA-N 432.424 0.754 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)C(=O)C1 1640703329 AZNFYMCBFREBCO-QGZVFWFLSA-N 449.577 0.372 30 10 ICEE CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1641804428 WPZHQSPJVHRKQS-UHFFFAOYSA-N 445.501 0.914 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SCCC(N)=O)CC1 1674207003 NCUDECAOKXCQMG-UHFFFAOYSA-N 425.536 0.271 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1674968719 VTTYAWIAYHZPHC-UHFFFAOYSA-N 428.537 0.617 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 1680465926 DTZZDMGSMQZFQJ-KRWDZBQOSA-N 449.533 0.291 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)C2)c(=O)nc1O 1681936144 CIPSSBKBIPBSNU-QGZVFWFLSA-N 436.472 0.621 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1690660290 DAZVIWZCVNVXEV-OAHLLOKOSA-N 441.602 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2CCOC[C@@H]2C1 1690726782 LLPMHDUYLWLISL-SFHVURJKSA-N 432.550 0.386 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1696502151 OJJUFAQYKZQNQW-CVEARBPZSA-N 446.489 0.870 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705497462 BCSQYENXVLLUOQ-QRWLVFNGSA-N 428.518 0.524 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570872 UUCFFYGSDRVNEM-LJQANCHMSA-N 435.594 0.970 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705633204 LWFYRZDFGGMKBW-KSZLIROESA-N 438.598 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)C(C)C)CC1 1705644670 YVHLOSMNWMUHLX-UHFFFAOYSA-N 445.568 0.544 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1705792570 WLFJCNYOADKFLR-HZPDHXFCSA-N 438.554 0.942 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722333217 UBKSGPHLCRRVHW-IKGGRYGDSA-N 425.555 0.886 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722408264 ZDCLNUPIRCQYLV-MOPGFXCFSA-N 426.539 0.328 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722508866 MSMBNRFWNXQJJG-DFGXFYAUSA-N 437.566 0.828 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1729664847 ORGXUTRHMBWSEJ-KRWDZBQOSA-N 445.549 0.718 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1730930480 NPXAAFOMQWQEBD-YRBFXIGRSA-N 427.527 0.290 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1731188729 IBVOMBXGDSIYRO-OLZOCXBDSA-N 430.856 0.710 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCCC)CC1 1740709332 FMDDYSGMSDZDGY-HKUYNNGSSA-N 446.552 0.494 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741108903 KPLQHAGNLOHLAZ-QBNCKDSPSA-N 443.508 0.098 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1748962413 HJHZVMLFYWJYDE-LPHOPBHVSA-N 441.623 0.704 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1749876736 NZLDCYKCQVSHJT-QFIPXVFZSA-N 437.504 0.876 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1750030444 MLQGANOIPDQAIV-UHFFFAOYSA-N 438.536 0.553 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760433780 VWPHHSGPILRDNX-KGLIPLIRSA-N 439.542 0.327 30 10 ICEE CC(C)Cc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761019145 QOYNGMOLGPLAHH-XDSRXIPYSA-N 427.509 0.862 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(C)(=O)=O 1766408349 YNKFMTMEZFPIDS-UHFFFAOYSA-N 448.553 0.347 30 10 ICEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1766500382 GIOWKVZPQKYNQK-CABCVRRESA-N 426.543 0.824 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NCCS(N)(=O)=O)cc2Cl)OC1(C)C 2267708627 NLAGNMXCAYVBQQ-UHFFFAOYSA-N 430.766 0.268 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267884290 OHKGFCYIYRKDRU-KGLIPLIRSA-N 448.329 0.876 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508886493 BCHDQZHLQSQIQN-JKSUJKDBSA-N 440.570 0.538 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 535229926 HZMAXIFWKFOVJS-DAABDDCCSA-N 445.589 0.994 30 10 ICEE N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 550568538 MXBZFKFKOOMTFG-UHFFFAOYSA-N 449.492 0.852 30 10 ICEE C[C@]12CC[C@@H]3C(=CCC4=C=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)C#C[C-]43)[C@H]1CC[C-]2O 585661059 KLZHLTXOYIKTBG-YXBBMHSQSA-N 442.464 0.957 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 747742156 OXQUDEGLDBHRBA-UHFFFAOYSA-N 433.530 0.618 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CSCC#N)CC1 918612791 OGYKWWYYJLRGPB-UHFFFAOYSA-N 431.561 0.488 30 10 ICEE C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1NC(=O)C(F)(F)F 1135085054 HPWFWGYQOPWNTH-PWSUYJOCSA-N 432.424 0.641 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCS(=O)(=O)CC1 1147896579 DDNSMSGNESORLT-AWEZNQCLSA-N 428.536 0.046 30 10 ICEE N#CCC(=O)N1CCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 1194459729 YTHDSPCOYPQIHZ-UHFFFAOYSA-N 425.533 0.784 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1286686855 DEMZWQKJPIEELG-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1296605332 HNXRMSJRILDVBM-UXHICEINSA-N 436.488 0.654 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)CC1 1300683086 LFURTJVBVXUDJN-HNNXBMFYSA-N 447.565 0.559 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300756309 JOSQFQMRPOEHCZ-GDBMZVCRSA-N 445.549 0.362 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1301296069 DYNMOOQTFFYSEV-MRXNPFEDSA-N 436.538 0.289 30 10 ICEE C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1312934094 JCIVEPSLTPVQOP-LLVKDONJSA-N 426.882 0.709 30 10 ICEE CNS(=O)(=O)CCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1313125725 AUAHDMDXDXYTAR-UHFFFAOYSA-N 431.522 0.719 30 10 ICEE COC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1315116620 DXIOTBPCKFQUGX-INIZCTEOSA-N 431.497 0.608 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1476473626 JTHUBKKIAXEKLE-UHFFFAOYSA-N 438.506 0.911 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 1478050776 GACSDLZDVFGLDF-YOEHRIQHSA-N 449.533 0.652 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 1479310503 KVPMKCKRMJOORA-INIZCTEOSA-N 449.533 0.928 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507536584 CSWHHNHJRHBYPE-NQYLQCIDSA-N 432.502 0.798 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507631807 GHUHSINWHKJSPR-LSDHHAIUSA-N 444.579 0.232 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1507663357 YTZWACNOEAUUJZ-JOCHJYFZSA-N 441.557 0.878 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1507711729 YMGDSRQOWCIIEX-KRWDZBQOSA-N 446.533 0.668 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCOCCS(C)(=O)=O 1507761014 DWTAKFUJQTUOMX-HXUWFJFHSA-N 446.533 0.979 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1507968253 QNIAWFBZOPHQDZ-YJBOKZPZSA-N 444.627 0.718 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1517125580 SASRMQOZHYHVPD-KRWDZBQOSA-N 446.533 0.644 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(C)c2C)CC1 1539467748 YJRCBUCLZBNJLR-UHFFFAOYSA-N 426.525 0.472 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1540871949 YIFUFILOKMHFGF-HNNXBMFYSA-N 447.517 0.848 30 10 ICEE CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1547766591 NNJWSIJHTLTXSD-INIZCTEOSA-N 426.481 0.000 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1587640159 PJJAYZOSBRBOQB-GOEBONIOSA-N 438.554 0.128 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1588054612 OKRQZSXQUVSIJA-ZBFHGGJFSA-N 426.564 0.607 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCOCC2)CC1 1588877136 WPJBUZGWNVNSMW-ICSRJNTNSA-N 446.552 0.006 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)N3CCCC3)C2=O)cc1 1617739733 LRVXXAGUUCMHCS-MRXNPFEDSA-N 433.490 0.305 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 1620564906 XBMMXHCCAHOLMR-ANULTFPQSA-N 433.597 0.810 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 1620623365 UPRWBOZKUDTUDY-GOSISDBHSA-N 444.916 0.926 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1631133051 NKGLRSZKMSISEO-HNNXBMFYSA-N 431.559 0.267 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN([C@H]4CCOC4=O)CC3)C2=O)cc1 1631262521 VXHGSHMUNWITNS-ROUUACIJSA-N 439.472 0.659 30 10 ICEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(I)ccc1-n1cnnn1 1636546536 VCGRFAZJOBKHBB-JTQLQIEISA-N 428.190 0.377 30 10 ICEE C#CCN(CC#CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1636740983 TZIPFXVAKKFRIX-UHFFFAOYSA-N 432.546 0.815 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)CC1 1662385538 MYQORMOPLHHGLZ-GOSISDBHSA-N 427.567 0.049 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988529 QZTILBOOMPLMAC-HZPDHXFCSA-N 435.550 0.673 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccn(CC)c2=O)CC1 1690111527 DDPXTUKNSXVUEX-SFHVURJKSA-N 428.537 0.987 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690670481 CEXYYJLLOZUQPU-QZTJIDSGSA-N 447.584 0.511 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1690958380 TUEFYNSQPYVHMD-XUVXKRRUSA-N 440.504 0.698 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1692580613 AEMUIWQZKMERBE-IAGOWNOFSA-N 430.506 0.310 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705829487 SOZUTQPNBSJUFR-KRWDZBQOSA-N 447.540 0.396 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722608824 MLMQIBQBVCOXOU-CQSZACIVSA-N 448.615 0.715 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1722699294 UBYCYLFKEZPVBD-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722865260 ZDOVCIZKIBFSNA-LDDOYCOJSA-N 426.543 0.822 30 10 ICEE CS(=O)(=O)CCOCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1731009096 XRJBCMVLHSWXAB-INIZCTEOSA-N 437.497 0.798 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1740616397 AIVCPLDHFAYJQG-SFTDATJTSA-N 443.573 0.828 30 10 ICEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)NC)CC1 1740698848 NJSXSRUCTXWWER-UHFFFAOYSA-N 432.550 0.204 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1740717618 XHDQTFBPNCMSFS-LSDHHAIUSA-N 429.568 0.203 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1740941984 YBJMIVWSYXOFFK-KRWDZBQOSA-N 441.554 0.597 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)C1 1740955565 YCCPBBSCTUNFMT-UHFFFAOYSA-N 428.493 0.979 30 10 ICEE CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1745286962 FXICZYXRBVMABO-LSDHHAIUSA-N 428.559 0.948 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cc[nH]n1 1748784526 OOZKKWHOPJRYRQ-UHFFFAOYSA-N 441.521 0.461 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760190130 OKHQZARYQVVNTA-GHTZIAJQSA-N 435.594 0.704 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1760190362 PKBZHRNKHWKTRJ-QGZVFWFLSA-N 440.533 0.560 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 1760330115 SPJRAFOEDCQBCU-HNNXBMFYSA-N 428.559 0.540 30 10 ICEE CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760917177 YNRRRBDTPWIHNR-VLGSPTGOSA-N 436.538 0.941 30 10 ICEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769331511 QDFDQPNLCIHNHP-CVEARBPZSA-N 439.524 0.685 30 10 ICEE COCCN(CC(=O)N1CCC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)S(C)(=O)=O 1855007267 BZYLUWWOHCTHCA-JKSUJKDBSA-N 426.539 0.038 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C[C@@H]3CCc4ccccc43)C(=O)C2)C1 1856830714 SGXIWSNCENAMOD-ROUUACIJSA-N 430.530 0.705 30 10 ICEE C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1 442262419 HACKLAPFUFCMOF-UHFFFAOYSA-N 449.577 0.328 30 10 ICEE C=CCNc1nnc(S(=O)(=O)CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)s1 479010065 KQGRHJDPSGJFTQ-LBPRGKRZSA-N 436.581 0.581 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)C1 749789738 BVHADQQVBZHKJP-NRFANRHFSA-N 447.580 0.758 30 10 ICEE C#CCN(C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 774190275 AAOJXQQSXKEXSG-GOEBONIOSA-N 427.548 0.830 30 10 ICEE C#CCN(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 774251890 PBWVBFQFQJMPGI-LBPRGKRZSA-N 431.458 0.132 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 800775251 JUYYNNUQQAEOKF-INIZCTEOSA-N 434.522 0.532 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 800780480 WGYIWEOYYSDCCE-HUUCEWRRSA-N 442.542 0.512 30 10 ICEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 807938006 RQJPKCLNLYPWMP-HNNXBMFYSA-N 427.490 0.714 30 10 ICEE C#Cc1ccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1180210702 MNNDEADSNNHXPJ-KRWDZBQOSA-N 443.481 0.990 30 10 ICEE C#C[C@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1183669354 FOCGTUGMQOLXIZ-HNNXBMFYSA-N 427.442 0.944 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)C)CC1 1286646223 NSIMWYQPSSXEIV-INIZCTEOSA-N 440.570 0.540 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCOCC1 1293112952 ARRBCEOUUQQFDA-INIZCTEOSA-N 439.524 0.466 30 10 ICEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293581263 AFBCSGITRXFECI-OFGXNVERSA-N 429.481 0.371 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1298104173 QZBUXCYNHVZYHO-CYBMUJFWSA-N 447.521 0.208 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300492972 PWUKBWFZICGWOZ-IXDOHACOSA-N 436.582 0.586 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1300664584 RYZXINUTGDQZIC-UHFFFAOYSA-N 435.506 0.669 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@H](C)C2)CC1 1300706746 ROYFJBFRBKNZFB-HXUWFJFHSA-N 443.596 0.657 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1300991921 YALZOOBVOBNFKR-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2ccnn2)CC1 1301086537 KYGUKGVFUQPJMQ-MRXNPFEDSA-N 436.542 0.449 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(OC)CCOC2)CC1 1301086694 NGIJIPRCXKJMLC-APWZRJJASA-N 441.554 0.573 30 10 ICEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1301367036 JXDXKUQDNZYSLF-MSOLQXFVSA-N 429.569 0.686 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301474641 DQKQBIDBQHRGEB-UHFFFAOYSA-N 449.519 0.410 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1301557550 PTVKESFQLJADGH-WBVHZDCISA-N 449.533 0.871 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1306392596 OQYSBJIDXQGDOR-YKHTYXQRSA-N 445.524 0.946 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CCS(=O)CC1 1316567882 RHSCQLIXSRWCEN-HNENSFHCSA-N 441.517 0.359 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1359023162 BOVXQRJKSYPGHD-UHFFFAOYSA-N 444.517 0.323 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1508090118 HPQFDSZUNQPPDQ-HUUCEWRRSA-N 428.559 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540908120 CEDZEXXKBHDJLF-IRXDYDNUSA-N 427.571 0.572 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1540954734 HVOFCGGZOBBBNB-QIIPPGSGSA-N 441.533 0.589 30 10 ICEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1556977336 LUMFEYUTGNYITI-UHFFFAOYSA-N 442.563 0.765 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)cc(I)c2)CC1 1558074748 HNNPXJYUADLDJV-UHFFFAOYSA-N 447.298 0.825 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587978918 CTZFOSPTAXNHPU-CQSZACIVSA-N 441.517 0.945 30 10 ICEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595399408 YEUBRDNDXZHVOO-INIZCTEOSA-N 435.554 0.911 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595562069 MPSUEEWTCVHELV-UHFFFAOYSA-N 447.565 0.332 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595569364 FYTQEEUFGQIDEL-MSOLQXFVSA-N 445.568 0.250 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 1616926253 BIIZVEORXUGJCB-UHFFFAOYSA-N 429.340 0.863 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1618647496 ZUWKMTQJAQMBAL-UONOGXRCSA-N 432.506 0.656 30 10 ICEE C=C(CCN(C)C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1618703672 USQQDLZXDJIKBO-UHFFFAOYSA-N 430.571 0.588 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)s1 1625085702 DURJFZOVWLJFIB-RXAIFQJESA-N 442.588 0.821 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(I)c2)CC1 1636479879 HMXCIXYEPASQBM-UHFFFAOYSA-N 447.298 0.446 30 10 ICEE C#CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cn1 1640013024 VVHPIGMCYANZLO-IKGGRYGDSA-N 436.534 0.803 30 10 ICEE C=CCC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1651764338 USANUPGJAPKJNJ-UHFFFAOYSA-N 448.545 0.676 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690676023 NBBLSXWUINYICW-OAQYLSRUSA-N 428.493 0.870 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1698306507 HHARFWUWBNLRKZ-SFHVURJKSA-N 441.517 0.963 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1705565437 IGBCAKARMLZOKD-ROUUACIJSA-N 449.577 0.811 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705635682 HFEPSWSGSHTACK-UHFFFAOYSA-N 433.534 0.541 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1705896327 JCOGVLDONXPMNZ-UHFFFAOYSA-N 433.534 0.860 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705940011 SKJYEOJTYNKWMS-UHFFFAOYSA-N 449.581 0.263 30 10 ICEE Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707876117 MCWRTQKGDPEHOU-HNENSFHCSA-N 427.509 0.952 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCN(C)C2)CC1 1722448780 HRCZNQWBDUGLOH-QFIPXVFZSA-N 442.589 0.963 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722523366 PPHOSQHDXMANNB-CQSZACIVSA-N 431.584 0.617 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1722689807 AEWJRRLYKKEJLU-KSSFIOAISA-N 426.543 0.197 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)COC(=O)N2 1722729449 KWGKUFZBSOTDNL-UHFFFAOYSA-N 446.533 0.944 30 10 ICEE COCC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1730418558 SQLLACWLSRZUCF-HTXNQAPBSA-N 431.497 0.223 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1740548956 CMSFGMXNJPOVSI-SJORKVTESA-N 438.598 0.943 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740627617 RNDGNJJIWDTQFA-JXXFODFXSA-N 434.518 0.909 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740865769 VQWKUIVEGPYAPM-QGZVFWFLSA-N 438.598 0.747 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740959745 DNAWIDNOYZJILJ-RHSMWYFYSA-N 449.533 0.962 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1748892193 KVMPLSUYYAICGJ-MJGOQNOKSA-N 448.593 0.557 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)CC1 1748977093 CTNOIXVEJWVMOZ-KRWDZBQOSA-N 431.566 0.590 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)CC1 1748990490 XSUVCRCQWDRBKR-JXFKEZNVSA-N 433.534 0.436 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCCC)CC1 1749003797 WIOHPMTXZYBFGT-QFIPXVFZSA-N 446.552 0.422 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749676352 NKURCBGLWAVIHL-KRWDZBQOSA-N 439.520 0.736 30 10 ICEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760364891 FRKMDIDXEOIXTE-UHFFFAOYSA-N 437.932 0.440 30 10 ICEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1765562273 KMTFSMYYSNDOLV-MSOLQXFVSA-N 430.557 0.376 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H]1O 1767921926 QVEDXTFSQLIQHI-RTBURBONSA-N 442.520 0.755 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1770051902 PZNNZULTIFFTHD-BZUAXINKSA-N 427.527 0.556 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)C1 1856849534 FNJKSZDCYRUMQR-HNNXBMFYSA-N 426.445 0.106 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COCC 1857347370 PAAWEZKMDZGOEC-KRWDZBQOSA-N 435.502 0.546 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC 1865722487 SMRVIJXWMRSHIE-CQSZACIVSA-N 428.445 0.098 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1=O 1872994432 QNQONPCRZWCZGU-DLBZAZTESA-N 442.491 0.884 30 10 ICEE CC#CCN(CC(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900624412 JYDYXAVGXNZDMJ-UHFFFAOYSA-N 429.514 0.611 30 10 ICEE C#CCOCCOCCOCCOc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2070389329 LHOWRJZHHOVQGC-MRXNPFEDSA-N 444.440 0.150 30 10 ICEE COC(=O)c1c(OC)ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1OC 536656061 GNHSAFIADKRILM-UHFFFAOYSA-N 441.506 0.727 30 10 ICEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 585673735 QRMRYYKXWZDAFQ-LCXHCMNESA-N 434.456 0.804 30 10 ICEE C[C@H](CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 752041807 HSQOWNZQFNZGQX-MTJIALIYSA-N 447.517 0.340 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 766235191 YFGDANZQOKSMOM-UHFFFAOYSA-N 442.501 0.423 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NCCCC#N)CC1 784442018 IJLKMCFVLBIIOJ-UHFFFAOYSA-N 428.536 0.718 30 10 ICEE CN1CCn2nc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2S1(=O)=O 1137498636 ASCHWPDLWXTFJM-UHFFFAOYSA-N 430.490 0.602 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(I)cc2N)CC1 1175515003 NHXXGDFLEMQEBI-UHFFFAOYSA-N 448.286 0.099 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)C[C@H]1CS(=O)(=O)C2 1179649844 BGOQRCNCIIPWOD-LKFCYVNXSA-N 448.320 0.107 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1253780363 YEKSVCZVFBKCDN-CQSZACIVSA-N 436.490 0.072 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1286394126 HBRHTJFOFODNKH-KRWDZBQOSA-N 447.565 0.245 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1286447905 OYIMAPGIUPPCFI-INIZCTEOSA-N 436.538 0.978 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286549211 WKZZIFCJXUZYDO-IEBWSBKVSA-N 447.584 0.656 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1286820464 LUERTTMSWZRQIV-KRWDZBQOSA-N 435.554 0.891 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)CC1 1297516305 GJRQFYKOBBTQCR-UHFFFAOYSA-N 432.525 0.859 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1301509778 NCIJKCJYOQKLLD-UHFFFAOYSA-N 439.524 0.128 30 10 ICEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1303173339 GMCWCURMSREYIE-LBPRGKRZSA-N 425.836 0.954 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312485008 FWZSFEMRDREJOB-NJAFHUGGSA-N 429.477 0.802 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1358889851 HPQZPJSGNRQPDV-IAGOWNOFSA-N 440.566 0.850 30 10 ICEE COC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1452726094 SWVSRGNGQLNDLC-QGZVFWFLSA-N 433.417 0.943 30 10 ICEE COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505052864 STUPMWBGOKPOAL-IBGZPJMESA-N 428.541 0.979 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1507537750 JEKNHSUYYXKCOD-GDBMZVCRSA-N 431.518 0.551 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1507623414 RULVCANTKJDPSH-QGZVFWFLSA-N 447.565 0.707 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1508421517 BMSIRMPYTMOIOG-BZUAXINKSA-N 426.543 0.633 30 10 ICEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538310451 XIEBUSWFFDXHNL-FUOQNJDISA-N 447.557 0.926 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554390872 YHNWAHDGFSBXTP-DBOZTHHTSA-N 431.497 0.127 30 10 ICEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555485093 DZIFANCCQNSJNS-ROUUACIJSA-N 430.557 0.374 30 10 ICEE C#CCN(c1nnc(C)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588035889 ZCRKMPHORVHGAU-QGZVFWFLSA-N 426.539 0.425 30 10 ICEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1589647109 ZBIJDIFNVOFLTE-ONOODXEBSA-N 428.507 0.564 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1594784158 SJVGXPLEJVHIGH-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1598202470 HERDKKUXNVGNMB-JTSKRJEESA-N 437.504 0.371 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1616335742 HEEABHLPNPSLRB-GRDNDAEWSA-N 443.572 0.606 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 1637382442 KAXGEQVUCPTZRX-KSSFIOAISA-N 431.518 0.979 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)ccc1F 1650742066 DRTSMQBGRJEHIE-AWEZNQCLSA-N 425.482 0.393 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCC2)CC1 1690136458 FVCNKACAHKXUPS-UHFFFAOYSA-N 437.504 0.806 30 10 ICEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690361210 KMWKRSPPEHFUNK-IBGZPJMESA-N 425.555 0.903 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690676993 KJPFYBCGDWESHP-HNNXBMFYSA-N 442.476 0.809 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705534390 HEQFPZDYGCWBKN-ULQDDVLXSA-N 441.554 0.265 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569695 JHMAAHAVHWJPBC-ADKRDUOOSA-N 447.586 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705634722 HCUGZJILZSYJFQ-REWPJTCUSA-N 444.580 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)CC1 1705647271 CAAYERJBJZNMNA-MSOLQXFVSA-N 447.561 0.839 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)COCCO1 1706870136 WLFAVHOIQWYAMQ-KSSFIOAISA-N 426.543 0.824 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722555515 LMZDKRLACRTWLD-BBRMVZONSA-N 434.971 0.948 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740624238 GSLGFXHYXRAUSB-GOSISDBHSA-N 446.577 0.289 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1740655589 DFVWTJBWDHAIER-QGZVFWFLSA-N 437.566 0.889 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N(C)C)C1 1740983069 AMFHCSKXRXCBQV-OAHLLOKOSA-N 426.543 0.073 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1748860095 VZEQWAXQYDHIDZ-QGZVFWFLSA-N 432.481 0.266 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1748988797 BNFVIUIIPBQTHJ-DLBZAZTESA-N 436.582 0.240 30 10 ICEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1749531699 LVQZNLOVAIYDBH-KRWDZBQOSA-N 443.533 0.843 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760189590 VLWPGIJRRBYOLL-CVEARBPZSA-N 431.522 0.143 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760190460 QUUFOTLPOLGGBM-OALUTQOASA-N 445.545 0.696 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)CCCO2)CC1 1760271009 IFJFZAAROKHLMJ-QFIPXVFZSA-N 428.537 0.935 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760542505 HXYMNRNQHDATNV-OWCLPIDISA-N 444.579 0.396 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1760688478 IOBIFKIHSOSXEL-VQIMIIECSA-N 440.570 0.950 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1764188271 SECGALLKNLTWRJ-HRAATJIYSA-N 429.525 0.936 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(F)c(F)c3F)C(=O)C2)C1 1856850902 TWJWXAPAHIGRNP-NSHDSACASA-N 430.408 0.316 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](O)C1 2267165414 FFEZFAHCTKHTIE-LSDHHAIUSA-N 448.329 0.876 30 10 ICEE C#CCCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286012932 UCNRNQDYSMGKRJ-SFHVURJKSA-N 437.518 0.425 30 10 ICEE CC(C)CN(C(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 23617430 UUSMZPGFAJWSPA-KRWDZBQOSA-N 427.548 0.996 30 10 ICEE CNc1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C1C2=O 65747843 QIFALPZRQOUILR-QIOQJCNDSA-N 443.456 0.162 30 10 ICEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 409513123 LMBWJGHMHGGWHL-UHFFFAOYSA-N 440.485 0.278 30 10 ICEE CN(C)CCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 438696923 JSIKYIOJVCGTNP-UHFFFAOYSA-N 431.522 0.855 30 10 ICEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 472477793 RCWWCSIQXLHQON-MRXNPFEDSA-N 434.522 0.378 30 10 ICEE NS(=O)(=O)c1ccc2c(c1)CCN2CC#CCN1CCc2cc(S(N)(=O)=O)ccc21 472593178 SIBYBVMWVDEDJS-UHFFFAOYSA-N 446.554 0.410 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478754289 NVJADXPAKYPRNR-GOEBONIOSA-N 428.514 0.321 30 10 ICEE COc1ccc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732464922 ABWLXMLQTCYTNG-VHEBQXMUSA-N 427.461 0.689 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CCN1C1CC1 732706966 SHWZRNOQSXRKLB-SFHVURJKSA-N 425.489 0.825 30 10 ICEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707373 ZDFNTQKWLNJKSI-AWEZNQCLSA-N 435.506 0.083 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCOCC)c2=O)cn1 735069703 ZJHORJJKJZICFN-UHFFFAOYSA-N 429.546 0.725 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 766382213 YXSKGMBTHZNAAM-HXUWFJFHSA-N 426.517 0.929 30 10 ICEE C#CCN(C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@H]1CCS(=O)(=O)C1 776054805 PEYABZCSTNTSET-UFYCRDLUSA-N 444.557 0.417 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 781661540 KGGSRTVMECMYRY-UHFFFAOYSA-N 441.557 0.867 30 10 ICEE Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 1248480433 KRLGSNZZXZVDBG-HNNXBMFYSA-N 433.563 0.900 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)C(C)C)CC1 1286646225 NSIMWYQPSSXEIV-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1286746098 OMXUQPQCNXMINK-DYESRHJHSA-N 445.545 0.971 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286785014 BSXVVKMDSPNQRD-UHFFFAOYSA-N 447.503 0.463 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286831712 JMUDJDMUESJHQC-ZIAGYGMSSA-N 429.568 0.051 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300482765 GXHXTWWMHSGTGY-HUUCEWRRSA-N 431.584 0.358 30 10 ICEE C[C@]1(C#N)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCO1 1308114478 OXQMLUATVJPYPO-SFHVURJKSA-N 442.925 0.914 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959541 LDWRXAVYEWGEGI-CQSZACIVSA-N 436.925 0.708 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1358961108 RTNXPANOJLWQBL-KRWDZBQOSA-N 440.533 0.728 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1359023860 YPDZTLZXXGFQJD-UHFFFAOYSA-N 445.505 0.229 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1359041952 NFJSKGRZOYVGDN-UHFFFAOYSA-N 429.488 0.959 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1359215594 FWKRTBSYJDAWNN-HUUCEWRRSA-N 426.543 0.244 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NC)C1 1359314155 WWQMPOPTAUMHJW-ZIAGYGMSSA-N 428.559 0.442 30 10 ICEE C=CCOC[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1467515360 GZHDXJKDOIABOK-YXBWYFRISA-N 431.489 0.760 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 1475621117 ZIKRHYHFCYPKKY-UHFFFAOYSA-N 429.417 0.618 30 10 ICEE C#CCN(c1nnc(COCC)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507636530 AEFMPZUHOPZYHH-RXAIFQJESA-N 430.596 0.989 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507668730 BUCVNTNLBNNZRQ-FQEVSTJZSA-N 448.527 0.898 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507756235 YPRLBKVTSFLPBE-KRWDZBQOSA-N 445.593 0.340 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1508079089 NQUDRTRPLIMPHN-UHFFFAOYSA-N 442.520 0.787 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1508095466 POQRCNQRLOFAKO-UHFFFAOYSA-N 431.541 0.444 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539206570 RKMZABWVQJNXNB-QGZVFWFLSA-N 434.518 0.641 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)C1 1539415418 CLOFOKHGPBKUMU-HVEKOLDVSA-N 426.539 0.877 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1540869688 UQDSNPKUUQMDBG-HNNXBMFYSA-N 437.504 0.967 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540874790 SBYJYIOJSXEOJI-QFIPXVFZSA-N 435.488 0.890 30 10 ICEE CN(C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)S(C)(=O)=O 1568888626 SSPFOBRWIUAAEW-CYBMUJFWSA-N 431.511 0.867 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595789554 WSBHQVCUFJWWFT-AWEZNQCLSA-N 435.510 0.613 30 10 ICEE C#CCN1CCC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1596610818 XUMQSHAFPGEHQR-LJQANCHMSA-N 434.562 0.430 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1620638012 NEIXNIAQGJJXBN-BBWFWOEESA-N 443.566 0.776 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C[C@H]1CS(=O)(=O)C2 1626655580 IGAVXTRZSIKSRG-QFYYESIMSA-N 426.292 0.956 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681300116 DNMFFKYVFNAMHD-IAGOWNOFSA-N 435.506 0.013 30 10 ICEE C#CCN(C(=O)NC1CN(S(=O)(=O)N(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1683140828 IWUWSJSWGPQXKL-UHFFFAOYSA-N 443.570 0.521 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689987703 AWJFTXNPGHXGAS-CYBMUJFWSA-N 433.456 0.851 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1690313538 WPYMIOISPVUAOV-KRWDZBQOSA-N 438.554 0.944 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705568215 JIWRAGIINNONSE-FXAWDEMLSA-N 434.566 0.927 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1705674146 AQTRUMVIGQSDME-IFXJQAMLSA-N 431.522 0.325 30 10 ICEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705827577 KLURLXWVOXPCTL-KRWDZBQOSA-N 440.504 0.693 30 10 ICEE CC(C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1706632584 CDXAWMILADYHTN-INIZCTEOSA-N 446.533 0.992 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1722324472 SGXILANUDQAZHJ-QGZVFWFLSA-N 438.598 0.850 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1722373977 SSJYXNLBMKYNAQ-INIZCTEOSA-N 442.545 0.759 30 10 ICEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC)C1CC1 1722646303 MBPZGNGOSLCMOT-UHFFFAOYSA-N 429.510 0.625 30 10 ICEE COc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1730090803 NQODJNRKYXKKSG-CZIZESTLSA-N 437.460 0.416 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1 1740646184 RPYHXNKMANRZEU-OAHLLOKOSA-N 428.518 0.498 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CC)C2)CC1 1740700466 ALLHXEGFCJSHSI-SFHVURJKSA-N 441.580 0.822 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740957567 SFMTVTYLGXJAAO-UHFFFAOYSA-N 426.525 0.320 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748820506 CURYMULWODAYDC-BZSNNMDCSA-N 449.577 0.700 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748821591 RLWLTFSUEAYOGS-SIKLNZKXSA-N 444.557 0.841 30 10 ICEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749272004 GXNCQULMLOVESM-UHFFFAOYSA-N 445.955 0.997 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749755867 NDYKZLURQCVLQB-JKSUJKDBSA-N 443.595 0.441 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1760206273 VCDMQRVMIDZCHY-ROUUACIJSA-N 434.566 0.026 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760527551 AGPGRVHQZVLLQE-HNNXBMFYSA-N 449.533 0.791 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760554099 RFKMGKOQPHHDEJ-KXBFYZLASA-N 434.522 0.720 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCCC2)C1 1771360674 DVZMYHFKPCWSTD-MRXNPFEDSA-N 438.554 0.656 30 10 ICEE C[C@H]1CN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1854242372 PLPOQKOGHKZTRW-QFBILLFUSA-N 432.546 0.832 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CCC)CC3)CC2=O)CC1=O 1857049804 XNVXBIFXVNXWJV-IAGOWNOFSA-N 425.551 0.848 30 10 ICEE CC(C)(C#CC(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2244284222 XUWFJYFCUAQPJD-UHFFFAOYSA-N 429.514 0.657 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2334388702 HYIPCTFMZHEZNM-FVQBIDKESA-N 449.313 0.660 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 105311923 WUWRPWWSNJUESR-LJQANCHMSA-N 440.610 0.255 30 10 ICEE CC(C)CN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 464862164 HPANTCZVCRMEJS-IRXDYDNUSA-N 434.566 0.530 30 10 ICEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469964112 QLYOGJGFOMEIJW-KDOFPFPSSA-N 430.486 0.911 30 10 ICEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)n1cnc(C#N)n1 538412292 RVXPFVPOAQHVNX-JTQLQIEISA-N 428.396 0.661 30 10 ICEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)nc1 608985281 KYSRRROKTFLUTK-UHFFFAOYSA-N 441.536 0.108 30 10 ICEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCN(C2CC2)C1 609541164 JZHPAVUWCKPHFP-IBGZPJMESA-N 431.562 0.560 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 803701490 VFKYOZOHYXFJQV-UHFFFAOYSA-N 447.469 0.634 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@H]43)C2=O)cc1 1140808073 FPWRAYIQNMLDTK-BRWVUGGUSA-N 430.486 0.941 30 10 ICEE N#Cc1cn(CCNC(=O)Cc2cc3c(cc2Br)OCCO3)c(=O)nc1O 1167523482 FSKPJLROOBWKRM-UHFFFAOYSA-N 435.234 0.713 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 1231173990 HAEIPAFBVBCRME-HNNXBMFYSA-N 432.506 0.635 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1280455502 DEYRTVMGUPUNRJ-SNVBAGLBSA-N 436.387 0.877 30 10 ICEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(=O)OC 1299179198 UBNZTKHFHNUQGD-KRWDZBQOSA-N 437.518 0.316 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1300307646 HIYGSPNUCULASW-GOEBONIOSA-N 434.522 0.521 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(O)CC2)CCO1 1303001463 AHKKEXMGNNAZTB-KRWDZBQOSA-N 440.508 0.501 30 10 ICEE C#CC1(O)CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1307962872 XGPBRIBCHLQCEP-QGZVFWFLSA-N 435.546 0.803 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1359089730 OAMRUVKXIPWENR-LPHOPBHVSA-N 446.552 0.966 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)CCOC(C)C)CC2)c1 1459608079 JXLQWPVYRXAARE-UHFFFAOYSA-N 436.534 0.688 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507716312 PVSJZEKFSCRKON-IERDGZPVSA-N 425.493 0.221 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508080575 CEFSZURUJACOFG-UHFFFAOYSA-N 441.511 0.787 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC(F)(F)F)C1 1519560932 AFFRVIOKBZSWKL-MFKMUULPSA-N 426.396 0.615 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1521128596 FCQLFZQYJRYEJH-JKSUJKDBSA-N 432.506 0.489 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1539751743 SVNZJJQPSFEABZ-MRXNPFEDSA-N 425.555 0.878 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1 1540054482 QEPIVWYLOFYSKK-HXUWFJFHSA-N 434.566 0.884 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1561875776 GOOXVGBKXYJMPO-AUUYWEPGSA-N 439.490 0.926 30 10 ICEE COc1ccc([C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N2CCOCC2)cc1 1587592205 GXVANHBSCCZQIG-GOSISDBHSA-N 427.461 0.409 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 1588835519 ACLJIJAIPINRIG-SFHVURJKSA-N 448.549 0.316 30 10 ICEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1630372376 BRFYVDDBWGIFTR-UHFFFAOYSA-N 443.591 0.739 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c1 1640561148 GETLJBHZQVEAEQ-UHFFFAOYSA-N 433.530 0.890 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)c1 1642925856 KENJMXUFKILTOO-ZWKOTPCHSA-N 433.486 0.941 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)CC1 1658969809 FNUYMXYMMVYEPQ-IRXDYDNUSA-N 442.582 0.119 30 10 ICEE C#CCN(C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCS(=O)(=O)C1 1660319013 WJMZKLAZJOSMCR-LSDHHAIUSA-N 428.536 0.514 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCS(=O)(=O)C3CCOCC3)C2=O)cc1 1682226364 HVOLXLNPLFWGRH-SFHVURJKSA-N 434.518 0.552 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1686140221 LSQVOAMRLYXZTQ-MRXNPFEDSA-N 443.570 0.571 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)NC)CC1 1690119877 WGTFHKHGMIEDMT-UHFFFAOYSA-N 439.545 0.798 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1705541664 OSSAXWKPBPNRFO-HNNXBMFYSA-N 433.538 0.238 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568065 GQEVPCLCTAYYHE-KRWDZBQOSA-N 449.577 0.844 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1705730624 MKMSQTLCHYYIGN-HNNXBMFYSA-N 428.559 0.540 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)C1 1705926143 YTOFKJKBHLDPMR-HZPDHXFCSA-N 443.570 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1705930591 QQUHEGCIHIGWDN-OAHLLOKOSA-N 448.615 0.020 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1705932114 LVFLWKINWWPIOM-UHFFFAOYSA-N 447.565 0.871 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1705936150 KTDCIIHNHUTZCC-MAUKXSAKSA-N 446.595 0.786 30 10 ICEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1706314666 GDXUPLYGAPGXCD-HXUWFJFHSA-N 445.549 0.544 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1706890411 NPIPLKPJSVDDLA-GDBMZVCRSA-N 438.554 0.824 30 10 ICEE CCN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1709905162 AIOGFMSIAVVXPC-QGZVFWFLSA-N 439.524 0.659 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722700291 DLPOYKCOSJBZKI-MRXNPFEDSA-N 438.492 0.039 30 10 ICEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1723401468 WKMVKSIOZSQISH-KRWDZBQOSA-N 437.504 0.922 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1723951722 CTFOOSZXLQIDMX-GDBMZVCRSA-N 439.586 0.880 30 10 ICEE CCc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727569540 KAKWCRCEGFLGLS-ISLYRVAYSA-N 427.509 0.816 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740628388 XHMGCNQZOKJGLV-UWVAXJGDSA-N 438.550 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cc[nH]n2)CC1 1740704273 KYOPHRBLSTWQBI-UHFFFAOYSA-N 447.503 0.459 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740983011 ZONRVOJPTMAUIB-GVDBMIGSSA-N 425.555 0.845 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1740986519 ZLMDVMKRDJDXLV-LJQANCHMSA-N 439.538 0.111 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740988672 MLIFTOPSUNVAHZ-IBGZPJMESA-N 442.545 0.938 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1748571759 GTLNETACHQWBGV-GOSISDBHSA-N 438.485 0.953 30 10 ICEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749448047 SOZHRVWDCOBKJI-KRWDZBQOSA-N 440.504 0.693 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)CC 1760173024 HFOWKXCOHAIKHR-UHFFFAOYSA-N 439.563 0.700 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)CC1 1760270584 ZQDLQCKMCYPXHU-MRXNPFEDSA-N 431.518 0.787 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)[C@H]1CC 1760527669 FDSBYGPFMOSRKV-OAHLLOKOSA-N 428.493 0.883 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1771189662 XBHYIHVIBCBRRQ-RKVPGOIHSA-N 444.533 0.868 30 10 ICEE C=CCN1C[C@H](C(=O)N2c3ccccc3S(=O)(=O)NC23CCN(C(C)=O)CC3)CC1=O 1851048243 MMNBPTVSRHTOLY-MRXNPFEDSA-N 446.529 0.685 30 10 ICEE COc1cc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)ccc1O 101443438 LXFSSCMDIJZZIG-IUODEOHRSA-N 438.444 0.410 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 505701760 ZLIPUPDQKCDOLN-UHFFFAOYSA-N 430.493 0.594 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncnn1CC(F)F 508825628 KTGBREUMNPCPAH-GFCCVEGCSA-N 446.484 0.290 30 10 ICEE N#Cc1cc(N2CCN(CCCO)CC2)cc(N2CCN(CCCO)CC2)c1[N+](=O)[O-] 534602762 MAXVDNKRAMEPTK-UHFFFAOYSA-N 432.525 0.475 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cnn(C)c2)c1 918433650 GBGCAIVYHLDGDW-HAVVHWLPSA-N 432.506 0.530 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286392395 BPXHBNKTYZNKLR-DLBZAZTESA-N 435.550 0.596 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286496133 NZYHROKTJDIUHJ-RLFYNMQTSA-N 443.595 0.639 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286792014 KBUHHARPPPJSPE-KRWDZBQOSA-N 435.488 0.842 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1288524301 BRPOQYJIRWPHOJ-CABCVRRESA-N 441.558 0.218 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCNC2=S)c1 1291629169 RVLAXUUYEMIMEV-QNGOZBTKSA-N 437.547 0.935 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1300483492 KKZUNQXBGLORBP-AWEZNQCLSA-N 431.584 0.142 30 10 ICEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CC2)nc1 1302992261 VGVUZXARKGIWKE-GOSISDBHSA-N 427.509 0.774 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CCS(=O)CC1 1316567883 RHSCQLIXSRWCEN-VHEBQXMUSA-N 441.517 0.359 30 10 ICEE C#CCN(c1nnc(CC)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358963414 HJWUZHUGIADLRR-KRWDZBQOSA-N 445.545 0.993 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1504888652 XEFDXZVCGVSGOT-LSDHHAIUSA-N 438.554 0.461 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1507617610 XARHPNITHWHVLM-KRWDZBQOSA-N 437.497 0.899 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1507694695 QOBMNMXTYPOHLS-UHFFFAOYSA-N 430.534 0.839 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507718084 AVVMXRYWYQCGJH-FGZHOGPDSA-N 430.553 0.552 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1508079436 VOLLHNWBZDILEF-UHFFFAOYSA-N 436.520 0.377 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1539013808 JXSIIACPNVLFJJ-IXDOHACOSA-N 426.587 0.799 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1 1539669344 OYTAVJDKYWXKRS-INIZCTEOSA-N 438.558 0.695 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1558329424 PXXWWXIGBZXIKL-BQFCYCMXSA-N 425.938 0.678 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1568701214 ISTSKYVVDZKROD-UHFFFAOYSA-N 447.967 0.591 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)s1 1570654412 PHRTZCGXMDNDDC-UHFFFAOYSA-N 449.558 0.598 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1587879605 XIOTVFQROVODEE-UHFFFAOYSA-N 427.553 0.558 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1588055594 XYLLDJVBZMJYGJ-UONOGXRCSA-N 427.477 0.901 30 10 ICEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595399409 YEUBRDNDXZHVOO-MRXNPFEDSA-N 435.554 0.911 30 10 ICEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1617856118 RXCJGABOXIXEJI-UHFFFAOYSA-N 428.470 0.969 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 1633257325 LCPAWHZXUGWCAV-INIZCTEOSA-N 437.497 0.116 30 10 ICEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC 1649638887 MYDDJXZOJKPZIZ-ZWKOTPCHSA-N 437.504 0.779 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1683072734 AWCBAJVQUIUUQI-NVXWUHKLSA-N 430.509 0.984 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689996615 KRPJGEBGPIAXGP-DLBZAZTESA-N 435.550 0.454 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Br)cn2)CC1 1690110427 LXWMNDZOMGDEHB-UHFFFAOYSA-N 449.357 0.831 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCSC2)CC1 1690375941 YAPWERUEMUHYST-QAPCUYQASA-N 443.595 0.635 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)NCc2ccco2)CC1 1705652609 GWXPXXLNXWASKC-UHFFFAOYSA-N 428.493 0.690 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1705909437 XKYBXTWEUXCEMS-JTSKRJEESA-N 448.568 0.973 30 10 ICEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CC(=O)N1C 1708234403 MVECEAQKCQBFFV-QGZVFWFLSA-N 441.536 0.974 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722337369 YCAKVMCAFLOVGZ-SFHVURJKSA-N 427.553 0.777 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722529162 PPFWBNDRCYOWQT-KSSFIOAISA-N 428.559 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722690530 KGPLIMAVDRKHFA-UKRRQHHQSA-N 436.542 0.266 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722696512 AUHKWEMDMBBXDL-MRXNPFEDSA-N 447.565 0.716 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1740952028 SCUMEZSEWODSLK-OAHLLOKOSA-N 439.586 0.255 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1748857846 GGSYDMBHJYZMMX-SFHVURJKSA-N 428.518 0.322 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749665717 ANDAWMYRCBCFLT-UHFFFAOYSA-N 433.538 0.469 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760440510 LLVCOISGAYVMLH-IAGOWNOFSA-N 437.566 0.974 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)n1 1851401106 XSRBYSOMDXLJHH-GOSISDBHSA-N 444.492 0.989 30 10 ICEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N(CCO)CCO 1869929118 ABATZBXQMOKTRB-KRWDZBQOSA-N 435.477 0.289 30 10 ICEE C#CC[C@H]1NC(=O)[C@@H]2C[C@H](CN2C2CCOCC2)NC(=O)Cc2ccccc2CNC1=O 2080412453 BQIJLRNMQXBRGK-NRSPTQNISA-N 438.528 0.105 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)/C(=C(/N)O)C(=O)[C@H](N(C)C)[C@H]1C2 100374628 JGRMIMMCZBOWCW-RWTGTYNTSA-N 426.425 0.456 30 10 ICEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555220245 UYKMKDMENVWUBQ-UHFFFAOYSA-N 442.568 0.697 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 590928012 DCBKZOXFJLZSJJ-UHFFFAOYSA-N 444.532 0.410 30 10 ICEE CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 735200866 NJQOIBDEKKIFLU-ZFBDIBLVSA-N 428.536 0.323 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2nnnn2C)C1=O 771539167 BUOOTCGYNWHDPG-OAHLLOKOSA-N 448.528 0.591 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 774234314 HAZWQJXMKSCGJG-KDOFPFPSSA-N 435.502 0.641 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 783031425 ZKTQRPJVYSSMRW-INIZCTEOSA-N 440.533 0.391 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 802289162 GWRJTRDAFNHDFI-UHFFFAOYSA-N 425.532 0.238 30 10 ICEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 809889706 JNGLCPJXRRJFJL-LSDHHAIUSA-N 433.513 0.986 30 10 ICEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 918755545 CHZZPCVLELQGTB-HNNXBMFYSA-N 428.507 0.873 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1146351203 SHZRORWBRMIYCB-SNVBAGLBSA-N 427.426 0.318 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286388964 DECJNFGTIAMSKQ-QGZVFWFLSA-N 445.545 0.817 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1286465849 BVULNELVBKZUGR-CQSZACIVSA-N 437.488 0.760 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1cnn(C)c1 1296266232 ZYPWILWWFNEFNS-MISYRCLQSA-N 433.472 0.499 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1302496733 ZLJLZCQGICLMKE-HOTGVXAUSA-N 446.489 0.870 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)CC1 1302923984 HBGMCKSJTNQQLA-JKSUJKDBSA-N 428.555 0.634 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCC)CC1 1358928100 SDKTZLSNGLZTCK-UHFFFAOYSA-N 427.509 0.677 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1358948544 FEACOQXWBSROFK-XLIONFOSSA-N 433.534 0.588 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358956371 DXNBLPKPHJGMNR-QKLQHJQFSA-N 440.566 0.980 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1359342710 DDLDNUOKGFACCX-GJZGRUSLSA-N 431.584 0.755 30 10 ICEE COc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c(OC)c1 1439793455 CXVAQMYYUFJTDS-PJSUUKDQSA-N 433.486 0.453 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507642710 ZHIBCTYFUPNLQL-JOCHJYFZSA-N 429.521 0.640 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507722868 MDYGVWCBDAKWDL-UHFFFAOYSA-N 443.573 0.948 30 10 ICEE COC[C@@]1(CN(C)C)COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536592933 BPNWQBGAQGRZPZ-GCJKJVERSA-N 443.504 0.569 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539090211 ZSXCHTGNFAPCLK-GOSISDBHSA-N 449.515 0.708 30 10 ICEE CC(C)(C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccc(C#N)cc1 1542125380 SGTQKYBHUPZSNZ-KRWDZBQOSA-N 439.559 0.497 30 10 ICEE C#CC[C@@]1(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1542545566 MCJCNADJDLSZNT-BEFAXECRSA-N 428.555 0.811 30 10 ICEE Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543203758 NEFUAOIMKZAJIO-VHEBQXMUSA-N 443.508 0.188 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)s1 1556961775 JOJVOGCEFREQJJ-KBPBESRZSA-N 434.561 0.169 30 10 ICEE C#CCN1CCN(C(=O)CN[C@@H](CO)c2ccccc2I)CC1 1560211390 GWTSVGNBXBQLCU-INIZCTEOSA-N 427.286 0.692 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 1563459071 JYHRUOQNBJQDKC-KRWDZBQOSA-N 427.596 0.926 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588068852 ASGHKKUOKFMILR-SFHVURJKSA-N 448.593 0.513 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)CC1 1588811281 FBYQQXVMEPNZFJ-QGZVFWFLSA-N 436.582 0.098 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1595475193 BMNVTCFFVKSRIP-AWEZNQCLSA-N 426.543 0.197 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1595594293 MVPZNKJHXYPXHJ-KRWDZBQOSA-N 442.520 0.689 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595766640 VHAYFMICYTVXMX-MRXNPFEDSA-N 446.533 0.768 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1629130320 MHGHXBSMQFYFTC-UHFFFAOYSA-N 428.489 0.745 30 10 ICEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1641521464 PNSNDPNZFSGPOF-YVEFUNNKSA-N 439.266 0.713 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2ccc(OC)c(OCC)c2)CC1 1679101411 VSXJKKIZNGARDK-UHFFFAOYSA-N 438.550 0.821 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689892959 QNGSOALBZYIDAE-HNNXBMFYSA-N 448.549 0.504 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1690077642 SVWXMPUGUSDEBX-MSOLQXFVSA-N 438.598 0.802 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690660200 BINAAWAVUVMOKO-GJZGRUSLSA-N 440.570 0.322 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1693546416 FGSCITGJGIWPHO-CQSZACIVSA-N 431.522 0.423 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705559024 OOPVNNRLXOZHOT-INIZCTEOSA-N 433.538 0.019 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1728519028 BWAXVVZXPULDHB-HXUWFJFHSA-N 432.550 0.754 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nncn2CC)c1 1740562487 KGFLPVZUAGWXEH-QGZVFWFLSA-N 447.503 0.945 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1740581489 YZZLPAAYDDIUKJ-HNNXBMFYSA-N 437.570 0.686 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740623864 BYDLKGSRTWCOES-LPHOPBHVSA-N 436.559 0.709 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1749488388 JOGRLAGTXBRKDL-IRXDYDNUSA-N 426.587 0.965 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C(=O)NC)CC1 1760270174 SWDFKEFXGHPXRF-KRWDZBQOSA-N 430.553 0.910 30 10 ICEE CNC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769351368 SMDKWIZDXVFHAW-HTXNQAPBSA-N 442.524 0.924 30 10 ICEE COCCO[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C#N)o1 1771164948 OLJDPCHYTIFNGV-HNNXBMFYSA-N 432.481 0.810 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2=O)CC1=O 1853849158 UBJDRSXJZAKFRQ-HNNXBMFYSA-N 435.502 0.398 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593634 KSGFQZHZZBEOOB-BZSNNMDCSA-N 445.516 0.359 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N=c1[nH]cc(C#N)cc1C)NC(=O)OCc1ccccc1 2286042304 BWKLNMSOVKPSEO-MRXNPFEDSA-N 432.458 0.893 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480940135 ZRFKTXWJZZTGIH-OAHLLOKOSA-N 429.498 0.633 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 513529590 YSOPIAARDGXSLU-UHFFFAOYSA-N 440.547 0.565 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 560863353 IHJCROWGZOTKPW-UHFFFAOYSA-N 436.534 0.004 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 598930216 IBCANWVTBIDFEM-UHFFFAOYSA-N 448.527 0.864 30 10 ICEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735223731 GMLZSMDERJCGDO-KRWDZBQOSA-N 449.533 0.551 30 10 ICEE C#CCN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 749281800 WZYJCHPMBCTQIS-APWZRJJASA-N 431.514 0.491 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)OC)CCCN(Cc3ccccc3)C2)C1=O 755613749 NNTBFDZFMOBGQI-QFIPXVFZSA-N 442.472 0.287 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(OC)cc(OC)cc2OC)CC1 777952513 FPXVMSFBEQYKQK-UHFFFAOYSA-N 425.507 0.158 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 781660781 GVKXDKBDKAAVLM-UHFFFAOYSA-N 449.536 0.908 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1286592546 KKCREUFNMRYDJQ-QGZVFWFLSA-N 440.570 0.634 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNS(=O)(=O)CC 1293097229 CCQOCTASLDZEIM-UHFFFAOYSA-N 435.558 0.020 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC=CCO2)CC1 1300711218 TVZXXSWXTITEGQ-GOSISDBHSA-N 426.521 0.825 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1301587628 WEADOKVPJKEZQM-OAHLLOKOSA-N 438.579 0.949 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc(CNC(=O)OC(C)(C)C)cc2C)CC1 1302923924 FIHLFIIHZINDRH-UHFFFAOYSA-N 440.522 0.838 30 10 ICEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1313179735 XGFATCSXWRMIQW-QKNQBKEWSA-N 432.546 0.776 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(OC)c1 1358981752 WCKGWEBYNKKANM-UHFFFAOYSA-N 434.500 0.912 30 10 ICEE Cn1c(=O)c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2n(C)c1=O 1456027573 ADNSCMLSNXGYCG-UHFFFAOYSA-N 426.454 0.662 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCOC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1497114696 XAYDFTKBGBLOPC-UFOSLELVSA-N 445.524 0.948 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO2)n1 1507717591 WJYOBFIOPAVIBU-ROUUACIJSA-N 427.509 0.891 30 10 ICEE CO[C@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCS(=O)(=O)C1 1527274035 MGXCAPWGGMFZMH-JFPYRBRCSA-N 429.520 0.642 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539221895 SFBIZAQFCLQRKH-SJLPKXTDSA-N 443.529 0.935 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539827955 CBPABLTYQUAFSL-HUUCEWRRSA-N 446.599 0.469 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540869013 ZFPGCERNHREJTB-UHFFFAOYSA-N 439.524 0.764 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1540871638 QBIBRZWTALOCAP-LSDHHAIUSA-N 426.543 0.150 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1555817482 CIJFWTSBLYTRAT-HZPDHXFCSA-N 429.506 0.081 30 10 ICEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1562523308 GKXLWULNDRVWFL-KRWDZBQOSA-N 449.577 0.993 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588035604 VWHYMNGFEVABBS-RDJZCZTQSA-N 436.538 0.411 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1588054700 PNNMWSGQCXQPAK-DLBZAZTESA-N 433.538 0.828 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(C)(=O)=O 1589163921 OGEWKHWTDOFAST-RTBURBONSA-N 425.555 0.860 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1611301992 DEXWQPCQKPSXIU-ZDUSSCGKSA-N 444.521 0.480 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1612877879 HDWQELSACQAHSK-AOMYARPXSA-N 436.476 0.533 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1619912355 AHMIHFHNKRWLMX-MRXNPFEDSA-N 434.522 0.999 30 10 ICEE N#C[C@@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1640690913 GENCKQYECANELI-JTQLQIEISA-N 436.259 0.223 30 10 ICEE N#Cc1cn(C2CN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)C2)c(=O)nc1O 1648028682 KDCIDKCUWBXJBX-PMERELPUSA-N 430.442 0.173 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1705552525 ZHYAWHLRUGVEHP-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705647874 NXGQRFVSKPYXAX-INIZCTEOSA-N 427.509 0.500 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 1705651885 KGSNGPNUGVDIKW-UONOGXRCSA-N 428.584 0.347 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1705934105 BESAQDCSNPHFGN-HNNXBMFYSA-N 438.554 0.135 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722333497 WMFSZFHWZIRKMZ-OAHLLOKOSA-N 443.595 0.454 30 10 ICEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N1CCOCC1 1722343493 HEVGKHUNUBYDMB-UHFFFAOYSA-N 445.549 0.475 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1722446260 CGCACYTVUBVTQS-UHFFFAOYSA-N 449.515 0.804 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722694252 PFFFXOSECNZVOW-QGZVFWFLSA-N 441.536 0.892 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1731008335 MIVOPXJNCBTBAW-CQSZACIVSA-N 440.913 0.783 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1748671991 PAFCPSADERUSHJ-HZPDHXFCSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748820438 BSTSWPCUUAGANL-AWEZNQCLSA-N 449.562 0.235 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749683290 OLEZSHMOVJOPHN-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1760249960 VOLYLCXTNKWIRA-BRWVUGGUSA-N 441.554 0.122 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(=O)n(C)n(C)c4c3)CC2)CC1 1889472698 RCUHTQOGPBVFLW-UHFFFAOYSA-N 439.560 0.749 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598255 VZHATQKWOBJTOD-UHFFFAOYSA-N 436.318 0.811 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255873066 AVULVJJELAIVHZ-CYBMUJFWSA-N 436.318 0.733 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 2267113048 OVNYMCKXSKXBHN-LLVKDONJSA-N 445.251 0.645 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286038703 JXGMKBBTKNKUTF-IAGOWNOFSA-N 436.490 0.368 30 10 ICEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286043115 VMURJRIBJDILJL-ROUUACIJSA-N 438.502 0.898 30 10 ICEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469964113 QLYOGJGFOMEIJW-KSSFIOAISA-N 430.486 0.911 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 522872306 OTSZOJVPRZMVRZ-UHFFFAOYSA-N 429.521 0.919 30 10 ICEE Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585479806 LGGLBKLUBVDIKL-UHFFFAOYSA-N 441.561 0.919 30 10 ICEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 670206940 REDAFZMRCWCJCK-SFHVURJKSA-N 435.532 0.954 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCN1C1CC1 732707207 VRMHYXNTKPYAEA-LJQANCHMSA-N 440.504 0.095 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 737305000 DSZQZZFLKATZDR-HLAUDOPJSA-N 446.435 0.965 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1C1CC1 781657431 LEFLMSURGWLVLY-UHFFFAOYSA-N 428.514 0.531 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(C2CS(=O)(=O)C2)C1 1141254938 LUHJWQWEHHYGQC-UHFFFAOYSA-N 439.559 0.789 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 1144025446 DNUSCQVULWZWQD-UHFFFAOYSA-N 445.321 0.927 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC 1286298228 HHZQBKQVWYMDGA-HNNXBMFYSA-N 432.554 0.459 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286507700 BTQZNBPVMMFZIV-MGPQQGTHSA-N 426.520 0.661 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286781282 PYXQCCRYLAPGEY-QVKFZJNVSA-N 434.541 0.883 30 10 ICEE CN(C)S(=O)(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1297740451 PXTWOOBQZNUSSE-LBPRGKRZSA-N 445.416 0.675 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1300312200 YBKMCCXJSTZREM-OLZOCXBDSA-N 439.460 0.995 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300485333 YWUHUVZKCNEQDB-UWVAXJGDSA-N 438.550 0.736 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1301223635 ZWEARCXQVHXSAZ-IRXDYDNUSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1301499744 FCYYUXDOEWSYDN-PMPSAXMXSA-N 440.570 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301596068 GTYBBCBBHMJFOZ-OAHLLOKOSA-N 447.583 0.202 30 10 ICEE CC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1N1CCOCC1 1306396639 JAJNBLTWEQUSLW-NNGLLJABSA-N 429.525 0.660 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1358889442 BTWYCCMFJGEUAF-QZWWFDLISA-N 425.555 0.742 30 10 ICEE CS(=O)(=O)N1CC[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1435566796 OOIANSDMGSRWJG-HOCLYGCPSA-N 433.490 0.161 30 10 ICEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1444640439 NNNFDCRDKSJSTE-SFHVURJKSA-N 432.546 0.165 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1465872434 NBVPDXWGNANOEY-HNNXBMFYSA-N 446.485 0.208 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1507630857 IXZCDYNSLAIFGN-CQSZACIVSA-N 427.494 0.031 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N(C)C)CC1 1507741238 YCAIRSVDXYDKJO-UHFFFAOYSA-N 440.552 0.584 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508400398 FPDBGOZDJUBIML-NVXWUHKLSA-N 439.524 0.685 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539094317 NYFWLEYDLFCKHZ-IXDOHACOSA-N 426.587 0.847 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1539216523 UANZDQKCUZAWEK-QGZVFWFLSA-N 433.534 0.674 30 10 ICEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1544727850 DNNPEUSMYQQYOB-WUTVXBCWSA-N 444.506 0.069 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1545601993 VEPRAOCOWAOEKJ-MRXNPFEDSA-N 431.555 0.804 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1595550333 COOATWWXDMHOQT-WMLDXEAASA-N 426.477 0.808 30 10 ICEE C#CCN(CC(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1)C(=O)OC(C)(C)C 1616587921 NJWRUBKYONZKPC-UHFFFAOYSA-N 430.509 0.711 30 10 ICEE N#Cc1cn(CC(=O)NCCN=[S@@](=O)(c2ccccc2)C(F)(F)F)c(=O)nc1O 1643428679 NMFJPZPPEPRITC-GDLZYMKVSA-N 429.380 0.984 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1 1643723580 CGOCJLWASLPMMB-UHFFFAOYSA-N 427.486 0.678 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)s1 1644140640 VZTDWMVHAZDUJE-CQSZACIVSA-N 428.532 0.793 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 1681226070 BSYMSNMVKBIVGK-SUNYJGFJSA-N 428.511 0.345 30 10 ICEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1683130587 MEBVXCVSZXPFBI-MRXNPFEDSA-N 434.518 0.626 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1690047655 WEGJZGSUYBOCFW-IBGZPJMESA-N 443.529 0.828 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1690658946 FDXXLADOHFIEKU-UHFFFAOYSA-N 440.508 0.532 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565119 GCBZFSPQVRBPMV-DLBZAZTESA-N 436.582 0.586 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)CC1 1705633569 SZWPDOOUADRNHE-AWEZNQCLSA-N 438.504 0.970 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705902293 BAICEUZRZKRLTF-INIZCTEOSA-N 425.493 0.442 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705930470 OBKJSWXZWVGNIK-HNNXBMFYSA-N 433.600 0.864 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C[C@H]1O 1711460421 FNUSKAHAJLGZGE-CBGDNZLLSA-N 427.461 0.328 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1712884006 DRLJKXBZZHDLCF-FUHWJXTLSA-N 426.477 0.813 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1722427653 XEBISEZRKODEKA-OAHLLOKOSA-N 445.611 0.839 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1722452662 ISTGOIVQYCRGLN-MRXNPFEDSA-N 427.534 0.813 30 10 ICEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722542040 XMUVRADRHLNCKE-UHFFFAOYSA-N 449.943 0.538 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722692388 KNBPXLXDDFUHIS-MRXNPFEDSA-N 446.556 0.301 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCS2(=O)=O)C1 1722720920 OYRXQMIHNZYDGO-MRXNPFEDSA-N 438.554 0.217 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCOC1 1730847880 YEEXKZPYWYUCOJ-SPLOXXLWSA-N 444.492 0.688 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)OC)CC1 1740705839 NETQLPWIPBZGNH-INIZCTEOSA-N 437.566 0.571 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740881093 XBBKUGXQUWXRNP-OAQYLSRUSA-N 447.540 0.824 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1748206832 GWPFIRQYUWQKRI-MOPGFXCFSA-N 440.504 0.964 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748812393 VAEAWEYTJGPOCH-JMGYQRAPSA-N 436.563 0.216 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748824736 SGHDFXRXEGAUHA-PFRQMTDMSA-N 440.566 0.790 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748960388 JNEGABXOFZGPJG-LSDHHAIUSA-N 444.458 0.578 30 10 ICEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1750219071 FEXCWPYBJHAFTE-HFAJPBBRSA-N 429.543 0.923 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760097582 HHOOFWHPOVMNLO-ZIAGYGMSSA-N 430.534 0.680 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1760184173 WJRZRVRHJUFGED-LSDHHAIUSA-N 433.538 0.571 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1760324655 LYBCZRPQZKBKIV-UWJYYQICSA-N 446.552 0.677 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760366051 PBZISORIKBLILJ-SNPRPXQTSA-N 432.978 0.798 30 10 ICEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(Cc2cnnn2-c2ccccc2)CC1 1853543087 NSWZWAVLNVRFNK-UHFFFAOYSA-N 436.520 0.977 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(C(=O)NC)c3)CC2)CC1 1889545084 UAEMPFZZOLPEHQ-UHFFFAOYSA-N 427.549 0.703 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCCO)Cc1ccccc1 2247875829 CYFOUWHVYYVAGX-UHFFFAOYSA-N 436.343 0.688 30 10 ICEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267269091 BXFSUGFELYISEJ-GHMZBOCLSA-N 445.251 0.786 30 10 ICEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 497643010 NNXZJCNMSFDIRE-UHFFFAOYSA-N 441.532 0.601 30 10 ICEE CC(C)OC(=O)[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518833901 COXBZSPZMBZHSH-SFHVURJKSA-N 448.545 0.807 30 10 ICEE Cc1nnc2n1C[C@H](CNC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 522664815 DLFCMDWYGQXRKO-INIZCTEOSA-N 443.533 0.737 30 10 ICEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)C1 760321785 KACYHGWLSSHHMO-KGLIPLIRSA-N 434.522 0.962 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2CN(S(C)(=O)=O)C2)C1=O 777464041 MGWOBDXTKRSVGP-OAHLLOKOSA-N 435.531 0.517 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@@H](C)C1 784906954 LMEONGWJSYBUSP-RJHYDAJSSA-N 449.533 0.517 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 793982726 KFTRTLRLOUBDCL-HXUWFJFHSA-N 431.493 0.107 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 803699530 GPNFXNGCQMDCEA-UHFFFAOYSA-N 447.469 0.634 30 10 ICEE C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 810783962 MJFYRBIVWVFDQP-UHFFFAOYSA-N 443.547 0.104 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286395048 LDAGAARVZGCLTG-GOSISDBHSA-N 442.549 0.548 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1300602022 NNVYSSABMXLZLB-CVEARBPZSA-N 435.554 0.748 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300972499 MLSMTEMYSXLUJJ-CABCVRRESA-N 441.558 0.037 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C 1301401618 CPQSZOROHXIAMZ-TXPKVOOTSA-N 441.554 0.329 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1312485105 HJXXTMPUGLYZQC-KRWDZBQOSA-N 434.522 0.281 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1316270440 XKUNTLPZHOFWDF-PMPSAXMXSA-N 441.554 0.538 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1358994062 CWSIVQOEQCSDSB-QZTJIDSGSA-N 433.534 0.767 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359121872 LYFDHJDOHXKJNA-HNNXBMFYSA-N 426.543 0.279 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359215593 FWKRTBSYJDAWNN-GJZGRUSLSA-N 426.543 0.244 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359221767 MQGCPCURVSIJPJ-INIZCTEOSA-N 447.540 0.776 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1359271816 DWSNRIVBAJWKSS-VQIMIIECSA-N 425.555 0.950 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1CCOC1 1360707845 LSWNQAIBLKDPRL-UXLLHSPISA-N 437.570 0.491 30 10 ICEE C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1475515441 SHPCXINTGKRSCY-SFHVURJKSA-N 442.559 0.723 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1503276441 ARSOQDOBJRKBKY-KBPBESRZSA-N 432.572 0.105 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1507616095 FTZLRBIMILAEAV-SFHVURJKSA-N 447.561 0.956 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632497 MDFQKIJYWDOJES-RCCFBDPRSA-N 437.566 0.129 30 10 ICEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1516127599 BDJQSKIHOWDGGI-FRQCXROJSA-N 440.570 0.808 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1517628426 SOBOIVZPPQXALG-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1519246336 DJQXIPBJVSNLOC-LSDHHAIUSA-N 429.543 0.680 30 10 ICEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539722803 SIPCRYKPJVCRSN-IRXDYDNUSA-N 434.541 0.751 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1542483337 PRRLKDPXSNKHTF-GOSISDBHSA-N 449.533 0.956 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511870 YYDFPBXQBLBTHC-LSOMNZGLSA-N 427.523 0.846 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1588128784 SLYZTMFOURGMSK-NRFANRHFSA-N 446.559 0.909 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593908953 TZEAJELXQFDMIU-LJQANCHMSA-N 435.916 0.968 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1595805836 VPKRCCQXUPXVLD-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)N4CCOCC4)[C@H]3S2)cc(OC)c1 1616175342 VCKWYDDAGHGCQZ-YYWYGQEZSA-N 437.518 0.365 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1620154998 LEIXDBLOYORJRZ-RCCFBDPRSA-N 431.518 0.980 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CCS2 1684581558 WYEWTUINZNJHJV-XWYVEIJYSA-N 427.548 0.784 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)COCCO2)CC1 1690113946 YOBSQMXIOISZMD-FGZHOGPDSA-N 433.553 0.879 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696654182 SPNOBOQCTWRABD-ZCXUNETKSA-N 445.524 0.397 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1705582521 CQAFKZVNVSLRSJ-APWZRJJASA-N 437.591 0.970 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1705632060 GYNOPEULZRAXHA-UHFFFAOYSA-N 439.520 0.084 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1705901890 ZFUQCUPYMHABMN-OAHLLOKOSA-N 447.446 0.885 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@]2(CCOC2)C1 1705936563 TWDBTHBLQPZRJA-QFBILLFUSA-N 426.539 0.769 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1705947034 YFKOIDCYKUTDAG-AWEZNQCLSA-N 449.624 0.181 30 10 ICEE CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710701783 CIEHNXNBGMQFPC-STGLLQLASA-N 431.497 0.303 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1722699090 RGRAMJPLCWCNST-XHSDSOJGSA-N 440.570 0.396 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740615613 HVXYITNQLAXAIO-IRXDYDNUSA-N 435.550 0.567 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1748634279 DEYBZNBGWWZSRA-CQSZACIVSA-N 435.510 0.080 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1748922778 LUBNAECECWHWLA-UHFFFAOYSA-N 443.533 0.591 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748960387 JNEGABXOFZGPJG-HUUCEWRRSA-N 444.458 0.578 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1749130559 MDRXLBUFJWQSOA-JYJNAYRXSA-N 446.595 0.642 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1749230560 ZGMKXJDRNSTUKN-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749660397 OJJNRQFFXCPXMS-PBHICJAKSA-N 440.504 0.979 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749954902 RCRUIWLOEHVHJE-VKJFTORMSA-N 444.533 0.726 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1760118164 ZGFONKLYZODCMJ-YOEHRIQHSA-N 435.554 0.733 30 10 ICEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760136371 VDYBOFRUYKXAGE-UHFFFAOYSA-N 426.525 0.655 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760184718 YCYHCIMCMQZJFF-CHWSQXEVSA-N 435.959 0.268 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760351846 LDZWKWCAXOLSFX-HNNXBMFYSA-N 426.481 0.732 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1760495492 PKCJMEPQGVGYSM-QGZVFWFLSA-N 435.554 0.995 30 10 ICEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C(=O)C2)C1 1856865707 AYQKQVJZMSUJDF-ROUUACIJSA-N 438.594 0.512 30 10 ICEE O=C([C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCN(CCO)CC1 1869930081 SQDIMXXXFSPTJT-LJQANCHMSA-N 428.514 0.603 30 10 ICEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561108 ZNWVLNCLLBBVSF-UHFFFAOYSA-N 432.521 0.467 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)CC1 1890540658 KCSZVKMISPTQDA-INIZCTEOSA-N 440.529 0.960 30 10 ICEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)COC1 2255627636 WIVWGXPWBHBYOZ-UHFFFAOYSA-N 436.318 0.980 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255700163 YQIAYZLHHFBGIE-VHSXEESVSA-N 429.208 0.102 30 10 ICEE C[C@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284398493 YRYRKXWAXKVEIS-OIBJUYFYSA-N 425.721 0.813 30 10 ICEE C#CCN(C1CCNCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286019880 DNIBJKFYOVCVAI-SFHVURJKSA-N 437.518 0.471 30 10 ICEE C=C[C@]1(CO)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286043240 ZZKXIOAOZKXDDA-APWZRJJASA-N 442.490 0.034 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482549295 AOBHZSBWPSRSAN-CYBMUJFWSA-N 444.538 0.288 30 10 ICEE Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c(=O)n2C 499438836 BGMIAVOXZIFENY-GFCCVEGCSA-N 431.250 0.577 30 10 ICEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 675754805 YYUGDINWWNOAAD-UHFFFAOYSA-N 431.539 0.940 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC1 761279951 DLRZVGSMXLQTSV-UHFFFAOYSA-N 434.518 0.099 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc[nH]n1 772654649 BGLTYFBVQPEDKK-MRXNPFEDSA-N 431.424 0.750 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1C1CC1 781658684 TXPRJLDNOJCLQJ-UHFFFAOYSA-N 442.541 0.921 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1 1175514969 LWKLNFHYWUCOJY-INIZCTEOSA-N 434.518 0.050 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc(I)ccc3N)C[C@H]1CS(=O)(=O)C2 1178757434 QCJITDIUQBJXTC-XPTSAGLGSA-N 431.255 0.884 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c(C(=O)OC)cccc23)CC1 1212213593 FTYNAUVCWZHSHN-UHFFFAOYSA-N 429.498 0.682 30 10 ICEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1213515621 ZQYGNJDXGDLHSE-UHFFFAOYSA-N 442.559 0.555 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@@H](C)CC 1286447843 NTFVGGHNNUPSHQ-JKSUJKDBSA-N 440.570 0.375 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302506004 LPLFNKMXUMYNIX-MRXNPFEDSA-N 446.537 0.272 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1358972000 PPZQREZSVBFOKZ-IERDGZPVSA-N 428.514 0.961 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC)CC1 1359042681 PODGNQPDTUTFBM-UHFFFAOYSA-N 449.519 0.923 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N1CCOCC1 1359238066 YASGXNLMICLXRG-UHFFFAOYSA-N 433.538 0.719 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1359333262 RWRMLFNVLALCCK-ZNMIVQPWSA-N 432.568 0.395 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1F 1437081116 GBZSWMFWBVKMHI-KRWDZBQOSA-N 432.495 0.320 30 10 ICEE N#C[C@]12CN(C(=O)c3cnc(I)c(O)c3)C[C@H]1CS(=O)(=O)C2 1456610306 AOAMJBSSBJZMJG-TVQRCGJNSA-N 433.227 0.402 30 10 ICEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1503278288 WYMQQNAZMNZNBX-SFHVURJKSA-N 438.533 0.911 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1507538809 OXRSAJITBCJQRX-GOEBONIOSA-N 434.522 0.521 30 10 ICEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507756795 YTFFNHLZPGXLLZ-UHFFFAOYSA-N 446.577 0.104 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507844067 BLNHZXGEWXQQLZ-HOTGVXAUSA-N 438.554 0.329 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507844068 BLNHZXGEWXQQLZ-HZPDHXFCSA-N 438.554 0.329 30 10 ICEE CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509134125 IQXIPLZHVMXQET-FMQUCBEESA-N 445.524 0.298 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1539266360 OXSXPKLXCZNUSP-GOSISDBHSA-N 445.549 0.348 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1539267167 XCRABRKIYZUJRY-INIZCTEOSA-N 430.509 0.748 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539721388 AHHYVMHQQMUYAH-SFHVURJKSA-N 446.552 0.934 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 1561922389 LGLCZRKYMOBWON-UHFFFAOYSA-N 440.522 0.107 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 1563989497 RRJCSCNAXZBHFK-OAHLLOKOSA-N 427.477 0.338 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 1568701239 JUCMHLWELIRAFP-SFHVURJKSA-N 435.322 0.520 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1588265843 IMDYXDYFAOZAFS-QGZVFWFLSA-N 438.598 0.993 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)cc1 1607272478 UZTLHAJRLOWSLU-UHFFFAOYSA-N 434.514 0.909 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCNS(C)(=O)=O)CC2)c1C#N 1612469950 JHWFPTXDTYEQCY-UHFFFAOYSA-N 449.585 0.581 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1615956307 ICLXBYXHFYRLHF-UHFFFAOYSA-N 435.496 0.745 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 1629722291 KEFZZMYYFWREAL-RPLLJCPNSA-N 449.554 0.678 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1636665080 WUUYMWLCXFOGGG-SFHVURJKSA-N 435.546 0.593 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@]1(COC)OCCc2ccccc21)c1cc[nH]n1 1641831539 SZTHFUNFXJNOMM-OAQYLSRUSA-N 430.461 0.924 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 1676064212 ASMOVWBQMADALJ-UHFFFAOYSA-N 442.925 0.449 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1690077030 HDFBAQZAMPZROV-SFHVURJKSA-N 444.561 0.920 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1691003212 DUQIYQGDUXPRHJ-IAGOWNOFSA-N 437.614 0.802 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568754 UTRASHITQOKKMK-QZTJIDSGSA-N 439.582 0.410 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1705597050 VFCHUTKEWXQTJZ-LJQANCHMSA-N 433.516 0.972 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCCC)CC1 1705643669 OJVOCKKPOGZGFJ-UHFFFAOYSA-N 443.552 0.396 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCC2 1705875631 ARQTXTKNLPXBAR-HNNXBMFYSA-N 448.553 0.375 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1705904177 HNUVTBWKNKVLQJ-HZPDHXFCSA-N 440.570 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705935389 PPSGKSQKKOGOLL-UHFFFAOYSA-N 448.549 0.983 30 10 ICEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1706928397 BLEDOGIXDRAOFG-ZIAGYGMSSA-N 438.485 0.835 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(=O)N2)CC1 1722450034 UWRLLEJUPJSQLC-GOSISDBHSA-N 438.536 0.384 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722630176 WXUFKEIYUVGBMK-JKSUJKDBSA-N 425.555 0.865 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1729677233 MDYOQHHLXPUDKK-MBUFOBGISA-N 431.497 0.053 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740792439 INTBTWNYTQNNML-KRWDZBQOSA-N 431.541 0.223 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740963280 GHPKIHHZLZDTRX-ZDUSSCGKSA-N 431.522 0.239 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CCO1 1748223799 WSDIHORHETZKNP-GOSISDBHSA-N 428.493 0.843 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1760175846 SQJATILQWSUWJD-RTBURBONSA-N 447.561 0.938 30 10 ICEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760345781 TXILTQRUESATKR-QGZVFWFLSA-N 432.525 0.603 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771535822 AHZONOPTLUQOOF-MAUKXSAKSA-N 437.909 0.877 30 10 ICEE COCCN(CC(=O)N1CCCC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)S(C)(=O)=O 1855407477 KTVVBNMLYXOHFL-IRXDYDNUSA-N 440.566 0.428 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)c(=O)cc3OC)CC2)CC1 1889350859 GLWPDEMUZRMVCN-UHFFFAOYSA-N 430.549 0.656 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267606119 SRMPLQUAIXEWJO-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c(OC)c1 409570882 SBRJDSRIOZFPAE-MRXNPFEDSA-N 438.506 0.367 30 10 ICEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 442271756 OWXMNDAHPDSZLZ-GOSISDBHSA-N 428.489 0.539 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478745526 KVDJSFFGNPKOHT-MRXNPFEDSA-N 445.545 0.132 30 10 ICEE Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508106012 WFAAAEQWYFEXSS-UHFFFAOYSA-N 425.493 0.247 30 10 ICEE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 616590377 QXSOYPUOFNJBDA-JQOWZUPLSA-N 438.476 0.162 30 10 ICEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 733672783 CCLYLBMZRBJYLC-UHFFFAOYSA-N 448.545 0.776 30 10 ICEE COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1 749048713 XTRLOWJHUMCUOR-UHFFFAOYSA-N 437.518 0.842 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cncc3ccccc23)c1=O 758079786 RFAHXDJDRDODSF-UHFFFAOYSA-N 432.505 0.747 30 10 ICEE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CCCNC(N)=O)(C(=O)O)N[C@H]2c1ccc(C#N)cc1 1088615849 APQGAVYIACDILP-DVSDUFGPSA-N 441.488 0.876 30 10 ICEE N#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1157963517 NJBWPKRDQZUPON-IBGZPJMESA-N 428.514 0.807 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CC1 1217208379 MUJSCPQTRPSFEK-UHFFFAOYSA-N 448.505 0.139 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286821643 RCWAILLWKKPGKZ-IBGZPJMESA-N 446.577 0.790 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@H]1CCCO1 1288826585 TWWUIIMPUKVFOE-HDMKZQKVSA-N 444.533 0.916 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1300663743 IDXBGHTVUCAGEW-GOSISDBHSA-N 439.520 0.595 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC=CCO2)CC1 1300711219 TVZXXSWXTITEGQ-SFHVURJKSA-N 426.521 0.825 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1301501677 ZRGOMMBBFUGZHK-IRXDYDNUSA-N 437.566 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1301589816 XSVWWFOHBILYDH-INIZCTEOSA-N 437.566 0.974 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1301965082 HIHGHYRWMKTQQP-KBPBESRZSA-N 441.583 0.204 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1303488750 FMOAMCNOWCSDPV-OAQYLSRUSA-N 432.525 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1359040485 WUAKQEJFOQFBBZ-MRXNPFEDSA-N 445.568 0.687 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)ccc1F 1453598126 PYPPMXKYOZRRLF-FQEVSTJZSA-N 441.525 0.636 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)C1 1471336102 JMRSGJHOLBNRRI-PMACEKPBSA-N 441.580 0.649 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1492753702 FUIOKSBOQZYJLW-INIZCTEOSA-N 436.542 0.196 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507512316 GJSDOAUMRMDBSY-HUUCEWRRSA-N 431.522 0.665 30 10 ICEE O=C1CS(=O)(=O)C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1538727177 QRVZKBBHIKEQNB-XVMARJQXSA-N 444.300 0.529 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1539179959 UPQAMRZTJQXHNQ-LJQANCHMSA-N 446.577 0.790 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)CC 1539332562 VOYGKDMZKXHBIS-UHFFFAOYSA-N 439.545 0.919 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C#N)CO)CC2)cc1 1556607281 FQBINEIBOLWJOI-KRWDZBQOSA-N 436.534 0.424 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1588054611 OKRQZSXQUVSIJA-HOCLYGCPSA-N 426.564 0.607 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnnn1C 1588218861 FPFKSGKTXRILGW-UHFFFAOYSA-N 427.472 0.832 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncn(C)n2)CC1 1588865347 VEFKERPEABFASQ-UHFFFAOYSA-N 425.522 0.202 30 10 ICEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1593788869 DPXGMCRGSZQFHD-ZWKOTPCHSA-N 445.545 0.845 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595543897 BEMGKUUPNLUGHN-QGZVFWFLSA-N 439.520 0.832 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1613342276 GTEDKIXUPFPMON-LSDHHAIUSA-N 428.584 0.899 30 10 ICEE C=CCN1CC[C@@H](N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O 1616197702 BOCQYDBEBOZMJK-GOSISDBHSA-N 435.550 0.011 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CC1 1620564907 XBMMXHCCAHOLMR-CGXNFDGLSA-N 433.597 0.810 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1632966803 YYTATJPYCOJLJW-XZVRFQMRSA-N 440.566 0.802 30 10 ICEE N#C[C@]12CN(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)C[C@H]1CS(=O)(=O)C2 1634018581 GRRNONYBTOIUSW-MAUKXSAKSA-N 438.531 0.306 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1 1638875765 HOPDENGWYCKDSQ-UHFFFAOYSA-N 430.552 0.152 30 10 ICEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC4(CC3)CC(=O)C=CO4)ccc21 1639092068 JYRXFNQBLSDOJZ-UHFFFAOYSA-N 427.461 0.855 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@H]4COCC[C@@H]43)C2=O)cc1 1642368280 HXKNSPWRURYEHP-IKGGRYGDSA-N 446.485 0.178 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1643372677 WPOAWGTVZHFQHC-UZLBHIALSA-N 440.566 0.635 30 10 ICEE COCCN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1653800970 VOSCEKCKCYMHFC-UHFFFAOYSA-N 426.495 0.127 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1689852975 NLQJLYOHUMVZNA-CVEARBPZSA-N 425.555 0.886 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1690077624 SLRJPEHVSIZKIE-KRWDZBQOSA-N 448.549 0.913 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1690955841 FXBTVGBZPAQJSS-GOSISDBHSA-N 435.492 0.827 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1705662415 YESUNXCRYRFCDO-MRXNPFEDSA-N 439.607 0.994 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722608823 MLMQIBQBVCOXOU-AWEZNQCLSA-N 448.615 0.715 30 10 ICEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)(=O)CC1 1722702547 PIRUZAHPHMXWKH-UHFFFAOYSA-N 428.518 0.818 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740617741 WPFUTMKUVDYBHK-UZLBHIALSA-N 440.566 0.716 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740706255 REDVVAIZEBOWNW-GIMINZRKSA-N 430.553 0.992 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740801452 ALPSDTUNCHJFPL-KBPBESRZSA-N 446.961 0.468 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1740963397 JRYQNPACCADTFK-UHFFFAOYSA-N 426.525 0.820 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748811823 LWRXXGDTQPZLLY-QGZVFWFLSA-N 442.549 0.704 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1748817441 KVHJZZJOHACJRW-FUHWJXTLSA-N 447.536 0.951 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1748863939 LFFROWPIQRRYMZ-KRWDZBQOSA-N 436.582 0.198 30 10 ICEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749450433 GRQOVHNAZKLVPX-HNNXBMFYSA-N 426.481 0.732 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749669490 IFCNFSLYHVRJAM-ZWKOTPCHSA-N 445.568 0.217 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1750059534 ARJGAGUJJYXHKG-VQHPVUNQSA-N 441.602 0.983 30 10 ICEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1751928511 QFWLUGFDTCHHRS-INIZCTEOSA-N 426.456 0.912 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1751981123 CLUMSKAJMNMLOB-HNNXBMFYSA-N 443.533 0.519 30 10 ICEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760136992 DKPLWSFUOCVKQL-FQEVSTJZSA-N 444.580 0.956 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760554106 RKBYDOPHAOFNBO-CVEARBPZSA-N 433.538 0.527 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760698325 GTEGSDJMSVUERJ-ROUUACIJSA-N 444.584 0.939 30 10 ICEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)CC1 1889537747 ODXBSBXUTFWBTR-UHFFFAOYSA-N 437.610 0.848 30 10 ICEE Cc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COC(C)C)cc1 2328607907 UHYHUWPVDKSYKR-MRXNPFEDSA-N 428.493 0.974 30 10 ICEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cc(C)ccc3NC(C)=O)CC2)C(=O)C1=O 64835502 ZSEHEXCMZOYHAZ-UHFFFAOYSA-N 448.545 0.963 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440377412 IMDHZOHOTQIYFS-UHFFFAOYSA-N 434.477 0.938 30 10 ICEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441770120 RLLANUGLTZQALG-UHFFFAOYSA-N 446.393 1.547 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 534403028 QKZJBYBTVKNCFA-MRXNPFEDSA-N 449.479 0.633 30 10 ICEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)o1 555191889 SPCRGPFJWRREGK-UHFFFAOYSA-N 430.509 0.074 30 10 ICEE C#CCN(CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 731213741 QHSJZUCEZXIWNC-NRFANRHFSA-N 445.585 0.849 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765145573 KBKLIJBWWAWPDX-UHFFFAOYSA-N 428.470 0.585 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1cc[nH]n1 799088519 ZHUGDYBHDXJPPC-YOEHRIQHSA-N 427.461 0.999 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccc(O)cc4)n3)n2C)n(C)c1=O 1084063337 RYSXQRWZDNQKQY-UHFFFAOYSA-N 427.450 0.392 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)C1=O 1273246476 DARPEVNXGUSGQV-UHFFFAOYSA-N 441.488 0.702 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1299073089 GRIKQBMDTCYOMP-SFHVURJKSA-N 437.504 0.638 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300806586 ZJSFEEMTNLICMP-CBGDNZLLSA-N 449.577 0.667 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C)C1CC1 1301327860 ZFBMKHSCNUTNSU-KRWDZBQOSA-N 435.554 0.971 30 10 ICEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1301966969 XRJIITSAIBPODG-CABCVRRESA-N 429.543 0.538 30 10 ICEE C#CCN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1311444868 SFLQUHWREHROOF-UHFFFAOYSA-N 434.562 0.745 30 10 ICEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H]1OC 1316330312 HZIAGUHAWGTTBU-CALCHBBNSA-N 434.522 0.606 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1358887556 ZCTQONFVBZODDO-CYBMUJFWSA-N 429.506 0.991 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1359104578 CWHGLOVNEWBAMB-FUHWJXTLSA-N 443.556 0.892 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359222260 DGUFISHTWUJLIH-GJZGRUSLSA-N 444.558 0.758 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1445036180 VAZTZFWUXHPMEK-MRXNPFEDSA-N 440.522 0.955 30 10 ICEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCOCC1 1473807891 BPONIRSKLWDPMN-UHFFFAOYSA-N 447.557 0.884 30 10 ICEE O=C1C=COC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)C1 1473841675 NIJPTSQLOGUWRI-UHFFFAOYSA-N 449.529 0.984 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2OCC)CC1 1475011154 GCWIAUGKISMXJX-UHFFFAOYSA-N 437.518 0.318 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CCO1 1503770124 DBEVFCGODKRUCN-GOSISDBHSA-N 437.504 0.827 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCSC1 1510171715 DNDXUYIGMLGDBO-DYVFJYSZSA-N 428.584 0.886 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cnnn1 1539154093 GTJZJZUAYRAXLM-UHFFFAOYSA-N 429.510 0.342 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539446454 CTYOBFIMDJVZCW-SFHVURJKSA-N 429.546 0.989 30 10 ICEE Cc1cccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1542628476 KPTSBHFWPAMWKY-CZIZESTLSA-N 436.476 0.453 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1587867761 DATKSWWLQOXYNY-OAHLLOKOSA-N 442.515 0.566 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1588985132 OPPVMHGGMNTDTD-GOEBONIOSA-N 442.611 0.559 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1593746903 PIVANGPNQJNZJS-APWZRJJASA-N 426.539 0.769 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1594732504 FKFNLIZRPZCGGI-CABCVRRESA-N 426.543 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1595823720 RXVQMFUZLMRQIT-CQSZACIVSA-N 437.497 0.909 30 10 ICEE C=C[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1597001363 ABDFEJLPDWBIIE-KDOFPFPSSA-N 425.507 0.784 30 10 ICEE N#Cc1cn(CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)c(=O)nc1O 1625957274 HRFDSJHLTYNKGS-CQSZACIVSA-N 432.234 0.283 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2nnnn2CC1 1630220168 LVWAULIMPAOKJF-CQSZACIVSA-N 431.522 0.793 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1635483874 CIVLOLKNSYXTDE-UHFFFAOYSA-N 431.559 0.427 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCCc2cccc(Cl)c2Cl)c(=O)n1CCO 1644183834 PCJVLWLOZXCWBS-UHFFFAOYSA-N 425.272 0.848 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690155088 FNZJIVMNXKIAER-HNNXBMFYSA-N 440.533 0.848 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1=O 1698085095 GLUAVVUUSPRJRA-LJQANCHMSA-N 440.504 0.917 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566157 ZLUJQSIPMRKLGI-KRWDZBQOSA-N 430.534 0.835 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1705583216 SINLYCFEHDJLPU-QGZVFWFLSA-N 431.562 0.902 30 10 ICEE CN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1710987701 CWUGSEXDBDDJGG-FQEVSTJZSA-N 427.488 0.982 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711157432 WTQZQLUBNJVDKF-UHHPSXQGSA-N 443.508 0.513 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1722366327 HQJZOMPEKDOFQK-OAHLLOKOSA-N 426.506 0.452 30 10 ICEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1722625194 PRNSSHIQZQWUJU-UHFFFAOYSA-N 446.508 0.894 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740616216 WFFJUBSZKJZVLC-KRWDZBQOSA-N 445.549 0.346 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748808737 MPMRYVKQVGOWAI-IEBWSBKVSA-N 446.529 0.996 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760190137 OKHQZARYQVVNTA-NQIIRXRSSA-N 435.594 0.704 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1761500212 HHSSFPPVJNDVAU-UKRRQHHQSA-N 448.505 0.437 30 10 ICEE CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1766746983 HBGZSRNQVWRGDX-ZYSBOAIWSA-N 442.549 0.591 30 10 ICEE COCCN(CC(=O)N1CCC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)S(C)(=O)=O 1855007262 BZYLUWWOHCTHCA-HOTGVXAUSA-N 426.539 0.038 30 10 ICEE Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1F 1856838959 WPMOYSZYTVKDKN-KRWDZBQOSA-N 436.509 0.665 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CCCOc3ccccc3)C2)CC1=O 1857381753 TWMFESIVOBNIGQ-QGZVFWFLSA-N 434.518 0.444 30 10 ICEE Cc1nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268634443 YIMYUFFPCLPPEB-ZDUSSCGKSA-N 449.317 0.791 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CCO)COCc2ccccc2)n1 2320425551 ZZOWRHURJXQYKZ-INIZCTEOSA-N 430.314 0.812 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497581351 WMXGTXMJDFBKDD-HNNXBMFYSA-N 448.570 0.591 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 537301827 MKDBMTDHXRNVOR-ZDUSSCGKSA-N 434.478 0.769 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 603796867 CMGQFFJWRLGMEC-UHFFFAOYSA-N 430.555 0.085 30 10 ICEE CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CCN2C1=O 610657960 DUSZXGQYXPYKSE-CYBMUJFWSA-N 427.280 0.978 30 10 ICEE CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748526298 JXMZNSIPHYCLJH-OAHLLOKOSA-N 448.526 0.878 30 10 ICEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cccc(C#N)n3)CC2)c1=S 760552285 PTHPRZLUHIBKSF-HNNXBMFYSA-N 447.590 0.975 30 10 ICEE CCN(CC)CCN1C(=O)C(=NNC2=NC(=O)C(=O)N2)c2cc(Br)ccc21 765596288 VNJVMZWFCUXPTD-UHFFFAOYSA-N 435.282 0.444 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 765880306 GKQPLMWUTYQDDT-NHKNDPDJSA-N 441.488 0.282 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)CC1 812090842 SXJAAGTWKZBSDB-KRWDZBQOSA-N 434.541 0.988 30 10 ICEE C=CCNC(=O)CN1CCN(C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 816483353 PFXUPERJDNLJRX-GOSISDBHSA-N 437.585 0.670 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)C2)C1 1156513627 UHDOEURVMIOIAJ-DEZHIGPLSA-N 431.493 0.974 30 10 ICEE COc1ccc([C@@H]2[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC(=O)N2C)cc1 1159490674 SYAPBLIKVJCMOY-IEBWSBKVSA-N 437.456 0.822 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286407842 SNBRJUNUZNNRCJ-QGZVFWFLSA-N 440.529 0.601 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1ccc(I)cc1-n1cnnn1 1287988779 KYIUNQRZYQCVKP-UHFFFAOYSA-N 440.201 0.796 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC(=O)N1C 1291217515 CWUWQAHMNFIKCN-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)CC 1300647635 HLSSYFOHZNULHU-KRWDZBQOSA-N 448.524 0.947 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCC(C)C)CC1 1300682834 KDYPZQDELYODSN-FXAWDEMLSA-N 440.614 0.831 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300831449 ZCUANCSYTWYVTI-XHDPSFHLSA-N 447.359 0.513 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1301501455 XGVQLETXDAPONN-PMPSAXMXSA-N 438.554 0.292 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)CN(C)C2=O)CC1 1359046085 DHNPGPYMKUZPDH-QHCPKHFHSA-N 435.532 0.708 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2COCCO2)CC1 1359047012 NPJOXBBYZQYHKV-LJQANCHMSA-N 441.536 0.521 30 10 ICEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)s1 1454249875 XOLLFQOMAIXQAY-UHFFFAOYSA-N 447.542 0.857 30 10 ICEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1472602582 BYPSBAHTSPQRQO-HTQZYQBOSA-N 428.326 0.971 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1507627044 CFOVRDLWCTUZKX-KRWDZBQOSA-N 436.501 0.620 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507756280 YTDNEXRBESGELR-AWEZNQCLSA-N 426.568 0.067 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1510110066 DHWDVYWFPIOKBY-CYBMUJFWSA-N 425.536 0.731 30 10 ICEE CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1517596478 CPNPPOCTYMNFOV-INIZCTEOSA-N 440.483 0.703 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1528412360 OGDCBWPHGRLVNG-SFHVURJKSA-N 435.484 0.646 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216703 WCOYDGPYJHWPSF-LBPRGKRZSA-N 444.439 0.578 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCSC2)CC1 1539467534 UKESQGWMLYAUOQ-FQEVSTJZSA-N 434.566 0.250 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1 1558072839 FYTIMUDKQKYAHA-UHFFFAOYSA-N 427.548 0.025 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1587640168 PLOSNQJYCAAHHY-WMLDXEAASA-N 433.538 0.410 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1588029024 CDJMVXYVARSHFB-HIFRSBDPSA-N 429.568 0.315 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064311 FYAPLTLDXOLEED-GOSISDBHSA-N 435.594 0.968 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1588138755 IQUMGRRGMMCGEN-LJQANCHMSA-N 443.529 0.741 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C1 1595674246 OFRCCEWGJVKKON-IXDOHACOSA-N 442.586 0.390 30 10 ICEE CCN1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1615828976 NQGHIBLAZLTFTN-ZZEZOPTASA-N 438.492 0.858 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1631908743 CCVMAVGYBPTUNQ-HIFRSBDPSA-N 442.563 0.434 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1634573778 GGLGZKMIVOMIMB-UHFFFAOYSA-N 441.554 0.348 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689848852 CLIJKUXIZNLLRV-GDBMZVCRSA-N 430.534 0.986 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690669689 MFRFJXGSWGORFJ-INIZCTEOSA-N 428.497 0.150 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1691003194 DODUWERSFAZGMP-GJZGRUSLSA-N 426.543 0.512 30 10 ICEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1692819963 IBXFLLDBVJKVMC-BBRMVZONSA-N 438.485 0.835 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705565492 IOTHXYFONKOYTG-QWHCGFSZSA-N 431.465 0.138 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1706830700 MQIHHGJKLLTWGK-JFVSRZABSA-N 438.554 0.971 30 10 ICEE CN(C)C(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1710988580 CPDTZSZFKWTRRZ-QLFBSQMISA-N 433.513 0.866 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1722396727 KEOIHNUDLUMAPM-IAGOWNOFSA-N 438.575 0.610 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1748684969 RUMYQQUUCIYNQT-AWEZNQCLSA-N 436.563 0.763 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1748690803 YENGFTYTMSJXHM-AUEAKWCZSA-N 428.493 0.986 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749211503 ZHDHYFWKRSMAIP-KBPBESRZSA-N 435.572 0.104 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749669935 MKJPLSFZEIJDOB-KBPBESRZSA-N 431.522 0.874 30 10 ICEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1750219072 FEXCWPYBJHAFTE-JHZPHERASA-N 429.543 0.923 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760180373 CTEKSZWLNKQEPI-YESZJQIVSA-N 426.539 0.665 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1760235699 UYPVKFXBSAPVSF-KRWDZBQOSA-N 433.538 0.412 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC=C)CC1 1760269403 HKPWADKNDIJRNT-KRWDZBQOSA-N 435.550 0.349 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1772887309 RDTJEFWGJVDFEU-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE C=CCN1C[C@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccc(F)cc4)cnc32)CC1=O 1850209811 VHFFBTMEKIRNLD-MRXNPFEDSA-N 438.463 0.931 30 10 ICEE CN(CCC#N)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 1854306343 PICPUWMUDIFIOF-GOSISDBHSA-N 434.518 0.684 30 10 ICEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870520863 BTXIJUJOHYBGNO-UHFFFAOYSA-N 442.520 0.288 30 10 ICEE CC(C)/N=C(\NC(C)C)SCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]12 146504733 QADCFKFWDVDMNO-DOMZBBRYSA-N 430.552 0.213 30 10 ICEE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 443478920 VMFRJLWHIMCXCG-ZDUSSCGKSA-N 429.296 0.336 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 466586520 PWRQXTFUZXZESS-HSALFYBXSA-N 425.533 0.773 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C)CC1 508700152 RSIHEWSIVBYENA-UHFFFAOYSA-N 432.554 0.199 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCNC(=O)C1CCC1 508825431 FDYZMRFXFUEGJQ-INIZCTEOSA-N 440.570 0.540 30 10 ICEE CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 522643736 MNKMNMUTBCCOMS-MRXNPFEDSA-N 440.547 0.109 30 10 ICEE CCc1c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 561100736 MCPYAXMQBVVCBV-AWEZNQCLSA-N 434.456 0.755 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C#N 729669912 WERCTIHRIIHJHC-UHFFFAOYSA-N 426.461 0.667 30 10 ICEE COc1c(F)cc(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1S(N)(=O)=O 801288330 UUQWGRWGKZDBFA-UHFFFAOYSA-N 433.465 0.640 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)c1C#N 1118742856 USYZPZNZMFBVHO-UHFFFAOYSA-N 427.509 0.645 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](O)C1 1152293808 BAXWRHWOGKPADK-DLBZAZTESA-N 437.518 0.960 30 10 ICEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1177113587 CEBFPVIDZHWHCQ-OAHLLOKOSA-N 429.502 0.575 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1286408119 CUKCOPRRUNMWHM-OAHLLOKOSA-N 425.518 0.590 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286789448 DPTZKDMZHVTWCU-UHFFFAOYSA-N 448.531 0.952 30 10 ICEE C#CCN(CC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1)C(=O)OC(C)(C)C 1293163515 DUOUMKHNDHSTIU-UHFFFAOYSA-N 438.506 0.520 30 10 ICEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1301058802 GYIYILSWGKUBIV-UHFFFAOYSA-N 442.611 0.951 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1301298079 YGLHNPQJVCOFSM-INIZCTEOSA-N 434.522 0.380 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301585910 HAOPKSCTGZWUCF-IAGOWNOFSA-N 440.566 0.972 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)s1 1302637507 WQNQPYXYVDRKGV-QGZVFWFLSA-N 427.504 0.675 30 10 ICEE CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1305095425 QPEGKUHHAVGWSV-UHHPSXQGSA-N 448.549 0.943 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1314948446 CCWJWKBAWCRRFN-OAHLLOKOSA-N 445.549 0.671 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1359024567 PVCCOXQKVJOLRL-LYGPFTKASA-N 426.539 0.196 30 10 ICEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359228753 NGHUPNVFINAGOJ-QGZVFWFLSA-N 425.493 0.004 30 10 ICEE COC(=O)[C@H](Cc1cncs1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455474515 RQBPEIYCMBWRSJ-RISCZKNCSA-N 436.515 0.861 30 10 ICEE Cn1cccc1-c1nnc(N2CCS(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503670927 HADFBYHNWICVNQ-FBMGVBCBSA-N 429.506 0.379 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507623271 UJKOMXMTMMSGLU-HNNXBMFYSA-N 448.574 0.954 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN(C)S(=O)(=O)CC)CC1 1507724306 BRHFOWMZXIIUFZ-UHFFFAOYSA-N 433.582 0.710 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC1 1507901749 FMDGJVBGOYYGJI-HNNXBMFYSA-N 431.584 0.474 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1517480693 BDTKREAAAYJFHO-NRFANRHFSA-N 425.493 0.779 30 10 ICEE C#CCN(C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@@H]1CCS(=O)(=O)C1 1520935669 VAUBBJRYYOFWEW-HUUCEWRRSA-N 427.523 0.103 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1538760476 BBGNCOKGAXLDLW-TXPKVOOTSA-N 437.543 0.484 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1539323889 LLRXPYRMCVTBLQ-MRXNPFEDSA-N 438.575 0.610 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1539416959 WGAIXXLPOFDXCL-JKSUJKDBSA-N 444.579 0.091 30 10 ICEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1555556573 DMNUINURNXKQSP-UHFFFAOYSA-N 429.529 0.209 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 1564230788 QSULGKMWTMRZET-ICSRJNTNSA-N 433.578 0.834 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588035602 VWHYMNGFEVABBS-DOTOQJQBSA-N 436.538 0.411 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588045691 OTXRFMJIZSYEHZ-JXXFODFXSA-N 431.518 0.507 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1588574319 DIGWDUNEWBUOMK-CVEARBPZSA-N 441.554 0.518 30 10 ICEE COCCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCS(=O)(=O)C1 1631260788 SYRYIEFRWZYFPZ-CYBMUJFWSA-N 432.495 0.789 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cc(I)ccc3O)C2)c(=O)nc1O 1648028574 GGLQMMRKOJPUEL-UHFFFAOYSA-N 438.181 0.828 30 10 ICEE C#CC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1653281639 VZOPVDJFHWPWOJ-AWEZNQCLSA-N 443.319 0.189 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 1669718263 KQVYTNSOKWWDLL-ICSRJNTNSA-N 433.578 0.692 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1689985710 AARRONFFBFTOSH-KRWDZBQOSA-N 448.618 0.959 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690677883 CYVNGIRLSQHBHD-KKSFZXQISA-N 434.541 0.678 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1690731840 RIPUREPVEQKKKP-PMPSAXMXSA-N 442.538 0.602 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC(=O)N1C 1693781700 AASRUBSYSXUFNT-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566714 PQCMHWXFWJUEDV-INIZCTEOSA-N 443.595 0.454 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705573617 KLFGGWPSJRKIAL-LSDHHAIUSA-N 446.499 0.845 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)CC1 1705631793 QGXHZKAPVSBNRG-UHFFFAOYSA-N 425.493 0.179 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(CC)CC1 1722281333 YBUZGSGTZNVIHE-GVDBMIGSSA-N 425.603 0.372 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1722458474 KNLSPCTYQYHNJS-OAHLLOKOSA-N 446.533 0.714 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740992741 TWOHUDZMEPTSEL-OAHLLOKOSA-N 448.549 0.429 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1748791638 YNWWYOYZWFXANX-GOSISDBHSA-N 433.534 0.875 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1748802461 QFKRWGOVGPJHDW-YESZJQIVSA-N 437.566 0.858 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1748804905 MHOIIFDLITVNQH-OAHLLOKOSA-N 431.584 0.358 30 10 ICEE CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1750191191 BQELHFSDEAESDW-OAHLLOKOSA-N 441.579 0.887 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C(F)F)N1CCOCC1 1760097395 DSYOGQBWMPFYKX-KKUMJFAQSA-N 448.540 0.702 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159722 NOJALODPIWZXTQ-QFIPXVFZSA-N 432.569 0.990 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1760190480 RDTMAFLCOUBPDQ-HNNXBMFYSA-N 431.522 0.010 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1760457000 CILTWAPTIJECKJ-UHFFFAOYSA-N 427.552 0.862 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760544486 ASCWLIXUFYTAAM-OAHLLOKOSA-N 434.522 0.456 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1767707234 HHOUSNIGVQORTO-GOSISDBHSA-N 440.504 0.700 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 1772564711 WKPNVUYZPKEUDA-INIZCTEOSA-N 439.542 0.124 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1772566453 KXOUCGOMULZVBX-IBGZPJMESA-N 437.548 0.896 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(Cl)cc3F)C(=O)C2)C1 1856835109 KMDGXHQDXVRPKL-CYBMUJFWSA-N 428.873 0.691 30 10 ICEE Cn1c(=O)c2cc(C(=O)NCC#CCN3CCCC3)n(Cc3ccccc3)c2n(C)c1=O 1889695041 OHCHAIAZOZWWQI-UHFFFAOYSA-N 433.512 0.916 30 10 ICEE C=C(CN(C)C(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248442834 XRPXZTUKCWSBBY-ILXRZTDVSA-N 426.319 0.974 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2255875657 BORBTPSEKVVTKH-RYUDHWBXSA-N 433.318 0.709 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2267880333 SHAIJLLWXZOFTD-CQSZACIVSA-N 448.329 0.830 30 10 ICEE C#CCOC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286055480 FUOKDWBHQWSSAR-GOSISDBHSA-N 438.502 0.898 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 27559634 QMNFENQEKBDRHE-UHFFFAOYSA-N 428.942 0.602 30 10 ICEE N#CCCn1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(-c2ccncc2)n1 435139240 WBKGFEWQUBPXJY-UHFFFAOYSA-N 445.549 0.553 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)C1=O 519099384 QSYPXMNAICKMQL-UHFFFAOYSA-N 442.472 0.783 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 524495833 WPASHQGPXUGFOO-GOSISDBHSA-N 433.553 0.936 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)n1 546921715 SMTQPSIWNXZFRT-UHFFFAOYSA-N 428.518 0.082 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 729332410 WQVCRWYWIBETOX-MRXNPFEDSA-N 440.543 0.742 30 10 ICEE C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn3ccccc23)c1=O 732664331 NGDUUIDGSIGNLS-UHFFFAOYSA-N 437.550 0.822 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@]32CO)[C@@H]1C 1078018394 LYJKREGDQDJIDC-DNKVSMIBSA-N 433.457 0.485 30 10 ICEE biogenic C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 1156618773 TUCLOLIQUFAWIP-CTNGQTDRSA-N 442.491 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3c4cccc(Br)c4C[C@H]32)CC1 1175515332 XOIQJMPCGCEZEI-HYVNUMGLSA-N 438.347 0.947 30 10 ICEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 1178206863 AUDWUUDMPUMELL-UHFFFAOYSA-N 432.546 0.367 30 10 ICEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286344763 CUSCJYWOBLDLOX-UHFFFAOYSA-N 436.516 0.866 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286381061 LASRCDZKXMMUHF-SFHVURJKSA-N 442.545 0.779 30 10 ICEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291287410 BCLYSXBAVIPKSO-MSOLQXFVSA-N 431.541 0.744 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1300509636 QWIHGLFHAKRKPG-DLBZAZTESA-N 444.565 0.364 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1300579688 YIKBWBMVKMZEKP-YLJYHZDGSA-N 435.550 0.643 30 10 ICEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1301425789 KPSRRNXPDMWKRJ-LJQANCHMSA-N 438.554 0.328 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1301492592 KQMICFYUAMFSHU-CQSZACIVSA-N 426.477 0.685 30 10 ICEE Cc1ccc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1Br 1309505475 BFSVXDXNWQFLKI-HUUCEWRRSA-N 432.340 0.967 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1316101555 MTGRWFYWHYDPIZ-CRAIPNDOSA-N 427.527 0.088 30 10 ICEE CCO[C@H](C)c1noc(CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1319282956 CKDZPDYPXQHIGN-ITZAQCPESA-N 432.481 0.728 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1358889464 BYLLRPQKGJKRJH-CHWSQXEVSA-N 443.480 0.709 30 10 ICEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nnn(C)n2)CC1 1359160696 AFJNVSOARJQEAV-UHFFFAOYSA-N 443.537 0.924 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359333298 TVLRFYTUYLGJHE-OAHLLOKOSA-N 433.600 0.549 30 10 ICEE C=CCN(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1442037561 XTQYIGIHTAXCSH-DZGCQCFKSA-N 436.939 0.181 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1447563549 ZNJCCWRKQVAUHU-AWEZNQCLSA-N 442.542 0.887 30 10 ICEE Cc1oc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1S(=O)(=O)N1CCCC1 1463164252 QRFVNMWPLGRBBQ-SUMWQHHRSA-N 427.504 0.383 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 1471451668 WRGBSDOTWAXRSB-UHFFFAOYSA-N 432.546 0.718 30 10 ICEE Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1492521839 WRTZLTSNUQFWQS-HTXNQAPBSA-N 441.517 0.744 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508059352 SHBSDLBEDFBLPF-GJZGRUSLSA-N 428.522 0.743 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508084076 HFSBQPAXQAZBBS-MRXNPFEDSA-N 438.492 0.039 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1518645985 PJZHDPAXXZMWOI-JOCHJYFZSA-N 437.504 0.590 30 10 ICEE C#CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1560142748 BIAHYWBXKRCDAG-UHFFFAOYSA-N 444.598 0.719 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1568812669 GIUQCVYPXVFRJE-BBRMVZONSA-N 431.518 0.396 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1588074951 UTHGWWSNDTUVKO-ZWKOTPCHSA-N 437.566 0.700 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1616922887 QHJDMXIJLCXHEM-ZWKOTPCHSA-N 427.509 0.948 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c(=O)nc1O 1635154324 CHZCCJKSPIMGSZ-HXUWFJFHSA-N 436.516 0.629 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1635737802 ZCZOZWKQZXAIMG-UHFFFAOYSA-N 440.547 0.339 30 10 ICEE CC(C)(C)OC(=O)N(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C[C@H]1CCCO1 1636512883 VGYWFNDMNYSMLN-QMTMVMCOSA-N 427.523 0.799 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1638217216 IMLZVSUNKPYRNL-ZOCIIQOWSA-N 442.538 0.592 30 10 ICEE CC#CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1640793908 GTHFQKLSVCDLPB-IRXDYDNUSA-N 435.546 0.961 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 1642589776 WYEVAFPIZPUMHO-LJQANCHMSA-N 430.571 0.224 30 10 ICEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343466 LDXQROAEOSTWQL-QWQRMKEZSA-N 440.547 0.134 30 10 ICEE Cc1ccccc1CN1CCC(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1660446783 GJYBFTFDTAFXDB-SIKLNZKXSA-N 430.574 0.946 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1698306516 HOKNXJDJHKGCFE-SFHVURJKSA-N 441.517 0.963 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1705629174 YTTFOLCUBFCIAM-IRXDYDNUSA-N 441.554 0.124 30 10 ICEE C#CCN1CCN(c2nnc(CC3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1705641625 NAHJVGCBRCDONT-UHFFFAOYSA-N 428.562 0.876 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1705929977 CFZWPCJFSKXEDW-QWHCGFSZSA-N 437.613 0.431 30 10 ICEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706056742 WFFFIROHNZCJGZ-QGZVFWFLSA-N 437.508 0.628 30 10 ICEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722403662 ZRGAWJDQYFXKJD-UHFFFAOYSA-N 430.534 0.864 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNC(=O)C1CC1 1723908768 GWFUJPXWOLXCKZ-CQSZACIVSA-N 445.549 0.923 30 10 ICEE CCOC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729107931 SNFCUGDHPDAQRK-DXQAYGFFSA-N 445.524 0.806 30 10 ICEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729227888 PHICIKISTPGVRT-UHFFFAOYSA-N 433.538 0.951 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740787284 GDFIZACAAXUMFS-XHSDSOJGSA-N 440.570 0.443 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749669297 GNLFWHNCMNVYAR-UHFFFAOYSA-N 442.524 0.905 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)C1 1749713397 SQBUPERCVUYXBS-RDJZCZTQSA-N 435.554 0.723 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749740985 MDOILEAABWULJN-UHFFFAOYSA-N 435.554 0.856 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1749882937 QODIQOYXHRAUOJ-HNNXBMFYSA-N 442.524 0.908 30 10 ICEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN(CCO)CCO 1870641438 YMDYTGWOZJEWJL-UHFFFAOYSA-N 445.516 0.525 30 10 ICEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NCC2(CC#N)CC2)c1 430315303 ATUYDAOOMFEUMN-UHFFFAOYSA-N 449.533 0.522 30 10 ICEE Cc1ncc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1C#N 489826489 FQWWVUCKGTXNRI-SFHVURJKSA-N 431.522 0.761 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 505701748 ZHNLWYYLFHHAQC-JKSUJKDBSA-N 442.541 0.630 30 10 ICEE CC(C)n1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 583727309 XTXACGDWOXFFFD-UHFFFAOYSA-N 430.490 0.807 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 670197237 HCVUPQBFXDGWNS-QWHCGFSZSA-N 439.460 0.955 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 729332069 UKEJKCPLKMIVBR-CYBMUJFWSA-N 438.449 0.633 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C[C@@H]3CCCO3)c2=O)cn1 772278663 MWKGKXDZYZUJNI-HOCLYGCPSA-N 443.529 0.040 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCC(C)(C)O)C1=O 774295984 MWDRRQCRIQUMGI-INIZCTEOSA-N 449.577 0.946 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2N)CC1 1157008965 GXGQTRDQFUXQPE-UHFFFAOYSA-N 426.258 0.381 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1286558067 ZNZMTZIKIUQLHJ-XHSDSOJGSA-N 428.580 0.730 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1286878379 VKXOPUWUVZZSEV-NXHAUGRDSA-N 438.492 0.857 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1301478829 PFQUJULATPHMFF-NEPJUHHUSA-N 438.476 0.969 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301485110 RAJUUMGHUHLZAO-UHFFFAOYSA-N 429.506 0.201 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1301501674 ZRGOMMBBFUGZHK-IAGOWNOFSA-N 437.566 0.878 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1301968170 KJTWCWFAKOOPII-RKVPGOIHSA-N 442.542 0.012 30 10 ICEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1303043066 SOCBJPLHBFQHNM-CQSZACIVSA-N 428.507 0.782 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CCN1C1CC1 1329604555 YJJCFADVTGBXKK-JQHSSLGASA-N 434.566 0.926 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1358949056 RQYKKSQOGQYSAK-IBGZPJMESA-N 445.545 0.858 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1359018943 HAEDJSLIPGDPIC-FXAWDEMLSA-N 440.566 0.841 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359291040 CCLAQYBRNYVQGU-UHFFFAOYSA-N 434.545 0.302 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1462874657 OMEJZTBIVAERED-OAHLLOKOSA-N 426.516 0.155 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1479079568 YQOVXQMDSKRNNW-JKSUJKDBSA-N 443.570 0.569 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507628498 WWDLEXAWZACDLI-AEFFLSMTSA-N 438.550 0.976 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)COc2ccc(Br)cc2)c1=O 1559343766 HNSYGDBLNHZQOH-UHFFFAOYSA-N 436.262 0.954 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 1588806586 WAQFKPJNEHIGIE-QGZVFWFLSA-N 425.468 0.762 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1615952384 CLKAAGMZUQEUSG-WUKNDPDISA-N 444.540 0.954 30 10 ICEE CO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619493686 WSNBEXYHCADZKF-ZFDMEJTGSA-N 431.497 0.558 30 10 ICEE Cc1ccc(C(=O)NCCCn2c(=O)ccn(C)c2=O)cc1B1OC(C)(C)C(C)(C)O1 1626754387 HOKIBHHVHLRKBJ-UHFFFAOYSA-N 427.310 0.975 30 10 ICEE CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1629660138 SOMCNBSXZDVBIP-HNNXBMFYSA-N 431.559 0.961 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 1632966378 ODGRUXIFTXHNKD-UHFFFAOYSA-N 444.307 0.446 30 10 ICEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1639821708 KRONJBLSDORSAQ-XWDORNJCSA-N 447.513 0.545 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O 1689848151 PPPXPGHYQJFRRB-ZDUSSCGKSA-N 429.506 0.991 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1689978509 XBYQMONDTDNEML-HNNXBMFYSA-N 425.555 0.716 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690673935 JQPGRIZEOJWGEE-UHFFFAOYSA-N 438.492 0.087 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690723845 BYWORVKTOFQWNH-SJORKVTESA-N 437.566 0.974 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564364 BWVLBUJVWRZWIJ-IRXDYDNUSA-N 437.566 0.571 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)CC1 1705634347 SCPUAQFDNZUMHW-GOSISDBHSA-N 445.545 0.519 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705747141 GQXHVTHRNXSXSK-VXGBXAGGSA-N 425.964 0.654 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1722359217 QZYIFCTXYQIZIY-MRXNPFEDSA-N 435.554 0.376 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CCO1 1729679146 HEIRCAVQGQSGJM-LAUBAEHRSA-N 428.493 0.555 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1740612812 JKSVGXPFFPPGHP-UHFFFAOYSA-N 430.534 0.769 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740693847 OYNVHCUIPZAQOY-KRWDZBQOSA-N 429.550 0.377 30 10 ICEE CCOCc1nnc(N2CCCN(CC)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747173625 ZEROMSYFMHBJIP-VHEBQXMUSA-N 431.497 0.400 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1748815412 QDIIWNGXFGYBFW-INIZCTEOSA-N 445.549 0.716 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1)C1CC1 1749508243 LUSOQFBUSGVKHV-ZDUSSCGKSA-N 431.584 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760521108 JNKYTLZQUUWJLD-UHFFFAOYSA-N 437.548 0.896 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCOc3ccccc3)CC2=O)CC1=O 1857439060 DGRLKYVMEVXDBP-MRXNPFEDSA-N 435.502 0.101 30 10 ICEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCN2CCOCC2)sc2c1CCC2 1872707519 VPACYYANPNMYNH-UHFFFAOYSA-N 446.489 0.571 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255824114 BMYJSYUKYJHWLQ-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CN(C(=O)OC(C)(C)C)C1 2255880559 HUNFLBXYNDMRLN-UHFFFAOYSA-N 437.306 0.737 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)n1 2267118277 YBMKBXVYKLMIKU-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 502045964 GOZAMPIMEOJDIS-UHFFFAOYSA-N 435.509 0.303 30 10 ICEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 760320295 WEGKJUHRQBCGQF-CABCVRRESA-N 446.533 0.657 30 10 ICEE CCNC(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1296312267 YXNVIOIHEAVFEX-VLGSPTGOSA-N 428.497 0.533 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1299262111 IYGPCFSKAHMEOM-UHFFFAOYSA-N 447.503 0.981 30 10 ICEE COC(=O)[C@@]1(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CCOC1 1301070887 HURNUPYUZNGULX-HTAPYJJXSA-N 430.480 1.000 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1301424324 JEKWWJDGLUNRAL-OAHLLOKOSA-N 429.543 0.286 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1301479233 XGDSIMPPKYGPNI-AWEZNQCLSA-N 431.522 0.699 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1301482644 YEQQGDAWRIMIOK-OAHLLOKOSA-N 440.570 0.730 30 10 ICEE CC1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303976611 OVKPGDDAMRTRCP-LTRYHMRKSA-N 429.481 0.371 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1358978927 YBYDDNRISHVWGC-GOSISDBHSA-N 437.525 0.587 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)CC1 1359035237 OUKQMXFZZXZROE-MRXNPFEDSA-N 425.493 0.445 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359299731 MIKMEINSBZPOIB-GOSISDBHSA-N 447.584 0.465 30 10 ICEE CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cn1 1502229510 HMJJMGGZMKXLIY-GOEBONIOSA-N 436.542 0.472 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1507616696 MFJYHFXOKGNURI-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1507652147 DRUVSGLOXCDQNK-HXUWFJFHSA-N 446.621 0.527 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCOC)CC1 1508059037 KRXFLPYXJSKMDK-MRXNPFEDSA-N 429.543 0.429 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1508104705 KNXMHZKSFKRVTR-HNNXBMFYSA-N 448.549 0.780 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508142876 BSXTVTJALSNSAI-JKSUJKDBSA-N 433.490 0.979 30 10 ICEE C[C@@H]1COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1512552736 FGZWFOMKMYRMBC-RKVPGOIHSA-N 426.518 0.343 30 10 ICEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1517319769 HNZYOYJPAWSOIO-FQEVSTJZSA-N 441.517 0.699 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1517429087 JFMCYFCYOOYKDB-IAGOWNOFSA-N 440.504 0.949 30 10 ICEE C#CCCCCn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539070956 HQSASPNOVXGSSF-UHFFFAOYSA-N 428.541 0.747 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539215847 KDZYTNDOBMVRTI-OAHLLOKOSA-N 442.492 0.977 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1539497387 LPPWBJLSMRQZQC-LSDHHAIUSA-N 438.583 0.688 30 10 ICEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)CC2)cc1 1540877537 YPJNCFWAUZHFQQ-HNNXBMFYSA-N 448.549 0.828 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554405966 AIFIVJOSBOQNTJ-RURFIKTLSA-N 427.509 0.719 30 10 ICEE N#Cc1ccc(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Cl 1559637032 GLZWHEQSLMGCKC-DLBZAZTESA-N 426.926 0.628 30 10 ICEE C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1603132010 XYMDINODIBXGPN-SFHVURJKSA-N 433.310 0.964 30 10 ICEE COCCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611165449 OWZSANAKMORYSG-YWZLYKJASA-N 430.486 0.908 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1618575282 BENYKWKEBJEIMS-QFIPXVFZSA-N 449.519 0.953 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1618596251 OTIKHRRCBGQGCV-ZHRRBRCNSA-N 437.504 0.970 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)CC1 1632811451 XFVKOSXGELCWBU-HNNXBMFYSA-N 432.506 0.516 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccncc2)cc1 1634771984 VMVSWIJYTQSEGW-MSOLQXFVSA-N 431.470 0.388 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn2cc(Br)cnc12 1660939985 JHRZEMDTXWKGJT-NSHDSACASA-N 435.325 0.856 30 10 ICEE C#CC1(O)CN(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1682076826 SCNFNIRAUWVPAM-AWEZNQCLSA-N 442.335 0.992 30 10 ICEE C#CC1(O)CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1687571553 FTJZIKHVNZLHAS-OAHLLOKOSA-N 429.539 0.580 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCS(=O)(=O)C1 1689840470 ZXXZDJYQKONDGB-LSDHHAIUSA-N 426.506 0.813 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1689966384 QGJZZFPPBSHRDU-QAPCUYQASA-N 433.534 0.782 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689978433 VOJNRURULXQRKD-MRXNPFEDSA-N 446.533 0.495 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689988314 MQTABSLCGBLUPG-HOTGVXAUSA-N 444.517 0.308 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1690001531 LSWQDJFPWLPTGC-MSOLQXFVSA-N 436.582 0.462 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1690124214 HLAPQYITRACHKO-GOSISDBHSA-N 448.593 0.338 30 10 ICEE CC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694898393 IIAAIQGWUAYFMW-NHWLHPCLSA-N 448.549 0.943 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ncn(C)n2)c1 1705507982 ODFKZTZHFHFVIH-UHFFFAOYSA-N 447.503 0.634 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1729679123 GUKWAGIDCVBUHR-IRXDYDNUSA-N 437.504 0.683 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1745894038 FXZNDSIOJOQOLP-UHFFFAOYSA-N 434.522 0.688 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 1748971714 ZPGIYGNIYVYSLN-UHFFFAOYSA-N 437.548 0.910 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1749119950 YRVIQRXXSXVQST-KFWWJZLASA-N 447.583 0.104 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1749651382 UNYMTINSGOJQCQ-AWEZNQCLSA-N 436.480 0.698 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1760206278 VFSKMZWKFJEPDC-GOSISDBHSA-N 429.502 0.803 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1760351325 GJQWPXQVPFTTNH-HOCLYGCPSA-N 428.559 0.586 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760525189 XJOVBNGDJFUPIE-KRWDZBQOSA-N 427.484 0.866 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1767388893 BSWIRMAGSAPODX-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1769379551 BARRSDJSAWQCOZ-FQEVSTJZSA-N 446.533 0.895 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)CC1=O 1853908405 PFRBQABLZVKEKI-CQSZACIVSA-N 441.456 0.500 30 10 ICEE C[C@@H]1C(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccc(C#N)cc1F 1855027483 WPDSZTOAIIYRJV-CQSZACIVSA-N 436.509 0.928 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)C(C)C)CC3)OC2=O)CC1=O 1855149438 NCHDBAMIQSFGAX-JKSUJKDBSA-N 427.523 0.819 30 10 ICEE CCN(C(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1858421763 DEICXMUBOOYJDP-HZPDHXFCSA-N 425.532 0.604 30 10 ICEE C#C[C@@H]1CC12CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 1891815053 QLPDVYKZYYNJDE-GOSISDBHSA-N 445.541 0.699 30 10 ICEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247881833 FMDHKLNLKMPVPS-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255598426 WPRSRXILHAFIJK-JSGCOSHPSA-N 436.318 0.667 30 10 ICEE COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465411038 AFMNBZZYBUYUOL-AWEZNQCLSA-N 438.444 0.576 30 10 ICEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 478746743 NLFRNLYEZRUXRK-KRWDZBQOSA-N 441.557 0.992 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 494388289 VNRAOEYPBHVGLD-INIZCTEOSA-N 435.424 0.957 30 10 ICEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)N1CCS(=O)CC1 509927976 VPNAPHJRHZOEHU-UHFFFAOYSA-N 426.564 0.451 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)CN1CCOCC1 565795440 NJWXGLNQTUDVGD-AWEZNQCLSA-N 442.310 0.908 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NC[C@@H]2CCCO2)nc1C 586302760 IJDAFZHEPROCOO-PSBQPLHCSA-N 429.520 0.777 30 10 ICEE COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 727160404 DIDOQROAMSEMED-UHFFFAOYSA-N 431.901 0.929 30 10 ICEE C#CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 729331365 NJMALJIAPSCZMC-SJORKVTESA-N 435.502 0.196 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@@H](C)c1cccs1 730144868 SVSJGANDTWBOLF-GCPJXVEOSA-N 425.580 0.923 30 10 ICEE N#C[C@@H]1CN(C(=O)c2cncc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CCN1C1CC1 732651669 FEIQPMSQUSEDTN-OYRHEFFESA-N 433.516 0.706 30 10 ICEE C=C(COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 734022337 DBTHGWWGMRAWRU-UHFFFAOYSA-N 427.475 0.921 30 10 ICEE C#CCN1C(=O)C[C@H](N2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 821771626 IDTMKHMNMPLCTI-KSZLIROESA-N 446.548 0.975 30 10 ICEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1C 1152028937 FXKIFDIBKKFBCA-UHFFFAOYSA-N 434.497 0.757 30 10 ICEE C#CCN(CC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)C(=O)OC(C)(C)C 1156591216 BJFJDCJXBZNJBU-MRXNPFEDSA-N 431.555 0.756 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1286793095 RIBNZHZXAAKQLD-SVMVAKDDSA-N 448.568 0.389 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1300556568 JCRQTAXWTCNWSH-IRXDYDNUSA-N 435.550 0.894 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC=C)CC1 1300698645 XBEVYYDQTRYJFH-UHFFFAOYSA-N 432.488 0.651 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301479419 ZQQZQUTYCSAYEH-HXUWFJFHSA-N 433.513 0.530 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301482797 ZXXNWVHGIXDPQA-RHSMWYFYSA-N 446.483 0.811 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301493095 UAJBSEMSVLAEPH-CYBMUJFWSA-N 435.506 0.845 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301587665 XIKFGVVFYOBPKV-KRWDZBQOSA-N 430.534 0.676 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1305242434 AJAXCGHRUDBXHN-NQYLQCIDSA-N 431.518 0.980 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960641 IUHHWIZAXHWOID-CSODHUTKSA-N 445.545 0.815 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)CC1 1476023241 ASSKXNFCOVNDCB-UHFFFAOYSA-N 437.522 0.404 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1505318228 UIWYCPJMZYXNAE-HNNXBMFYSA-N 427.490 0.374 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507739187 OBFZVBTXGNNONM-AEFFLSMTSA-N 449.577 0.573 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539220867 VUARTFZPQUSYER-CYBMUJFWSA-N 431.509 0.875 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@H]21 1540898046 YNUZLZJVDJBVEQ-SOUVJXGZSA-N 431.584 0.868 30 10 ICEE C#CCN1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1557398457 AQWYERDATVBKJQ-FQEVSTJZSA-N 434.562 0.361 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1588791191 OVSZLVCVXBDEKH-UHFFFAOYSA-N 442.545 0.633 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1595760879 UNIXYXRUBPMOPA-CYBMUJFWSA-N 430.556 0.229 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 1632960181 CIOZHJQGGRDBIP-UHFFFAOYSA-N 432.911 0.952 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1638848456 PFCICNQPDJRBCC-KRWDZBQOSA-N 437.493 0.299 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1690019484 JYJLCORXJBDIQZ-GOSISDBHSA-N 429.502 0.438 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(CC)n2)CC1 1690111504 CXPDDSIYIJGRGO-AWEZNQCLSA-N 437.595 0.711 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)CC1 1690112437 XWRYEAGNWCZREX-JKSUJKDBSA-N 426.612 0.787 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1690139214 DOHQROAQHNILCT-HSZRJFAPSA-N 434.500 0.934 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690670690 HEJKLAMJVYTVLP-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1698335942 MHYMYEIOTOQEDK-CJNGLKHVSA-N 425.518 0.715 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)c1 1698484107 FBIISSBLDZTEAL-QGZVFWFLSA-N 443.533 0.554 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1705565626 IJWZQZMXDHOBCN-IRXDYDNUSA-N 428.518 0.608 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1705571577 BHSMMIULSCADTG-OAQYLSRUSA-N 430.578 0.697 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1705897084 FVDGRXJDODUSDY-OAHLLOKOSA-N 440.570 0.588 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705901842 XVSPISMZSSBRNY-LBPRGKRZSA-N 440.430 0.920 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1705934758 WGOGGGAMVAKUPE-MRXNPFEDSA-N 448.553 0.338 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705935858 FHYOIWLZPZUXTF-IXDOHACOSA-N 426.539 0.767 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1710898614 IECQJMRYHJRTCS-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722458110 CVNXAFPCGVSYIV-UHFFFAOYSA-N 432.550 0.029 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1722640901 UPOIPFRDAOGWIT-AWEZNQCLSA-N 428.559 0.538 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1740621007 SOIODEWITCDMMI-MRXNPFEDSA-N 441.517 0.757 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1740655393 AORVSEQTPLSOAB-DLBZAZTESA-N 437.591 0.827 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccn(C)n2)n1 1740688956 MGQANVNSSDTOQF-SFHVURJKSA-N 437.508 0.494 30 10 ICEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740882783 YBGSZCZODNVNAH-SFHVURJKSA-N 435.488 0.556 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740991210 QTSJYPNKZGPRPF-KFWWJZLASA-N 427.527 0.070 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1751284950 MTIOPNPGXLUFFQ-WBVHZDCISA-N 437.504 0.955 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760186979 BPYMMEVSJDPOPS-JXXFODFXSA-N 430.534 0.913 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760188035 ZGQVQDANLATPID-SJORKVTESA-N 431.566 0.870 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2scnc2C)CC1 1760254206 REJAGJXWJQBSEB-HNNXBMFYSA-N 437.595 0.651 30 10 ICEE CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763132497 VLTHNCNFCAMEIQ-QZQOTICOSA-N 443.552 0.916 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1763226870 RSDHPKNSIORJOX-UBSPPKPUSA-N 429.481 0.371 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770728782 VXIQXLUCQIVDJN-XBVMLYLOSA-N 442.455 0.482 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2=O)CC1=O 1853830454 FSRFYVOGYIPOFJ-CYBMUJFWSA-N 439.465 0.228 30 10 ICEE CC/C=C\[C@H](O)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@H]2O 35270644 SLYDIPAXCVVRNY-FURSAZSWSA-N 431.441 0.003 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508855236 GNBCOSWMOXYJBI-INIZCTEOSA-N 429.543 0.429 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 580576560 YUHWIOUXCQTHEL-RDTXWAMCSA-N 426.543 0.150 30 10 ICEE C[C@@H](CC(=O)OCC(=O)NC1CCN(C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 745495619 HRRBGOPPVLTDNU-AWEZNQCLSA-N 448.545 0.790 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)C1 749792621 ZJOSBWVYAZKNRO-INIZCTEOSA-N 426.539 0.200 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 795970551 NPAJRSPLSOKJLR-UHFFFAOYSA-N 444.469 0.447 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c1 1125125690 LFFHBDZXTPVTIF-JFPYRBRCSA-N 428.536 0.910 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc1 1140993489 JBEPKTXZJIYTNE-MUUNZHRXSA-N 440.543 0.515 30 10 ICEE N#Cc1cccc(C2(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCOCC2)c1 1147811003 RGQWNUFVSCSTLF-AEFFLSMTSA-N 431.514 0.716 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286793783 LWIJVAJYWVFTBJ-YTQUADARSA-N 445.568 0.421 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286819337 HAYUGIJFAUMIAG-JKSUJKDBSA-N 437.566 0.961 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286833225 XHOWXGGXADDGDX-ZIAGYGMSSA-N 434.609 0.723 30 10 ICEE CC(C)(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287037817 IAPQIYFIGRKSPC-WUKNDPDISA-N 436.538 0.628 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1300699307 AZIPMCAVLYMGGN-GOSISDBHSA-N 438.598 0.599 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300754522 BMUWOVXEBBFUJV-UHFFFAOYSA-N 449.544 0.922 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301222743 FAJSIDBCOXGEHK-HUUCEWRRSA-N 431.584 0.664 30 10 ICEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1306193683 HHGMERCCCCVWJB-QGZVFWFLSA-N 444.565 0.858 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 1309597029 BQJSMRSARKQEIO-UHFFFAOYSA-N 432.315 0.785 30 10 ICEE C#CCN(c1nnc(C)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1358956474 GHVMOTAKJUEHEA-HNNXBMFYSA-N 439.538 0.507 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358958783 VZMBLEABGDZTFF-MRXNPFEDSA-N 447.517 0.332 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1359089729 OAMRUVKXIPWENR-APWZRJJASA-N 446.552 0.966 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359126124 GJJWQLVVULOKHI-JTDSTZFVSA-N 443.570 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1359333204 QRIQGNPIXUFGST-ZDUSSCGKSA-N 429.524 0.405 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1507557938 UXAQUVQDPRGRII-KRWDZBQOSA-N 438.598 0.993 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507564531 RPRLZVCXSBJSJG-LPHOPBHVSA-N 440.591 0.999 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507632055 IPNGPOOHMASIAE-IKGGRYGDSA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1507634656 OQTOMGAINAGSFJ-HZPDHXFCSA-N 442.607 0.928 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N3CCOCC3)CC2)CC1 1507715953 KOCFUWIEJWEJOY-UHFFFAOYSA-N 443.596 0.817 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CCCO)CC1 1507726544 IRYHZEMAFQCTOO-NRFANRHFSA-N 440.596 0.742 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508137647 OYDTZKUFNOBDDF-HNNXBMFYSA-N 425.536 0.564 30 10 ICEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587755078 SRNUPYUUNHBUIL-UHFFFAOYSA-N 438.536 0.519 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1588930246 QVFCJAZOWYWCAD-LJQANCHMSA-N 444.580 0.859 30 10 ICEE COC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1621628938 DBUPZPMEDNFBIO-UHFFFAOYSA-N 428.536 0.220 30 10 ICEE COCCN(CC#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1625825735 DUROLXBQBMTPBU-UHFFFAOYSA-N 436.490 0.768 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 1632508435 HEQHXRUMOGZPMT-CQSZACIVSA-N 448.505 0.601 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCN(C)CC1 1640817664 CNKZDZCULWUHTD-MRXNPFEDSA-N 435.550 0.030 30 10 ICEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1644351691 VUDQPOVXZLHOHU-BDJLRTHQSA-N 432.424 0.752 30 10 ICEE C=CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1652734837 HLLXOZIDWJDVSI-MRXNPFEDSA-N 429.564 0.058 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1690077029 HDFBAQZAMPZROV-GOSISDBHSA-N 444.561 0.920 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1690464910 NBJSTJDGICNXAC-KRWDZBQOSA-N 440.570 0.636 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705567451 WKYQBGFDLTVVAA-FGTMMUONSA-N 438.550 0.604 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1722372264 SPLPISVABUBKBW-KRWDZBQOSA-N 449.577 0.844 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)CC1 1722446782 BJNIWRBOZSASLX-SFHVURJKSA-N 449.577 0.739 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1729342565 HJOMEXQMSUOYQC-HZPDHXFCSA-N 446.489 0.822 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740628384 XHMGCNQZOKJGLV-HLIPFELVSA-N 438.550 0.604 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1748811292 DJRZIDSMZOKCEH-MPQSDHOMSA-N 445.545 0.897 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1748815368 PRFAPJKJDDRGBZ-JKSUJKDBSA-N 435.550 0.673 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749103896 GPSIDBHDIJNZKE-LRDDRELGSA-N 444.355 0.805 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749199687 YCCGBEQTCMZITM-UHFFFAOYSA-N 449.537 0.617 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760188749 MIXRLWDCGCLBTN-BQFCYCMXSA-N 433.534 0.951 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760520546 RPHKDXWPGBUVCP-KRWDZBQOSA-N 425.493 0.470 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)C(C)(C)C2=O)CC1=O 1857454139 PEVDIXYDNJIVDR-GFCCVEGCSA-N 439.456 0.753 30 10 ICEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 1872924757 AKJVRIOUJJMDIN-QGZVFWFLSA-N 448.545 0.223 30 10 ICEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCOCC3)OCC(=O)N2C(C)C)cc1 1889253776 BNJBPFATGVRJLO-FGZHOGPDSA-N 429.517 0.824 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNC(=O)OC(C)(C)C 2243437886 DOSOVELJEUOMFL-UHFFFAOYSA-N 430.336 0.522 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2255655798 RFEKRBDVEOUEJN-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255694505 ONDPIVXSUDOWTN-UHFFFAOYSA-N 427.314 0.091 30 10 ICEE C#CCO[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286027162 REDLMXKPFHSNKN-ZWKOTPCHSA-N 438.502 0.898 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1 14925024 KWIAQTBVOUWZKY-UHFFFAOYSA-N 447.542 0.952 30 10 ICEE CC(C)N(C[C@H]1CCCCN1C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089100 OLBJCNUHHUXGNN-QZTJIDSGSA-N 448.373 0.725 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)CC1 489068091 FKEXDZLSUWGNHW-UHFFFAOYSA-N 425.507 0.228 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccnc2C)CC1 508938635 LLBKYBKDZNMNIT-MRXNPFEDSA-N 448.553 0.222 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)nc1 518399227 UEOPROPGAFHVPE-OALUTQOASA-N 442.497 0.973 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 669818512 CREDMVQNLZAFTO-FRRDWIJNSA-N 439.460 0.953 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 685549479 UJJLPKORVBONGK-GOSISDBHSA-N 448.549 0.829 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 739830240 NQXLARZSOZAWFR-CYBMUJFWSA-N 448.888 0.899 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)C1 748408268 KFDSTKZCEZCJDX-AVRDEDQJSA-N 427.505 0.798 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc(F)c3cccnc23)c(=O)n1CCN1CCOCC1 759225562 DOLPBUXHRQFJTB-UHFFFAOYSA-N 435.484 0.956 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 807110495 UPUQTNVBTROAAL-RRFJBIMHSA-N 429.543 0.811 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC1 914718107 JMPQTXMRHMYFOZ-UHFFFAOYSA-N 426.514 0.572 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](O)C1 1152293810 BAXWRHWOGKPADK-IAGOWNOFSA-N 437.518 0.960 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(O)cccc2OC(F)(F)F)CC1 1194096247 CTTDBSROXAANNI-UHFFFAOYSA-N 443.425 0.065 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)ccc3scnc23)CC1 1213522169 MWCHOJOZOVPNOC-UHFFFAOYSA-N 434.952 0.724 30 10 ICEE CN(CCOCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1279833173 WDFUOVORCXPVNB-UHFFFAOYSA-N 440.522 0.725 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1286466575 ZSAPGWSRLMYXRV-UWJYYQICSA-N 448.593 0.523 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1286582219 UJEMKYQZAKJWEA-INIZCTEOSA-N 443.570 0.555 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1299300929 ISMIUGNRIQILLN-JWTNVVGKSA-N 430.534 0.963 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)CC1 1300705867 DHDWTZJRWCGEIZ-UHFFFAOYSA-N 439.495 0.934 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301491624 UQBHXBSNDHLOIY-LJQANCHMSA-N 441.584 0.586 30 10 ICEE N#Cc1ccc(C2(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCOCC2)cc1 1302374552 OTWDJVTYNMFZFV-FUHWJXTLSA-N 431.514 0.716 30 10 ICEE N#Cc1ccc(C2(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCOCC2)cc1 1302374556 OTWDJVTYNMFZFV-WMZOPIPTSA-N 431.514 0.716 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCCCOC)CC1 1312231806 FRXQZKNDUUUSIL-UHFFFAOYSA-N 438.550 0.705 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1315818553 RLCPKPAXBUIECZ-GJZGRUSLSA-N 444.533 0.726 30 10 ICEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1316267145 CMKGTHBRGLFPMY-LJQANCHMSA-N 442.520 0.913 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1359090412 AUUZENUPICXDIP-PVAVHDDUSA-N 440.570 0.538 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1360159474 QXJPPWOYUJFQAR-UHFFFAOYSA-N 437.504 0.515 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1443358742 SWKLRSIDWCIVML-RDGATRHJSA-N 438.572 0.809 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)CC1 1476343358 CENYQPKBMUAPCE-UHFFFAOYSA-N 432.499 0.236 30 10 ICEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505140601 UTPDFEITGUGCBK-UHFFFAOYSA-N 445.549 0.810 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507636633 BOQRVRZAMDNITO-XDNAFOTISA-N 439.582 0.579 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1507663358 YTZWACNOEAUUJZ-QFIPXVFZSA-N 441.557 0.878 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1 1507763776 FTWVUIKZWQEFHK-KBXCAEBGSA-N 438.554 0.163 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1507953201 DSOSFGVBDNIDTN-LSDHHAIUSA-N 428.559 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508143877 KUOAREUUXRHBLV-MRXNPFEDSA-N 432.550 0.922 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@H]1O 1554545986 QIXAURHTAWGUCK-HMFYCAOWSA-N 441.488 0.982 30 10 ICEE COCC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555203152 NQXJMOFKXMTTEZ-FMQUCBEESA-N 445.524 0.298 30 10 ICEE N#C[C@]12CN(C(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)C[C@H]1CS(=O)(=O)C2 1558643316 SDXUHJNZNWNEJK-FXAWDEMLSA-N 447.538 0.905 30 10 ICEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 1564874425 ZUWREWXDXGNMKX-UHFFFAOYSA-N 443.485 0.941 30 10 ICEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1594962088 HTTHBXQQDMPSKW-AWEZNQCLSA-N 444.558 0.758 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595517100 PFYJIXFVFMMCNG-UHFFFAOYSA-N 437.504 0.175 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1595799039 VXHQBYLQKULISM-HUUCEWRRSA-N 446.595 0.785 30 10 ICEE C#CCN(C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1628819551 BQWKINKVVFQJNL-IXDOHACOSA-N 427.567 0.728 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c3c(c2)OCO3)CC1 1644282045 QXNBDYPZSVOUMR-UHFFFAOYSA-N 430.280 0.403 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1644637895 CCDXESUZMYTWRE-LJQANCHMSA-N 432.546 0.367 30 10 ICEE CC(=O)N[C@@H](CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(N)=O 1648126039 YWTLALWNGBZWQI-FXQIFTODSA-N 425.276 0.996 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690170040 XJDHHXDWUFQHNM-UHFFFAOYSA-N 425.522 0.632 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1705901636 RMCFCDUWASDVEZ-KRWDZBQOSA-N 443.577 0.958 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1705946426 HKLRGYWZPQBKSU-HOTGVXAUSA-N 427.596 0.620 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1712617266 YPPPQJBKKIFYKV-LJQANCHMSA-N 428.493 0.821 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1722366468 QFCYHHZKWKRSHT-SFHVURJKSA-N 442.545 0.417 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740710354 YCUIDGHGOUOFBK-LSDHHAIUSA-N 442.611 0.750 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1740876490 SZGMRYACTWDLDE-KDOFPFPSSA-N 426.543 0.279 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740964688 GSHBDRAYMQWVQH-OAQYLSRUSA-N 434.541 0.680 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1741943593 HEDQMIXBFAQXHN-XHWCBRGXSA-N 438.554 0.558 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748773294 WEFVCBSEUUZAEQ-GJZGRUSLSA-N 447.569 0.458 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1748790209 GDBSTJKYLPKZKF-WBVHZDCISA-N 436.538 0.576 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748824355 ONOIKPHSWUEBIJ-HZPDHXFCSA-N 428.580 0.872 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1749725517 RSJOZUXFSNMZSM-WMLDXEAASA-N 449.599 0.494 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760525305 ASLJGHBGJYXSJX-OAHLLOKOSA-N 445.549 0.688 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760528195 VKGCNYAQMOBZTH-KRWDZBQOSA-N 449.533 0.791 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1761362615 FAOVEAHHPBCYCV-IRXDYDNUSA-N 439.586 0.835 30 10 ICEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H](O)[C@@H](O)C(=O)O)sc2c1 1865946541 VPCPXDPZYVURSQ-ZIAGYGMSSA-N 441.487 0.404 30 10 ICEE C=C[C@@]1(CN)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136333 WINDMHIFMKMOJW-RBUKOAKNSA-N 425.482 0.556 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255873755 NVACRSPZKFEUEZ-ODXCJYRJSA-N 433.318 0.854 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccc(F)cc2)c1=O 512763139 YWVGSUKPPXZUOL-UHFFFAOYSA-N 441.488 0.520 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 519515018 CLRKMZVWWSXJRJ-UHFFFAOYSA-N 448.526 0.990 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 588123262 ZINJWNDKMKPHQC-QGZVFWFLSA-N 435.554 0.492 30 10 ICEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 737304790 BRXWDLYOFZJELR-GFUWFAGDSA-N 441.488 0.881 30 10 ICEE COc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(NS(=O)(=O)C(F)F)c1 765987680 YAPQIZLYPFGEQK-CQSZACIVSA-N 425.435 0.963 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 781655046 YWZPYEUHFDECRK-UHFFFAOYSA-N 428.514 0.382 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc(S(C)(=O)=O)n2)c1 813397681 LIGZEIHLAXXXET-RCCKNPSSSA-N 437.503 0.945 30 10 ICEE CNS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1141966267 AEMBJJRFWVRSBY-HKWRFOASSA-N 431.540 0.272 30 10 ICEE COC(=O)[C@]1(OC)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1167265811 VVWMHYATKHHYKX-YWZLYKJASA-N 437.518 0.930 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)cc2)CC1 1286485035 AWSUZMWVYOGOHQ-PMACEKPBSA-N 438.532 0.905 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1286580650 AWRWIRSPEHATEQ-WQIZZMQYSA-N 445.611 0.925 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(CC)S(C)(=O)=O)CC1 1286637298 AZERFJXCTOFIJZ-HNNXBMFYSA-N 448.615 0.716 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1300709922 LEHWUSGJAWARQL-QHCPKHFHSA-N 440.548 0.688 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300755286 QBUCMTSUUGZERM-UHFFFAOYSA-N 449.544 0.922 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1302468973 HGQHBHXFVBHFCE-KRWDZBQOSA-N 430.490 0.607 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1304011130 NRKWZWDRCUVJIV-INIZCTEOSA-N 441.492 0.851 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1358979093 CBVRELVXNKNJPQ-MRXNPFEDSA-N 434.547 0.497 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)COCCO2)CC1 1359040663 CZLVABPOCTVANS-HTAPYJJXSA-N 449.552 0.773 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2)CC1 1359044898 RDBPIEXJQOJJBR-QGZVFWFLSA-N 437.504 0.647 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1360712473 AHHQNGZCTJSDNQ-WCQYABFASA-N 425.902 0.714 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)s1 1441305309 FAJAVIXTXSYBMN-CYBMUJFWSA-N 435.593 0.543 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)NCc2ccccc2)c1 1441516646 XUGGQCLZYWSYRB-UHFFFAOYSA-N 439.490 0.972 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507632494 MDFQKIJYWDOJES-KSZLIROESA-N 437.566 0.129 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCOC)CC1 1507723884 YAXXTTMTNAFGRG-NRFANRHFSA-N 430.509 0.549 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)CC1 1507739636 SEVAOSIGTVEONX-UTKZUKDTSA-N 449.577 0.715 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1508058701 DNPOCLNAEGZRGM-KGLIPLIRSA-N 440.551 0.831 30 10 ICEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1521120858 BOCUFTGQJJKZHC-VXPUYCOJSA-N 438.492 0.667 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 1539032742 HFVMQZKPIKABCM-AWEZNQCLSA-N 447.604 0.086 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539222441 WARLTTXPFBLNER-ZJPYXAASSA-N 438.550 0.339 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1540036531 ONVURUHTFXJHLE-MRXNPFEDSA-N 437.566 0.879 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1540902166 BZGBZTOUQWAEJO-CVEARBPZSA-N 441.554 0.460 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1540904438 NCVKKODCCPRQCP-SFHVURJKSA-N 432.550 0.386 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1587307360 RLWZZVVWFQZKGA-CYBMUJFWSA-N 429.495 0.068 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1588054705 PNNMWSGQCXQPAK-SJORKVTESA-N 433.538 0.828 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1650849128 VDZXWBDCDVWQQE-MRXNPFEDSA-N 430.571 0.928 30 10 ICEE CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1660715161 ATXHKEMMKITIOM-LBPRGKRZSA-N 436.303 0.773 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 1676129688 PPURTXQNLQANSB-UHFFFAOYSA-N 433.578 0.754 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1690672671 ZKDOLQSLWHGUSC-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CCO1 1696963398 CPZSJUNZIRIDHI-MRXNPFEDSA-N 425.493 0.540 30 10 ICEE COCCN1C[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1698078673 ICFXCOCJLQQSCB-ROUUACIJSA-N 425.493 0.488 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1712521692 MDTIKUWQHCZZBH-OAHLLOKOSA-N 441.554 0.682 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(CC)CC1 1722281327 YBUZGSGTZNVIHE-BBWFWOEESA-N 425.603 0.372 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1722699467 UYEWYWDZCTZSMX-LJQANCHMSA-N 442.520 0.861 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1722736827 JYJRNYIAVKQHTA-ZOBUZTSGSA-N 441.554 0.270 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1748804484 IJIKNEWBHHZSRE-LPHOPBHVSA-N 426.539 0.593 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748819096 KMRYBSJOSIOHNE-GHTZIAJQSA-N 448.520 0.786 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749649843 CMXKISPXMQFMLE-QYWGDWMGSA-N 432.525 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(N)=O)C1 1749727448 UPXHGPHYFKWMBL-AWEZNQCLSA-N 433.490 0.586 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1768465138 WPPRVFBSUKDTMO-UHFFFAOYSA-N 439.520 0.464 30 10 ICEE O=C1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1771571428 JFTKTYSHQFSLIR-HNENSFHCSA-N 441.517 0.783 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255873167 IPILRAQGHCQBHT-YUNKPMOVSA-N 433.318 0.854 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2313209631 ANWMCRSCPHQHOA-BZUAXINKSA-N 438.330 0.859 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2320986311 JNFQJKUUTIMSCA-UHFFFAOYSA-N 437.302 0.567 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)C[C@@H](C)O1 603576513 YQOUFZLFRDFIQZ-BBWFWOEESA-N 436.534 0.824 30 10 ICEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 731475073 ASPVHLTVERXYLE-KRWDZBQOSA-N 428.514 0.931 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cn1 735069716 ZXBYQYJSZLSASJ-UHFFFAOYSA-N 448.570 0.433 30 10 ICEE C#CCN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 774196125 PESPPXLFOJYHRU-OALUTQOASA-N 433.530 0.927 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4nnnn4CC3)CC2)cc1 1142454744 AGEBSTJEDUICKB-MRXNPFEDSA-N 429.506 0.467 30 10 ICEE CS(=O)(=O)C1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1155490566 DOWAQQKMHIMFDS-UHFFFAOYSA-N 427.548 0.835 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(N)=O)c1 1286272543 CMXDZOSPYKTPFC-UONOGXRCSA-N 434.522 0.259 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286340988 ARRZZOKSLPVLSM-CQSZACIVSA-N 446.599 0.210 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1 1300914402 CWQFYLYFENAAAT-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O)C1CC1 1301326659 FJRPIPUNUYLROJ-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1301578968 LCXWHXWSRRZEKB-QGZVFWFLSA-N 438.554 0.910 30 10 ICEE C=CCn1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)nn1 1302137396 NWPMDEFEMNRWSF-UHFFFAOYSA-N 425.234 0.821 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1 1302925139 XTLZOLCBLQIOHI-UHFFFAOYSA-N 446.323 0.692 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)n1 1304764652 YASZZQDTLHNBLZ-LJQANCHMSA-N 428.541 0.981 30 10 ICEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)C1 1313380512 ANKLABMQMCNFII-ZBFHGGJFSA-N 432.525 0.588 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1313550136 GRFHLSDOLJQUBY-GOSISDBHSA-N 425.493 0.636 30 10 ICEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358925133 VATBUDMGCHTPHT-INIZCTEOSA-N 438.488 0.523 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358929931 KYUCCKPCWZENLK-MSOLQXFVSA-N 448.593 0.336 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1 1358941312 FEOZFVCTRXXDGJ-KRWDZBQOSA-N 446.577 0.986 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358948425 CDVVHHZLESYWDT-GJYPPUQNSA-N 439.538 0.019 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358960129 YAJLUXAMBKHBHW-YWZLYKJASA-N 434.493 0.862 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359040925 JOWPJEFCYYLHET-ZBFHGGJFSA-N 429.525 0.746 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2ccnn2)CC1 1359044979 TUBKNLWMVAXKQO-GOSISDBHSA-N 426.525 0.820 30 10 ICEE COC(=O)C1=NO[C@]2(CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)C1 1460652542 KAWIXFQCNBSQNH-DENIHFKCSA-N 443.479 0.928 30 10 ICEE CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1466851518 KCADBJCPSVJCLL-CYBMUJFWSA-N 427.914 0.513 30 10 ICEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1472151237 VOPSLXBPLYCRIP-UHFFFAOYSA-N 436.486 0.991 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504925759 NEXNOOORODXFQD-FMQUCBEESA-N 429.525 0.525 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1507536576 CSWHHNHJRHBYPE-GZRFBZBPSA-N 432.502 0.798 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507633965 HLDMKONDZLDXOG-LJQANCHMSA-N 428.562 0.986 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1507868260 GWDRFVSTKCIHFE-UONOGXRCSA-N 446.961 0.455 30 10 ICEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1514791335 DBCZFSYNTZBDBF-UHFFFAOYSA-N 435.492 0.693 30 10 ICEE CCOCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1516688322 VLOZOVFAIGKASY-HOTGVXAUSA-N 442.542 0.156 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1539210905 HUEKTYPFTFRIIB-HNNXBMFYSA-N 428.522 0.570 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1540916750 GBLJAVBNPITGJT-AWEZNQCLSA-N 425.580 0.910 30 10 ICEE CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541700517 CRBJQUGLPBKWKQ-INIZCTEOSA-N 437.508 0.347 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1541724079 MRZCWKZNRNMDQV-SFHVURJKSA-N 426.543 0.608 30 10 ICEE CNC(=O)CCN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1554475916 QQXCORJVAADOEP-VXPUYCOJSA-N 438.492 0.363 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1 1557741972 BCHNZXPPEIUMSB-QZTJIDSGSA-N 439.559 0.721 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2Cc3ccccc3OCC2=O)c1 1558299460 CJECXUMRMMWJCP-UHFFFAOYSA-N 427.482 0.749 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1588078806 MTMPMULNBWUXMR-CZIZESTLSA-N 444.455 0.525 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1588084481 RQVIYJBFDXIQTA-AWEZNQCLSA-N 429.506 0.363 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593740731 DIFKMDRPJMYSHH-QGZVFWFLSA-N 447.540 0.396 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595319226 GXVOWHDAZAYGDM-LLVKDONJSA-N 438.476 0.969 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602487 LFYCPRZQKAJYAD-RTWAWAEBSA-N 432.525 0.480 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595804912 IBRIBXMYIRQSIQ-SJLPKXTDSA-N 438.598 0.430 30 10 ICEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1596095509 BJVSFELISLGPQP-UHFFFAOYSA-N 437.504 0.734 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 1622759394 JOISZKCYUGYNHM-KRWDZBQOSA-N 435.506 0.421 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc[nH]n1 1636476081 AYMPZTFIGRACNI-MSOLQXFVSA-N 443.504 0.693 30 10 ICEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1647297118 RLSGXEFJBWACGV-DJJJIMSYSA-N 433.490 0.448 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 1650846356 TUIYWQOPRVHNHH-KRWDZBQOSA-N 433.596 0.370 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1690102695 SLJHBXKMOOIBFL-GOSISDBHSA-N 445.545 0.908 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690672993 KIEXINRXJWKEGH-SFHVURJKSA-N 430.484 0.652 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690725413 PEZJJMBDKYKJTN-GOSISDBHSA-N 432.550 0.970 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1705565421 IGBCAKARMLZOKD-MSOLQXFVSA-N 449.577 0.811 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705565846 WZAZAKVVIOTYEY-MRXNPFEDSA-N 430.534 0.739 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)n(C)c2=O)CC1 1705642351 QICLGGZWEPCAOZ-UHFFFAOYSA-N 434.548 0.950 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1 1705843299 BPBYOUUTICKGLI-QGZVFWFLSA-N 448.549 0.575 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705938499 AGJCDTDPZKKIGG-RTBURBONSA-N 441.554 0.233 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1722419411 AEBNAYFWEQKGGF-HNNXBMFYSA-N 436.538 0.030 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722728064 SYMQEXCDUZTFLL-IAGOWNOFSA-N 436.582 0.895 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1730867660 FNLCASMYZIDAOU-CEQIKUNHSA-N 431.541 0.657 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740888490 TWWDXNPRLYKTRM-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1748817434 KRWAFVAPQPBDRV-JQQNFUDXSA-N 428.580 0.567 30 10 ICEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749456806 AWYWCWLCWIXRAG-GOSISDBHSA-N 442.495 0.748 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C1CCC1 1749493560 HBGYTQKYUMZHGD-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1749671050 YIRPLNOYHQHGBP-WMLDXEAASA-N 428.493 0.911 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)COC)CC1 1760283829 AUBZJGGEFUGBPA-UHFFFAOYSA-N 434.566 0.498 30 10 ICEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765562276 KMTFSMYYSNDOLV-ZWKOTPCHSA-N 430.557 0.376 30 10 ICEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1C#N 1854302199 MQQSWYMRWYIALD-MRXNPFEDSA-N 430.530 0.965 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H](F)CC3CC4(CCC4)C3)C(=O)C2)C1 1856842050 HUKGNVHKJQCZTR-DLBZAZTESA-N 440.541 0.893 30 10 ICEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CN3CCC(F)(F)CC3)C2)CC1 1857042936 HUPZSNBGVIWCRF-OAHLLOKOSA-N 432.493 0.658 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)CCCn3ncccc3=O)CC2)CC1 1890145977 GERZKVDJZQRDEM-UHFFFAOYSA-N 429.565 0.672 30 10 ICEE C#CC[C@@H](N)C(=O)Nc1c(I)ncnc1I 1983726786 KGOZIMFKWBXGFG-RXMQYKEDSA-N 441.998 0.975 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843659 JWMMSFVPRRLPOA-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255873067 AVULVJJELAIVHZ-ZDUSSCGKSA-N 436.318 0.733 30 10 ICEE C=CCn1cnc2oc(C)c(C(=O)NC3CCN(S(=O)(=O)CCOC)CC3)c2c1=O 222764201 UFCWXIDMYCEPJL-UHFFFAOYSA-N 438.506 0.654 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 492354601 OYVHAZSPUPVJOA-UHFFFAOYSA-N 447.580 0.960 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 501538935 SNIRWWZZSCRPST-HNNXBMFYSA-N 426.502 0.713 30 10 ICEE N#CCc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615456931 MIMSGLAMANOBSK-SFHVURJKSA-N 430.530 0.962 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)[C@@H]1CCS(=O)(=O)C1 730212900 FFZHUAWYPZKKID-JKSUJKDBSA-N 441.575 0.708 30 10 ICEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1cccc2c1CCN(C)C2 732152853 CAEOLPRTDQCKPB-XDOYNYLZSA-N 435.488 0.820 30 10 ICEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732669691 OIAWRIVZOISVPY-MRXNPFEDSA-N 427.548 0.861 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCN1C1CC1 732706462 KLNCYWVNUCZETK-HXUWFJFHSA-N 438.532 0.521 30 10 ICEE C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)n1cncn1 732706762 OCXWYRUXXXPNGE-RDTXWAMCSA-N 436.476 0.615 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c1=O 732801893 KPJFNBIFCSUAEM-KRWDZBQOSA-N 429.452 0.378 30 10 ICEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)CC1 748809987 ONLLYDWKQHILQI-UHFFFAOYSA-N 430.549 0.607 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCSC)c2=O)cn1 751828543 UETURIRWBGIQEO-UHFFFAOYSA-N 435.575 0.145 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)C1 760981424 FHJPDXFXDOITLM-CABCVRRESA-N 426.495 0.996 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 1152967724 OCBZKEBHACVAGB-UHFFFAOYSA-N 430.486 0.782 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1175515348 YFCHOABKJCSIJN-DNVCBOLYSA-N 426.539 0.245 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1286783856 NZHWTFGEDJZIFD-CQSZACIVSA-N 426.477 0.685 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300500587 BZBXEZKVOLBOEX-OXJNMPFZSA-N 437.566 0.578 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1301578804 JIXCFZVMRFRLIX-KBPBESRZSA-N 444.583 0.537 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1307651124 YHJNJALXCWFSJV-MRXNPFEDSA-N 428.555 0.240 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1311408806 WOIUJGORWXFGTA-INIZCTEOSA-N 435.550 0.510 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312485002 FWZSFEMRDREJOB-BPQIPLTHSA-N 429.477 0.802 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1358948935 PBYWTGJIMUXNBZ-LBPRGKRZSA-N 427.328 0.909 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC(=O)N2)CC1 1359041318 SUOXSVOUKHOHJK-NVXWUHKLSA-N 432.525 0.247 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306176 YEJKJENFUUUZPF-SFTDATJTSA-N 434.541 0.583 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 1439345852 GPGUHIWOUHTSPH-UHFFFAOYSA-N 428.536 0.887 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507572894 ADSZQBGAZIWPMM-KSZLIROESA-N 438.598 0.849 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1507651392 OEQDVDJIJTVEGR-UHFFFAOYSA-N 442.541 0.890 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539078616 BBWSIDNUFWMAQE-UHFFFAOYSA-N 427.553 0.605 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1539231522 SWIDSPDPGOAKEX-LPHOPBHVSA-N 441.623 0.879 30 10 ICEE CCN(c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1547346389 YTBQHVBGMKWFRU-DCOQFNDQSA-N 436.538 0.941 30 10 ICEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNS(C)(=O)=O 1587856117 HFZJCXPSPPVSLP-UHFFFAOYSA-N 446.581 0.851 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2noc(CC)n2)CC1 1588923598 GEABFBFFNZJNOU-UHFFFAOYSA-N 435.492 0.889 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C1 1595674240 OFRCCEWGJVKKON-BRWVUGGUSA-N 442.586 0.390 30 10 ICEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC(O)(CC#N)C1 1617442363 AGIZISVQLOILLL-UHFFFAOYSA-N 435.550 0.826 30 10 ICEE CN1C[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1625327246 MVCHGCJHLTVZOX-QGZVFWFLSA-N 428.493 0.680 30 10 ICEE CCCn1c(CCC(=O)N[C@H](C#N)CO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1627544430 WIBKGKSOETUBDP-OAHLLOKOSA-N 449.533 0.400 30 10 ICEE Cn1nccc1C1(O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643411800 PUBQIAUVTZGYTM-UHFFFAOYSA-N 431.518 0.749 30 10 ICEE N#C[C@]12CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]1CS(=O)(=O)C2 1654975479 SXKVNYWQIJHYKB-HNAYVOBHSA-N 433.490 0.114 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O 1690051296 UVQAABMPXPLJRF-UHFFFAOYSA-N 425.518 0.529 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690660202 BINAAWAVUVMOKO-LSDHHAIUSA-N 440.570 0.322 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690668109 SMMZHYOKOIMIQA-QGZVFWFLSA-N 440.552 0.679 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690669478 GIXKQDWVYLVTRA-LSDHHAIUSA-N 426.477 0.808 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691181620 WXFCAVQCGXNTSA-YWMAMYRUSA-N 442.524 0.607 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1696577761 ATLIFELFZYRQAF-ROUUACIJSA-N 441.540 0.350 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705571843 JMZWTSYQSYQPGQ-XSLAGTTESA-N 438.550 0.665 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705611928 SULFUKNIPCFLLK-CQSZACIVSA-N 434.522 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705935600 WOSHDFVVYNSNJG-MRXNPFEDSA-N 427.571 0.809 30 10 ICEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710297614 LNDPOZSCSPXBMK-IBGZPJMESA-N 427.557 0.825 30 10 ICEE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1712850171 STIYBYJKWDRLIT-AWEZNQCLSA-N 447.521 0.384 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722359987 BWCDNKRVKIAYIL-QZTJIDSGSA-N 448.549 0.501 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1722698865 NUVDNQIQOTWHJH-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)CC1 1740690740 MKBUJBSTPWITNR-LBPRGKRZSA-N 440.517 0.897 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740958393 OGJZAKJREPFFPV-CQSZACIVSA-N 427.465 0.087 30 10 ICEE CNC(=O)CCN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748260898 MMRLFPAPBPKJFA-FMQUCBEESA-N 438.492 0.363 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748814278 CKKFQBBMCKFVIJ-GJZGRUSLSA-N 448.574 0.978 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1749493464 FYLMMUZRYCUOEJ-OAHLLOKOSA-N 440.501 0.846 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749668818 FKJHLHNNXACWOV-SJORKVTESA-N 437.566 0.878 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCC2)C1 1750211328 IVTOQDBEOYPUJU-IKGGRYGDSA-N 436.538 0.696 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1=O 1853681679 CEIWOEVJOZKONE-SJORKVTESA-N 433.530 0.940 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COCC 1857347371 PAAWEZKMDZGOEC-QGZVFWFLSA-N 435.502 0.546 30 10 ICEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870537544 GCYBPLTZMGTWAQ-UHFFFAOYSA-N 428.489 0.987 30 10 ICEE C=CC[C@]1(CO)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2272087350 WTPJOEKPXZIURM-APWZRJJASA-N 426.491 0.956 30 10 ICEE COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282833911 MNJVHDZHWXLAAT-SECBINFHSA-N 425.721 0.513 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440378822 GUQIKOCANPCOMU-CJNGLKHVSA-N 442.497 0.208 30 10 ICEE Cn1ccnc1CN1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 543106255 QHTWUMGPFSQBFU-KRWDZBQOSA-N 429.502 0.514 30 10 ICEE N#Cc1cc([N+](=O)[O-])c(N2CCN(CCCO)CC2)cc1N1CCN(CCCO)CC1 552996823 IQWAXEDPPUTDQO-UHFFFAOYSA-N 432.525 0.475 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1C#N 786213621 CCNHQVSVXDKMPG-UHFFFAOYSA-N 436.468 0.972 30 10 ICEE Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cnc21 790869200 NPOZKRQFBIKHMR-UHFFFAOYSA-N 440.363 0.526 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)c1 1139111619 QDIUFALVNPHDOD-QGZVFWFLSA-N 436.486 0.004 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 1286478417 AHUJYQYCUJZBHY-MRXNPFEDSA-N 436.582 0.240 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC(C)C)C1 1301496854 ITTPHOWTDGQGSJ-HNNXBMFYSA-N 446.508 0.938 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCOCC1 1316207316 VZTFJNNJPYCONQ-WMZOPIPTSA-N 434.541 0.720 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358960786 LSRUKGDGUZQBQC-IRXDYDNUSA-N 429.550 0.846 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CCO1 1503770215 DRTJEYXRDPMMBA-MOPGFXCFSA-N 440.504 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507742164 BTZMZCSIGWOPHM-IBGZPJMESA-N 443.596 0.749 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508073819 YWMRSZKUJDBDCI-MRXNPFEDSA-N 445.568 0.947 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098683 QJEKZOZSKUWGIS-IIBYNOLFSA-N 434.541 0.713 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1 1538948838 QVKFCIFLVUJGLT-UHFFFAOYSA-N 440.591 0.522 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539446107 QPLBFHBYMJNLHK-RTBURBONSA-N 429.569 0.341 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1554165105 IXAFJBJWRHFLOT-DLBZAZTESA-N 428.518 0.967 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1557386329 HBXZUZQFMOLZQT-UHFFFAOYSA-N 438.502 0.930 30 10 ICEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)COC 1559992595 DHFGSKSCVGCLEZ-MRXNPFEDSA-N 440.522 0.951 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 1563908218 DOTLKNVKZXYCFB-UHFFFAOYSA-N 429.481 0.004 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587783739 WBBVIQMMWMKZHL-MRXNPFEDSA-N 439.524 0.736 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1588140390 WJOLGQKNKLPLTI-OXQOHEQNSA-N 447.517 0.185 30 10 ICEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2=O 1617481420 USFBQNXSPALVAO-FEBSWUBLSA-N 436.534 0.520 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)CC1 1623498960 LCMBKHUEXJSCDP-HNNXBMFYSA-N 427.530 0.851 30 10 ICEE COC(=O)c1cc(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 1644219318 LIUCAVDHFQUGLY-UHFFFAOYSA-N 432.458 0.906 30 10 ICEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1647951495 FQCFQYMWLNQTJA-KSSFIOAISA-N 434.543 0.996 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 1656642020 LCXHCQBWSXFECD-UHFFFAOYSA-N 436.353 0.364 30 10 ICEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1692849280 DDMBVNBFVGKTBV-AWEZNQCLSA-N 428.497 0.632 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705902924 MLCZOFACVZEORR-KRWDZBQOSA-N 433.557 0.469 30 10 ICEE Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)n1 1707814452 OZYTUYSDLRCUGB-UHFFFAOYSA-N 438.492 0.948 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722363966 IUPWBNAANHJBNS-YLJYHZDGSA-N 449.533 0.902 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722365083 CNPUWHPINIIXES-SJORKVTESA-N 432.550 0.807 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCS2(=O)=O)CC1 1722430521 DMNBRAKXELSBMP-QZTJIDSGSA-N 439.582 0.725 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722698859 NRTBXJUQYIMGGN-YESZJQIVSA-N 434.541 0.452 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740719519 GOSCVBLORLNZNF-UHFFFAOYSA-N 437.595 0.588 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCN(C)C2)C1 1740971343 WGPBIWZVVMBALH-IIBYNOLFSA-N 427.509 0.773 30 10 ICEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCS(C)(=O)=O)c1 1742364505 QUXBDYUPOFSBIP-SFHVURJKSA-N 449.533 0.956 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748667153 OCNMKGCGHNSRHY-GJZGRUSLSA-N 427.509 0.942 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C2CC2)CC1 1748790262 HPOIVGYGZOHDIT-SFHVURJKSA-N 436.582 0.555 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCOCC1 1749489501 WTUYOUCTCJJFQB-DLBZAZTESA-N 442.586 0.202 30 10 ICEE CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1751195681 DUIWMVIHFCYGSG-IKGGRYGDSA-N 441.602 0.983 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1760179303 PPJJULJWUDGDDZ-KRWDZBQOSA-N 443.529 0.895 30 10 ICEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1769569065 XMSBEKWEKSQKOR-HNNXBMFYSA-N 437.504 0.779 30 10 ICEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCOCC3)ncnc21 1873596361 SULKAAAUBRHYFY-UHFFFAOYSA-N 430.490 0.879 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3nccc(N4CCOCC4)n3)CC2)cs1 1889555301 SFCHTJBCCVCUGR-UHFFFAOYSA-N 443.533 0.648 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)(C(N)=O)C1 2255864400 VQGVIQKTFQARQP-UHFFFAOYSA-N 434.302 0.519 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C[C@H]1CCCO1 543659397 WTGFMMISTGUQEW-OAHLLOKOSA-N 428.470 0.555 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2C1=O 588115906 KWYGSJSRGRTOAA-UHFFFAOYSA-N 448.483 0.727 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 729672420 NHBSKEUGOWWBCU-UHFFFAOYSA-N 432.465 0.199 30 10 ICEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 732647658 HLFWIKUDUNDTCZ-FQEVSTJZSA-N 431.562 0.646 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@H]3CCCO3)c2=O)c1 763437126 LIXXVXBUHZRQKM-MRXNPFEDSA-N 444.582 0.506 30 10 ICEE Cn1cc(S(=O)(=O)NN=C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(=O)n(C)c1=O 768367280 OSMNHFBFQHKFNW-CALCHBBNSA-N 431.518 0.545 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361041 RXQUMWKUORTPAZ-INIZCTEOSA-N 447.520 0.383 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)cc1OC 816692439 OHOXLSPTIJWURP-AWEZNQCLSA-N 427.479 0.211 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cn(C)c(=O)n(C)c1=O 819985847 RDZRUIKJRXAILV-ZDUSSCGKSA-N 433.490 0.176 30 10 ICEE Cc1ccc(C=NNc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cc1 1084456269 AVNDONKKFWVIHA-UHFFFAOYSA-N 425.478 0.994 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@H]4CCC[C@@H]43)C2=O)cc1 1140808074 FPWRAYIQNMLDTK-IKGGRYGDSA-N 430.486 0.941 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1286465456 NRSJUUICGQSWNN-KRWDZBQOSA-N 431.518 0.789 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1286786400 DRVZRALFIMJTPN-UHFFFAOYSA-N 445.487 0.921 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300538084 NIUXSLGKIRCMKI-INIZCTEOSA-N 440.508 0.836 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)CC1 1300700282 NXVJHOWGNBFENP-HOTGVXAUSA-N 441.648 0.784 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@@H](C)C2)CC1 1300706743 ROYFJBFRBKNZFB-FQEVSTJZSA-N 443.596 0.657 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)CC1 1302923992 HHZPBOXKUHACFU-GOSISDBHSA-N 432.546 0.604 30 10 ICEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@@H]1CCS(=O)(=O)C1 1310571861 RJSWHOUVMQJILX-OAHLLOKOSA-N 449.514 0.932 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C 1316206188 MCTSGAVIXLCKCX-INIZCTEOSA-N 442.524 0.684 30 10 ICEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359123325 ZCBKJQBKYNJMSU-UHFFFAOYSA-N 439.520 0.347 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359216091 OZJHAALKNGSKMR-GJZGRUSLSA-N 436.538 0.619 30 10 ICEE CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1444603335 HXKOJHFUBUGUKM-CQSZACIVSA-N 432.864 0.798 30 10 ICEE C#CCN1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1465278583 PWNVVNFISGQRLW-UHFFFAOYSA-N 431.562 0.924 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507752338 YQPBFJSVXSTWAH-QGZVFWFLSA-N 441.561 0.969 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508089840 GKCVYAASCBJKJM-MRXNPFEDSA-N 442.524 0.518 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 1509430887 CEYRDIHVXWTKJX-BBWFWOEESA-N 441.602 0.841 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540868116 SFLOLSSCSDHSLO-KRWDZBQOSA-N 440.508 0.352 30 10 ICEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1542392397 GQUWWTLDBYODCU-QFBILLFUSA-N 449.512 0.805 30 10 ICEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1555724234 IWFBGXAAVSXBAY-KRWDZBQOSA-N 441.492 0.606 30 10 ICEE COCCOc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1569863536 SFCSDVREDXDMRS-ZDUSSCGKSA-N 433.490 0.635 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595467440 UOHIRMNVJSMJJF-UHFFFAOYSA-N 447.540 0.731 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1596831106 IEMPLWFJQGQLDI-VYDXJSESSA-N 439.586 0.690 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C 1611550238 HBSLRLPMRYGIMS-PMPSAXMXSA-N 438.540 0.556 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1617709575 PSTCFZJWVHXLLV-HXUWFJFHSA-N 446.533 0.704 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCc3noc(CC)n3)cc2)CC1 1636480335 NAVZNXGUJASDNY-UHFFFAOYSA-N 433.490 0.436 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1645267892 RNNPETCNKPEKIS-AMVTXUCVSA-N 437.518 0.365 30 10 ICEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1652521653 UJMBOBKLGMPLGO-LIRRHRJNSA-N 426.539 0.372 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)C1CCOCC1 1684035953 MJBUFKHPQXRSNI-GOSISDBHSA-N 446.529 0.626 30 10 ICEE O=C(NCC#CCO)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1684765692 PLQWCDMPSJATGN-UHFFFAOYSA-N 444.351 0.546 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689978352 TYDLJVBFCCKGBN-SJORKVTESA-N 436.582 0.383 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690248775 PURHKVCKHFKBDY-PKOBYXMFSA-N 446.552 0.329 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 1705632478 RFDKBYPNURSMCG-UHFFFAOYSA-N 438.536 0.985 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)C)CC1 1705649361 UROCNZVXLLAHMM-UHFFFAOYSA-N 426.525 0.559 30 10 ICEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1705958925 NFKXCKMUTPPUKB-UKRRQHHQSA-N 449.537 0.706 30 10 ICEE CN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1710987702 CWUGSEXDBDDJGG-HXUWFJFHSA-N 427.488 0.982 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1722360987 DAZFOWFUBWEJOM-HNNXBMFYSA-N 441.517 0.757 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722726329 CGLGKEOPWXFAKH-CVEARBPZSA-N 438.554 0.677 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740623691 ZJSJAMPZYDCNQC-OIISXLGYSA-N 434.566 0.339 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1740656619 MBJZMYSYMZPODM-OALUTQOASA-N 433.578 0.490 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740889858 ROVBRXPRXQAIGV-ZNMIVQPWSA-N 442.542 0.416 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1740985563 IPZSDVPVECBMAA-UHFFFAOYSA-N 426.543 0.076 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748820965 KKVHKUMLRDBRAR-SFHVURJKSA-N 435.594 0.968 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1748844117 OUSFILBNQJQFQC-FVRICEFQSA-N 440.548 0.572 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)CC1 1748989936 DRNSNRYQQKELOD-GOSISDBHSA-N 429.569 0.220 30 10 ICEE CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1=O 1750836017 SEKCQBJTPYJQAN-CQSZACIVSA-N 449.537 0.706 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1760509999 ADEIHUYMFUIRJL-MRXNPFEDSA-N 441.554 0.919 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCc2ccccc21 1761500180 GVTLADYJPSVHIF-DKICVRJWSA-N 446.533 0.451 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1766383729 WULVUBRFDVLJRH-WMZOPIPTSA-N 437.504 0.922 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)CN(C)C1=O 1766408759 KTLRWMTWEZOKDE-BTYIYWSLSA-N 439.524 0.670 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)CC1 1889438877 LQWDBEWVZGSQBQ-UHFFFAOYSA-N 441.576 0.790 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](O)C1 2255627120 ODKPEXVCAIRTFI-TZMCWYRMSA-N 436.318 0.809 30 10 ICEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267143543 JFAIUAITZAYWNJ-UHFFFAOYSA-N 447.305 0.536 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 16984457 DUTIXLBVDQYLRD-TZMCWYRMSA-N 434.470 0.659 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 508498209 QICFTOKBLJCYCM-HNNXBMFYSA-N 426.543 0.102 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 555257863 ZGFPASXZQZKNKX-SJORKVTESA-N 441.554 0.573 30 10 ICEE N#Cc1ncn(CCNC(=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 569398592 GSCHLEHDRGOUFF-RCCKSBRTSA-N 442.479 0.745 30 10 ICEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 606631080 UTWYUWDEKHPPGL-IEEVUCOHSA-N 443.420 0.753 30 10 ICEE N#Cc1ccc(CN2C(=O)CN(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cc1 726585425 UTQAEUXJBYXSBS-LJQANCHMSA-N 425.489 0.851 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCN1C1CC1 732706808 PZACUJGANOQPJD-LJQANCHMSA-N 425.489 0.225 30 10 ICEE COc1cc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)ncn1 763785094 DLECGMYULUAHIA-UHFFFAOYSA-N 430.490 0.263 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 800775074 HHRDVVLEZMLOKH-AWEZNQCLSA-N 428.515 0.076 30 10 ICEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 803922938 FIFFCYARXQGUKH-SFHVURJKSA-N 449.504 0.603 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC23CC(CN2C(=O)OC(C)(C)C)C3)CC1 1152973764 OCAUFHOWDJPRCE-UHFFFAOYSA-N 440.566 0.778 30 10 ICEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286344343 RCBCHFFAQPFOBZ-UHFFFAOYSA-N 435.492 0.702 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(N)=O)c1 1286407984 XUKGZRHXDSDBHZ-UHFFFAOYSA-N 446.467 0.991 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(N)=O)nc2)CC1 1286470831 DGMRVFROSIBGND-INIZCTEOSA-N 427.509 0.300 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299084739 DGALORKKLGTMBM-UDJKBAMHSA-N 427.509 0.719 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)CC1 1300703167 AYZVUEBNBFREKR-UHFFFAOYSA-N 428.562 0.935 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CCO1 1315005999 BDHGXZMFVGXRLL-GOSISDBHSA-N 428.493 0.821 30 10 ICEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC)[C@H]1CCS(=O)(=O)C1 1358959288 GDFMDPZLEQLFEH-KRWDZBQOSA-N 426.506 0.958 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1359027645 QHDYIRNZZAWYPP-MRXNPFEDSA-N 443.595 0.594 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(O)CCOCC2)CC1 1359040333 PSUFGENDEGPNJI-OALUTQOASA-N 433.553 0.689 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCOCC2)CC1 1359044894 RBBJVPPHYMWRBA-SFHVURJKSA-N 431.537 0.679 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1460071272 GQJYCZAHVLYXOT-CVEARBPZSA-N 426.491 0.798 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1478737153 SHERRNXVXMLLRW-UHFFFAOYSA-N 435.550 0.649 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1=O 1503673207 CQUWFILAQILACW-HXUWFJFHSA-N 446.533 0.688 30 10 ICEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1504343509 CYBYAMSGFHZRNA-KRWDZBQOSA-N 426.477 0.965 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1507634046 WTTGMTUMJBQZBC-OALUTQOASA-N 430.530 0.949 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508239503 XBLSETDPHUYZJL-CHWSQXEVSA-N 435.510 0.458 30 10 ICEE C[C@@H]1COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1512552742 FGZWFOMKMYRMBC-VKJFTORMSA-N 426.518 0.343 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H]1c1nccn1C 1529237402 WHJNEQTVNJUGSL-JBACZVJFSA-N 436.516 0.945 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540873412 WYPZRNQTERZDTJ-UHFFFAOYSA-N 433.538 0.038 30 10 ICEE C=CC1(CC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 1542853026 WGXFWIKLLKYXQH-AWEZNQCLSA-N 429.539 0.561 30 10 ICEE N#Cc1cn(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(=O)nc1O 1544434455 JSUDGGOXTIOZSY-UHFFFAOYSA-N 437.378 0.992 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1548335307 PTKAFWASCRBZPK-UHFFFAOYSA-N 431.522 0.472 30 10 ICEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555993824 CERZSMKLSWBVEK-SFHVURJKSA-N 445.545 0.732 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1565589852 BEMIPRIVUBRNGW-VGOFRKELSA-N 436.553 0.733 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1568075886 BLYNPLUYIYHXHY-SLBVQIDZSA-N 439.434 0.960 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1587932634 XQGSDKADXNKXRN-UHFFFAOYSA-N 430.534 0.791 30 10 ICEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)nc2c1 1611972760 APUCXVNJUMSKGO-GOEBONIOSA-N 444.521 0.622 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1612886697 PFMUEZSJUAYGEO-DXQAYGFFSA-N 443.508 0.656 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1628146968 UERSHEPNBUVSLA-HXUWFJFHSA-N 442.516 0.308 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnc(I)c(O)c1 1632875497 RVEBZYMGLGJIDL-KAMYIIQDSA-N 428.186 0.648 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1633091077 WZHQLTOYVCMQMY-QGZVFWFLSA-N 445.501 0.400 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)ccc1F 1635448079 ODHDWDWGUVCLNN-ZDUSSCGKSA-N 434.515 0.078 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689989533 GNBDRZJFBUKHPK-CBBWQLFWSA-N 430.527 0.337 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690248767 PURHKVCKHFKBDY-HKUYNNGSSA-N 446.552 0.329 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690658846 BNDMJIBTMSZLLR-HUUCEWRRSA-N 438.492 0.475 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690677882 CYVNGIRLSQHBHD-IIBYNOLFSA-N 434.541 0.678 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1692541071 VKDLETOIELBFDG-ROUUACIJSA-N 431.541 0.788 30 10 ICEE CN1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1696881326 DALFQEREGUVVEP-KIJUOZEOSA-N 429.481 0.325 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1705598606 MKMNREOUBRAGOH-PMACEKPBSA-N 446.621 0.669 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cn[nH]c2)CC1 1705645311 PZPCEMTXYONMDQ-QFIPXVFZSA-N 441.536 0.862 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nnc(C)s2)CC1 1705647653 KCAFGSJPKDLUOX-HNNXBMFYSA-N 442.549 0.598 30 10 ICEE CS(=O)(=O)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712694447 QGYOKZZQHLCPKX-HNENSFHCSA-N 448.549 0.770 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722368165 PFVGUNJFWBWLAR-OACFQNQOSA-N 426.564 0.320 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCO[C@@H]2C)n1 1722430074 WHOZJOLXYAUKTN-JBYIUTFZSA-N 444.536 0.805 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722630174 WXUFKEIYUVGBMK-HOTGVXAUSA-N 425.555 0.865 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1730095320 HBFLQQFLCSDQQZ-QGZVFWFLSA-N 435.506 0.744 30 10 ICEE COCC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730652012 PNYGZTGNZGUZJH-QFPXGYFVSA-N 445.524 0.806 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740942833 MJNOKKBFOZEUTG-CYBMUJFWSA-N 434.588 0.325 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1740958509 CBRATWJKRASKOR-UHFFFAOYSA-N 443.508 0.613 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740989640 TYKTYQMLAHBJAK-UHFFFAOYSA-N 449.581 0.095 30 10 ICEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1748734395 CPPBSHHMTPSQAU-MRXNPFEDSA-N 430.534 0.920 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1748990325 HAVOQPWGZYDFFV-PMACEKPBSA-N 442.612 0.258 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1750075593 GKFYIWINNKPLFY-QLFBSQMISA-N 428.584 0.960 30 10 ICEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766590049 ULHKSYYIMVZIAN-INIZCTEOSA-N 427.513 0.506 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1769379677 FODUMJRINSAXSJ-INIZCTEOSA-N 434.522 0.751 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593635 KSGFQZHZZBEOOB-KSZLIROESA-N 445.516 0.359 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2248480597 YZIPSFFJRSCVFD-CQSZACIVSA-N 442.343 0.675 30 10 ICEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267091775 KKYONWWZLKJVQT-UHFFFAOYSA-N 449.317 0.161 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4ccc(=O)n(C)c4c3)CC2)c1C#N 427384842 PWLBFJMALZKIOF-UHFFFAOYSA-N 433.472 0.739 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 479878269 AOXZYNCQCXWRKN-UHFFFAOYSA-N 434.504 0.521 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCN1C1CC1 732706972 SKSSLNCPHUYMCD-SFHVURJKSA-N 431.518 0.059 30 10 ICEE N#C[C@H](C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)N1CCS(=O)(=O)CC1 732908357 JIYPMDXILHYIRZ-CQSZACIVSA-N 447.494 0.314 30 10 ICEE C=CCn1c(C)nnc1N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 800783139 OASRBVVIDGGRNS-UHFFFAOYSA-N 439.563 0.995 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)CC1 849520794 ABGIKIPBPLUAFZ-NHCUHLMSSA-N 428.581 0.518 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCN1CCOCC1 917770112 XCIJZUPDYDFWFQ-UHFFFAOYSA-N 444.520 0.726 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 1152967801 QDFYEVWNDXCKAR-LJQANCHMSA-N 432.590 0.941 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1174883113 OCMVPAYXKYCMPA-UHFFFAOYSA-N 443.928 0.772 30 10 ICEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286676106 HNZJELGFTKPVAC-KSFYIVLOSA-N 446.552 0.680 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1286789428 GOPKOCFXIHVBQO-GOSISDBHSA-N 437.504 0.604 30 10 ICEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300754676 VRKWGGHVNQOEDU-UHFFFAOYSA-N 443.577 0.823 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301577956 VIOLXOQUHAAJGY-MRXNPFEDSA-N 437.522 0.789 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1320673017 IFYXTRVMCHXZHM-ICSRJNTNSA-N 442.516 0.927 30 10 ICEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1323727518 GUSMNRFDKUBZIU-KRWDZBQOSA-N 438.506 0.705 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCOCC2)CCO1 1505322750 AUDSHIFPMFRYMY-KRWDZBQOSA-N 428.468 0.986 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1507746004 ITYXBOSPWYWOSB-HIFRSBDPSA-N 428.584 0.360 30 10 ICEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539710359 QEWHUNNGLIQGTQ-UHFFFAOYSA-N 437.508 0.307 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O 1540867129 LOEHPRMOASDHIE-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1554796026 DODJGQKKJMVKGH-INIZCTEOSA-N 436.494 0.240 30 10 ICEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555485091 DZIFANCCQNSJNS-MSOLQXFVSA-N 430.557 0.374 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCOC2)C1 1555812238 BOXQMCSLZMRPOI-IAGOWNOFSA-N 438.554 0.778 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595496699 DWIKVDJAAWOHTP-JOCHJYFZSA-N 440.504 0.981 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1595577263 MYVOBVYRZSZBJM-SFHVURJKSA-N 442.520 0.727 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1596752458 UQMJMLMXBZFVHT-UHFFFAOYSA-N 425.493 0.957 30 10 ICEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)C1 1620611559 XNGOTFQRTSTTMR-MDKPJZGXSA-N 436.578 0.354 30 10 ICEE COc1ccc(N2CCN(CCCNC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1628842525 DJFXHWYEVBNMOV-UHFFFAOYSA-N 440.504 0.548 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1636546227 MCRXZCMRODFPRM-JKSUJKDBSA-N 445.563 0.982 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1644447946 YATYMLGYROANCL-IOUSMJBWSA-N 438.484 0.933 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]([C@@H]2CCCO2)C1 1652402122 NIZUAODFFUZVSS-NXHRZFHOSA-N 435.502 0.796 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1689987877 DTCFWVWQXJCHHC-DYESRHJHSA-N 444.561 0.342 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705736004 ICVLVCKRJVTBEG-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705900926 ULCGPRFFYJEWGH-JKSUJKDBSA-N 442.524 0.405 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722359073 POFBFBNBVYNWSY-INIZCTEOSA-N 434.497 0.625 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CC)C1 1722719780 ZRKFHLRHHFBDBU-MDZRGWNJSA-N 443.570 0.553 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722727365 NRNNAGPLLROYSW-HNNXBMFYSA-N 445.611 0.864 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)CC)CC1 1740708605 VYSGDDMORPLWHI-UHFFFAOYSA-N 440.552 0.584 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1COCCO1 1741663427 QXPFZXKGBLENSK-INIZCTEOSA-N 441.492 0.757 30 10 ICEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1747607095 FEQJCMIDNQUDER-UHFFFAOYSA-N 434.522 0.847 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1748791516 USEXVIUSLQUEGC-HOTGVXAUSA-N 433.538 0.140 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1760117666 RXJFQLICMJFAFF-WBVHZDCISA-N 447.565 0.578 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760127243 UNJVEIMKHYMVDC-QZWWFDLISA-N 425.555 0.742 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1760554347 APFGPUIUJARIJQ-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NCC(F)F)cn1 1769004466 GCOCTGHATMVQSH-UHFFFAOYSA-N 443.418 0.595 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1772567224 YOLJHBKJVOCPJQ-KRWDZBQOSA-N 447.540 0.396 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)[C@@H](C)C2=O)CC1=O 1854141547 CBGPOSREMVDGJH-LSDHHAIUSA-N 437.493 0.917 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)[C@@H](C)C2=O)CC1=O 1856325311 AYYDEMYJVGQQTM-FUHWJXTLSA-N 433.530 0.653 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267605186 SRMPLQUAIXEWJO-UONOGXRCSA-N 448.329 0.876 30 10 ICEE Cc1cc(N2CC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 434424466 ZRSKCWGKNCKFKD-SFHVURJKSA-N 428.518 0.712 30 10 ICEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)n1cnc(C#N)n1 538412293 RVXPFVPOAQHVNX-SNVBAGLBSA-N 428.396 0.661 30 10 ICEE N#Cc1cccc(N2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)n1 546212552 BJLVWUOZXIBGBT-UHFFFAOYSA-N 442.545 0.472 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](c2ccc(OC)cc2)c2nccn2C)C1=O 550618425 MTPVKVMLLGJQOH-QZTJIDSGSA-N 425.489 0.880 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 769104489 CXHOLLWSDKSTQL-ZEYQEJGOSA-N 427.505 0.695 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)ccc1F 794247454 BKZWPAQUPGJLKU-IFXJQAMLSA-N 426.466 0.942 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC1CS(=O)(=O)C1 1116725352 ZGAVWAXOLUEQKT-UHFFFAOYSA-N 427.548 0.836 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 1152967507 JTSRMEIJBSZZAW-UHFFFAOYSA-N 433.530 0.881 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300559506 RDHDJCUATZRETR-WIYYLYMNSA-N 449.577 0.817 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301481755 OZTZKNIIZIBFDE-AUUYWEPGSA-N 442.586 0.832 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1301766093 CTIMJSOTRVKVSO-INIZCTEOSA-N 438.536 0.681 30 10 ICEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](CC#N)C(F)(F)F 1303849832 WFCZUDQYIYPLMG-CHWSQXEVSA-N 441.453 0.729 30 10 ICEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCCNS(C)(=O)=O)C2 1304774629 LFAIJKNQNBNFDD-UHFFFAOYSA-N 441.521 0.676 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1308058153 FGVCUTBMMZEABE-QFBILLFUSA-N 437.541 0.406 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1316530162 HBDGUPNQHMASOE-CQSZACIVSA-N 448.409 0.709 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358992501 NJFHXRIPXMZBFC-MRXNPFEDSA-N 442.520 0.986 30 10 ICEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359227114 TVBDXMVRGLRWTQ-UHFFFAOYSA-N 429.529 0.864 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1=O 1461669670 NTAFLHPGQYJPSV-CYBMUJFWSA-N 436.465 0.248 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1507631666 FUWLVQDCJMZWCI-RDJZCZTQSA-N 440.591 0.997 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507731311 FNFXAKGEHNSYGH-UFVMTTLYSA-N 439.520 0.454 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507952940 CBWKAZBKDBGNMO-HZPDHXFCSA-N 445.611 0.912 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 1534342668 WTVCNYTVLQVTCY-GOOCMWNKSA-N 434.518 0.954 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1539368986 GETMKXPDCNBCDT-ZACQAIPSSA-N 425.555 0.743 30 10 ICEE CC(C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541374264 FWTJBABRZHGGOD-GAYUIZRLSA-N 427.509 0.890 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1541946519 WZFXEKVBBPKSDS-KDOFPFPSSA-N 446.533 0.738 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2CC(F)(F)F)cc1 1555988547 GMAWKUMIPVATMY-UHFFFAOYSA-N 446.397 0.714 30 10 ICEE CC(C)CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1558510779 AYWHCJIZILQGDA-YJBOKZPZSA-N 425.532 0.631 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)cn1 1565331660 ODRZIWWGIQROJQ-UHFFFAOYSA-N 435.488 0.217 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588046095 XACPLIQCGKLRQV-WBVHZDCISA-N 444.561 0.825 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1594812542 HEYRWWFPXMMKOJ-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1595790436 LRVQDETZTSHCIN-OAHLLOKOSA-N 437.522 0.907 30 10 ICEE C=CC1(CC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CN(C(=O)OC(C)(C)C)C1 1625261270 IQMVOVWHIHDVHK-UHFFFAOYSA-N 448.524 0.288 30 10 ICEE C#CCN(C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1628819550 BQWKINKVVFQJNL-IKGGRYGDSA-N 427.567 0.728 30 10 ICEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]2CCCN(O)C2=O)cc1 1636546225 MCRXZCMRODFPRM-HOTGVXAUSA-N 445.563 0.982 30 10 ICEE N#Cc1cc(Br)cnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1655214653 LDFVXKXFGCBXKK-CYBMUJFWSA-N 449.352 0.355 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1663336798 HHSLMCYSDFLUBE-UHFFFAOYSA-N 440.956 0.490 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689930000 IYCMSZWTQXCXHY-JKSUJKDBSA-N 448.549 0.360 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1690041686 DKVUVKCCVGOUSR-UHFFFAOYSA-N 439.501 0.911 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705558975 NLZDQILDIYOQFT-QGZVFWFLSA-N 447.565 0.605 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1705597443 GARAXSBDMHDQAU-IBGZPJMESA-N 448.593 0.560 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)C1 1705926096 YLLYHJHOBQGUGM-HOTGVXAUSA-N 441.554 0.429 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1722384888 ZEDPSZUDGQIEPH-KRWDZBQOSA-N 435.513 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)C)CC1 1722448506 DAAICJOFFFERIK-UHFFFAOYSA-N 448.531 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC2)CC1 1740703582 XULYHOMOIRLIQI-QHCPKHFHSA-N 444.580 0.992 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1741801453 ASAQVCICKDTAAR-OLZOCXBDSA-N 425.540 0.854 30 10 ICEE CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1746949676 IFSMQQIEXPABRF-ICXUMSERSA-N 440.570 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1748672534 UYFXPNXSORGUCR-ZSZQSSIHSA-N 425.555 0.884 30 10 ICEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749508090 ISGXRJKZYYTUQJ-RTBURBONSA-N 426.539 0.635 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760143306 BXOHWEFUEHWKSZ-QGZVFWFLSA-N 437.566 0.958 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1760206279 VFSKMZWKFJEPDC-SFHVURJKSA-N 429.502 0.803 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1760219500 GLAQGTBIADMJGN-HNNXBMFYSA-N 449.562 0.282 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)CC1 1760257268 SDZLXSZJLWLFNG-LJQANCHMSA-N 425.555 0.119 30 10 ICEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765562275 KMTFSMYYSNDOLV-ROUUACIJSA-N 430.557 0.376 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1767864323 QCOOQYCGLKIPDC-UHFFFAOYSA-N 432.506 0.927 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1769122548 UKJIGUCDBXKHPN-CQSZACIVSA-N 433.538 0.574 30 10 ICEE [N-]=[N+]=NCCOCCN(CCOCCN=[N+]=[N-])C(=O)CCC(=O)ON1C(=O)CCC1=O 2049382348 HTNAEMBVOSUAIP-UHFFFAOYSA-N 440.417 0.856 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630659 NEWGSTHCOJLMAK-OLZOCXBDSA-N 436.318 0.809 30 10 ICEE Cn1cc(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 2255653291 GZEAOUAIBKKMGZ-KGLIPLIRSA-N 436.318 0.429 30 10 ICEE C=CC[C@@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524913 OYXYNXDPIUUQEV-VQIMIIECSA-N 428.507 0.949 30 10 ICEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105797349 XFSFWVKEQHYDEN-UHFFFAOYSA-N 429.502 0.840 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 475106781 CRWKDIAWVLJZAS-FQEVSTJZSA-N 426.477 0.217 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 480864195 HSMOFKSQJVEWDB-GOSISDBHSA-N 427.548 0.933 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 496520410 PLTIMQYMBXIVIU-UHFFFAOYSA-N 448.545 0.381 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 508938565 KUJMVZAJXFMDCL-RCJHGTSTSA-N 441.554 0.570 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 549670146 WBSBZFUTXQFAFO-HNNXBMFYSA-N 427.527 0.577 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)C1 619852801 CDZKTJWYCUASGJ-TXPKVOOTSA-N 438.554 0.920 30 10 ICEE CN(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C1=NS(=O)(=O)c2ccccc21 916777943 XWLKQDPOXYGITB-UHFFFAOYSA-N 432.483 0.585 30 10 ICEE CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1136751799 VROHXOUBYXBBMU-CQSZACIVSA-N 427.324 0.907 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286347027 FWWSDASSNBEQSO-OAHLLOKOSA-N 428.497 0.494 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1296605641 IEUARRFNFZSUGS-UXHICEINSA-N 429.456 0.914 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCC2=O)CC1 1300680842 FYRZLMHWVLMYCC-UHFFFAOYSA-N 427.553 0.672 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1315032938 FCGLQERTIBZEPZ-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1358949104 SNZDMRCXOBSVEV-KRWDZBQOSA-N 435.554 0.666 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1359060115 KSGPAGDDWWMKPU-UHFFFAOYSA-N 425.580 0.780 30 10 ICEE C#CCN(c1nnc(C)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507624542 BHNPLWPREUWZGM-GOSISDBHSA-N 433.509 0.711 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507632184 JOAYPTUMLQXGNE-IRXDYDNUSA-N 428.518 0.494 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nccnc2-c2nc3ccccc3s2)CC1 1558073419 RVOKERGROSXYLW-UHFFFAOYSA-N 442.526 0.979 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588034707 KSMNKNBPGGYBME-YLJYHZDGSA-N 448.549 0.523 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588035630 WHLMLDSINJBSQH-XLIONFOSSA-N 448.549 0.339 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1588074949 UTHGWWSNDTUVKO-QZTJIDSGSA-N 437.566 0.700 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1588228099 AQVVYIUQDOLOAY-QGZVFWFLSA-N 431.562 0.950 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1588595692 YOHXUOTXKSJYMJ-IERDGZPVSA-N 448.545 0.975 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)CC1 1622498361 GMNIHRPHURCIHG-UHFFFAOYSA-N 428.536 0.055 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2ncc(Br)n2C1)c1cc[nH]n1 1637341037 QCDZQCAKRCWYIU-SNVBAGLBSA-N 439.270 0.784 30 10 ICEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c1 1637512835 HEDCJTANKPFPNR-LBPRGKRZSA-N 439.428 0.274 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1(F)F 1640636280 AACXWHUEAPGDRM-VXGBXAGGSA-N 425.392 0.610 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 1675057855 KZVANVXXMJKREY-UHFFFAOYSA-N 426.495 0.007 30 10 ICEE C=C[C@H](COC)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1680389637 NUHKZCQOCOSAGW-MRXNPFEDSA-N 439.538 0.135 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1690117566 MAMIJEFCBVNJFJ-UHFFFAOYSA-N 432.550 0.600 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705516614 FSPSLAKMMPLXEE-JKSUJKDBSA-N 428.580 0.997 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1705568420 NFENCPPQCBFBRM-MRXNPFEDSA-N 432.506 0.372 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1705569650 IZKYISALUHUISF-KRWDZBQOSA-N 432.554 0.714 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705932383 SBNXYIGVQHQYMU-INIZCTEOSA-N 431.522 0.497 30 10 ICEE CCc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1709117217 CMBJYVSNRCKDJG-QGZVFWFLSA-N 434.522 0.984 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1722292516 ABEMTPPKBAUSRM-DOXZYTNZSA-N 437.522 0.570 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCN(C)C1 1722423769 OEWVWUNBVXFQGC-JOCHJYFZSA-N 427.505 0.869 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722492451 SOLSEVREOGEOAV-AEFFLSMTSA-N 429.529 0.718 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722705323 CVIIIFOQAFNOLN-OAHLLOKOSA-N 449.533 0.791 30 10 ICEE CCS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1729218612 BWYHMNGEVRMKLD-LJQANCHMSA-N 437.570 0.860 30 10 ICEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740674552 LDQIWHQNTURGTN-HXUWFJFHSA-N 429.502 0.738 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(C)c2C)CC1 1740825822 UXHUUBILFPWERL-KRWDZBQOSA-N 435.554 0.858 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740989616 SMHUPPJNODWKRA-CVEARBPZSA-N 432.550 0.847 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1748958721 HIFAAGVEVPMGLQ-UHFFFAOYSA-N 443.533 0.655 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C)CC1 1749015997 VYUGLZBUIJSLBT-UHFFFAOYSA-N 426.525 0.194 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1750075591 GKFYIWINNKPLFY-ILXRZTDVSA-N 428.584 0.960 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760186516 OCZGTYOTBNKVHE-IAGOWNOFSA-N 442.607 0.928 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cc[nH]n1 1760290148 XQGPJSLFKVVSIX-FZKQIMNGSA-N 434.526 0.034 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=CCC1 1770832826 JLSCYJDFAICQBR-DCOQFNDQSA-N 432.506 0.473 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255594007 AHXWKSFYJTZPGJ-ZDUSSCGKSA-N 436.318 0.763 30 10 ICEE CN(Cc1ccccc1)C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2269045249 IZNWTSKHCBSORD-HNNXBMFYSA-N 443.313 0.429 30 10 ICEE C#CC[C@@](C)(CO)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270496656 PVMVPXLHKCKZJG-QFBILLFUSA-N 426.491 0.396 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286046498 CAEGUFUJXQSCTG-QZTJIDSGSA-N 437.518 0.471 30 10 ICEE COc1nc(N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786242 IQBLBRIUHBKLNO-UHFFFAOYSA-N 448.329 0.958 30 10 ICEE CC(C)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(C(=O)[C@@H](O)CO)CC1 208088251 MRLAQOVFEUFISI-KRWDZBQOSA-N 434.346 0.335 30 10 ICEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cc1 440760023 MBCSEXKRIRNYBN-UHFFFAOYSA-N 426.481 0.704 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 460800444 CGVSUKDFDYHGAM-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 460808902 KIRNEHMDMJWRPM-CABCVRRESA-N 449.599 0.447 30 10 ICEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cn1 608884330 FFXBVAGCHJBBRC-UHFFFAOYSA-N 448.504 0.664 30 10 ICEE CCN1CCN(c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2F)CC1 777317461 DLIWUKPHAIGGBG-INIZCTEOSA-N 436.509 0.547 30 10 ICEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2=O 1134424703 USFBQNXSPALVAO-LHHVKLHASA-N 436.534 0.520 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286353427 WENFNXKOLBLVFF-ROUUACIJSA-N 447.565 0.201 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286383501 WZLVBUBKVAYMOK-SJORKVTESA-N 436.582 0.527 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286786362 CLMMGUVHIBBQGU-QGZVFWFLSA-N 425.497 0.391 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286798368 JYVSMGHHYDXQGS-HZPDHXFCSA-N 440.570 0.622 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1290343720 RTUMLJMDNVKYRS-KRWDZBQOSA-N 433.465 0.403 30 10 ICEE CCOCc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1297112203 FEEGTCAGWJHNHV-HCVWZLJQSA-N 430.509 0.938 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1299094350 CYJUYOUTJLSILW-INIZCTEOSA-N 435.492 0.868 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1314638807 KKOTZWKEZRHXOJ-FQEVSTJZSA-N 428.518 0.920 30 10 ICEE Cn1cc([C@H]2C[S@](=O)CCN2CC#CCN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cn1 1322922608 LWVKYGUVIGDGJC-GBJTXXJHSA-N 448.618 0.068 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359039525 MHOGTGCIBFABQB-INIZCTEOSA-N 430.475 0.833 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507638842 TUEDGIVJBLXJHZ-QGZVFWFLSA-N 439.582 0.552 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N2CCOCC2)C1 1508132660 YHFNHUKOFYHXHB-SFHVURJKSA-N 429.525 0.780 30 10 ICEE CCN1CCN(C2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)C1=O 1515925911 HFGLPDWTMCJWDC-VHEBQXMUSA-N 442.524 0.839 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1518642570 DVOSAQCLKFOKSC-OPAMFIHVSA-N 440.504 0.652 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1539324252 RXUOTKIJVATCHU-QGZVFWFLSA-N 438.575 0.468 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540877247 OVKOLDLOOYEICI-QGZVFWFLSA-N 431.541 0.176 30 10 ICEE CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O 1541563577 SDNLRNYDIZINNI-OAHLLOKOSA-N 446.533 0.998 30 10 ICEE C#CC[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OC 1556971244 SZPOQFRTLCNVLK-MAUKXSAKSA-N 438.502 0.832 30 10 ICEE C#CCN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1586493840 JVKCZNBAMDFYDU-GOSISDBHSA-N 435.546 0.396 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1588053517 FJYXRSMIEXPFBJ-SJLPKXTDSA-N 449.577 0.858 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1588109580 IRYMAJYKVLCGMW-UHFFFAOYSA-N 441.455 0.903 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1623669298 NQODJVVBENROHI-KRWDZBQOSA-N 449.920 0.595 30 10 ICEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 1627811000 WFCYKKLNUOQFKP-AWEZNQCLSA-N 445.950 0.988 30 10 ICEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C(=O)OC 1638826235 IKBMRRIYERLBJT-HNNXBMFYSA-N 440.474 0.019 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 1643372217 BGLCZJBHPOKNJJ-AZUAARDMSA-N 448.545 0.217 30 10 ICEE Cc1ccc(CN2CCCN(C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)CC2)cc1 1652167382 QLBFWPAGSTWDPR-UHFFFAOYSA-N 439.516 0.225 30 10 ICEE C[C@@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1683834222 QXVONEJTCKUQAU-GDBMZVCRSA-N 440.547 0.540 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1689966341 PJKFLSLMMJWGCN-KRWDZBQOSA-N 445.545 0.765 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(C)(=O)=O)CC1 1690140172 OZWRUODKRCQZBP-UHFFFAOYSA-N 445.545 0.964 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 1690464818 KXQVTUJRKNBNFD-HZPDHXFCSA-N 440.570 0.682 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1690622060 GXKBJEHXBWAPIR-QFBILLFUSA-N 443.570 0.819 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1705937993 KJZISGKBNGGNJX-HNNXBMFYSA-N 438.554 0.093 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCCc1ccccc1 1722280751 WPIPLEIIRIGNSN-HOTGVXAUSA-N 432.550 0.705 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722363965 IUPWBNAANHJBNS-XLIONFOSSA-N 449.533 0.902 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1722783120 SUSQSTSIIGEWMU-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1723478046 GRGNSUWYUGUYTF-IKGGRYGDSA-N 441.602 0.983 30 10 ICEE COC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730566193 YRKSNERLVMAPGU-UHHPSXQGSA-N 443.508 0.513 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740626116 SDUNQMYMEYIUAC-SFNQZPIRSA-N 447.586 0.802 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1740794716 GTHMUFOJSNOJTN-HZPDHXFCSA-N 425.555 0.865 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740960405 QVXPDXRYDUHHTP-SJORKVTESA-N 437.566 0.735 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1748979784 MTNALIWPGGVIFJ-UHFFFAOYSA-N 439.545 0.607 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1749681925 KVFOVCIJWGTAKF-HXUWFJFHSA-N 434.497 0.311 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749721582 OIXPEZLEVPEWIB-AWEZNQCLSA-N 447.583 0.031 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CCO1 1750023046 IMAJZAVUXHTJMS-KRWDZBQOSA-N 427.465 0.255 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760525821 SOEUXDNVLXLDHW-UHFFFAOYSA-N 447.565 0.426 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2CCC(COc3cc(C#N)ccn3)CC2)n(C)c1=O 1891335906 KIFJAGRPFJWMAT-UHFFFAOYSA-N 437.460 0.018 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2255807270 QXPJZFWWPSHELM-HXUWFJFHSA-N 438.334 0.725 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 460558662 XRZRUEGXCQYOPW-MRXNPFEDSA-N 436.586 0.910 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508936026 QIFZNHRGZQNDQA-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(I)ccc2O)C1=O 610491124 SRXHYSLLVHIIKY-UHFFFAOYSA-N 429.170 0.912 30 10 ICEE N#CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 741790229 CHRAFLCZKQKYMV-KRWDZBQOSA-N 440.953 0.663 30 10 ICEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746746188 QNGYQVWPOPBSGE-YVEFUNNKSA-N 428.445 0.406 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 747337945 YHINKIBAZAHTKL-KRWDZBQOSA-N 443.529 0.809 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 780129906 FDSWFGDGQXURTA-ATZDWAIDSA-N 433.486 0.359 30 10 ICEE Cc1ccc(C=NNc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2N)cc1 1084566708 RDUUVFNENUPEKU-UHFFFAOYSA-N 440.493 0.182 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1141378154 MKGXMVLUVYDVNU-LBPRGKRZSA-N 448.295 0.190 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 1150000512 MFDWVFZYBMCKDB-UHFFFAOYSA-N 435.325 0.373 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 1188700322 KOMXIWPVCVVXSG-GOSISDBHSA-N 439.394 0.804 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286356985 WXJGRTBVDSMZLC-KRWDZBQOSA-N 427.553 0.603 30 10 ICEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1299690544 GNLYDKIJINJFLE-XHSDSOJGSA-N 442.542 0.011 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300722326 ISJUKAXNGSMHSH-NXHRZFHOSA-N 428.537 0.746 30 10 ICEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1301480746 DPRGYPAVZVMESC-UHFFFAOYSA-N 428.522 0.280 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)CC1 1302923752 DIZSVLAIRUSNMN-UHFFFAOYSA-N 438.460 0.138 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1358964194 VGEAMPZOBODOTN-CVEARBPZSA-N 444.579 0.234 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359056716 KDSPBIMKKIYYME-HZPDHXFCSA-N 432.550 0.915 30 10 ICEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1439618154 VRDVJLXXMADGCW-FIKGOQFSSA-N 431.514 0.701 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C(=O)OC 1470031931 BIUKEFUPPFWOGJ-BRWVUGGUSA-N 428.445 0.263 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507628508 WWDLEXAWZACDLI-FUHWJXTLSA-N 438.550 0.976 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1516797150 SZNHLKQWMFTREL-NXVVXOECSA-N 438.554 0.973 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCO[C@](C)(C#N)C1 1538844245 LOVNOVHJJKDXCS-HXUWFJFHSA-N 436.534 0.776 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1541926863 ZQOISHOXKIGSIO-UKRRQHHQSA-N 437.570 0.933 30 10 ICEE CCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546461784 HAIMBVPINBMSRF-IGCQWYOMSA-N 429.525 0.668 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CCO1 1555994794 ZCFXNFZEXLLYBV-AWEZNQCLSA-N 432.431 0.735 30 10 ICEE C#CCN(C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1565049696 IMKUJLCIOXLENG-CVEARBPZSA-N 429.539 0.843 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N1CCSCC1 1588433805 SZYTVVXZDGNNHT-UHFFFAOYSA-N 440.595 0.239 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 1588836515 KUOAVKGMXVQXSA-QGZVFWFLSA-N 446.458 0.927 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 1622498223 AUKFXKQUAFWLDA-UHFFFAOYSA-N 425.454 0.788 30 10 ICEE CC#CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1640793931 HAUJGGBSYYJITD-AWEZNQCLSA-N 445.335 0.974 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(C[C@H](O)CNC2=O)C1 1644584433 MYOJEJZLIIDHME-LBPRGKRZSA-N 438.278 0.808 30 10 ICEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1647796998 OMSOPUFEBXOMMN-SJORKVTESA-N 426.477 0.978 30 10 ICEE N#C[C@]12CN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1648501376 ZVOUUJUYLIBSQQ-LAUBAEHRSA-N 436.578 0.544 30 10 ICEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)O1 1649588246 DIZMNLMKVDPQRZ-ATNYBXOESA-N 426.543 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCCC2=O)CC1 1665527763 GEFQVOURUDJRMW-UHFFFAOYSA-N 433.534 0.104 30 10 ICEE CN(C)c1ccc([C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1676653802 XZWZMEDXOPINMF-SFHVURJKSA-N 425.493 0.756 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1689852540 GZTRNCZZRALTQV-WBVHZDCISA-N 448.549 0.911 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1711236783 IRROMDXKIPUAQL-WUKNDPDISA-N 438.554 0.874 30 10 ICEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722334006 RFZKWPDOBPUMAN-IBGZPJMESA-N 430.553 0.914 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1722362897 CXJCDCBJANEPAF-HOCLYGCPSA-N 430.534 0.961 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 1748991019 OPGRXBPCHXCGMY-GOSISDBHSA-N 427.553 0.777 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748992980 LWRWPHUPNNWLOU-LJQANCHMSA-N 437.548 0.514 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1760194786 QKPPGCYGYAAHBN-INIZCTEOSA-N 438.517 0.590 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CC3CCCC3)C(C)(C)C2=O)CC1=O 1856057621 HLWFGMNCLGWXST-INIZCTEOSA-N 425.551 0.990 30 10 ICEE N#Cc1cccc(NC(=O)COc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c1 1865838218 VLNYDCDNRZXEHR-HNNXBMFYSA-N 432.392 0.977 30 10 ICEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230475 BJDDGYKNDQXASS-UHFFFAOYSA-N 449.519 0.918 30 10 ICEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2256056874 FSFMPXYPECOJKM-WDEREUQCSA-N 426.204 0.763 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267172545 BYCNHRJAUHMGGC-ZFWWWQNUSA-N 448.329 0.733 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(=O)N3CCCC3)C[C@@H]3CCCO3)CC2)o1 464803230 WVBHSJIQRJRHCV-SFHVURJKSA-N 444.536 0.607 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 499271603 JJZABHIEURFRIN-OAQYLSRUSA-N 435.528 0.869 30 10 ICEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CSCC(=O)N2CCOCC2)cc1 503729163 QPVMGEQHYDPXAK-INIZCTEOSA-N 434.543 0.990 30 10 ICEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 761271230 KKDUQTMJXYGMPQ-CQSZACIVSA-N 428.536 0.818 30 10 ICEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1 782897825 JSTYLNIYPKNEQN-MRXNPFEDSA-N 444.565 0.972 30 10 ICEE C[C@@H](C(=O)NS(=O)(=O)c1ccccc1I)n1cnc(C#N)n1 798826434 URUPQPIDAPVQLC-QMMMGPOBSA-N 431.215 0.820 30 10 ICEE CCN(C[C@H](C)C#N)S(=O)(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 800047325 JSFXPHPKIIORES-SNVBAGLBSA-N 445.347 0.227 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1Cl 1130149340 HKAOEELPGUOAMV-KUHUBIRLSA-N 437.905 0.981 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1286431780 RLCXPGMPBLVZDT-LJQANCHMSA-N 446.577 0.336 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1286547140 NJFQFGWXOUORGT-HWMZRRJGSA-N 440.570 0.536 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286820810 SCPJJOSFGRAJDA-OAHLLOKOSA-N 446.595 0.786 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1300538091 NMNCVUVNDNFVOB-GOSISDBHSA-N 428.518 0.436 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301500908 QVVMOMYOCPVSQP-IAGOWNOFSA-N 432.525 0.650 30 10 ICEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301607960 VSDXZHYDWHFCJP-IBGZPJMESA-N 438.536 0.999 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CCO1 1315006529 FIHAWULDYLYTLZ-SFHVURJKSA-N 449.471 0.791 30 10 ICEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358922344 BPULILRNBIPOEV-MRXNPFEDSA-N 428.518 0.976 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358956839 LIPKSAWHXCNFPW-ZWOKBUDYSA-N 440.566 0.839 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359227738 KQHARNDHPOANPC-OAHLLOKOSA-N 448.549 0.429 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1469007018 AVCDUNPRANKBTG-UHFFFAOYSA-N 434.562 0.125 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3CC(=O)OC)n[nH]2)c1C 1471015062 ZWGUSMUNAYPPGN-AWEZNQCLSA-N 435.506 0.878 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632636 OOTLSWIBSAXMMF-BZSNNMDCSA-N 448.593 0.588 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1COCCO1 1510185343 CTEMODZUCBDIMQ-ZBFHGGJFSA-N 426.543 0.824 30 10 ICEE CC[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512793879 XATMWRWSYPGWCF-IAOFPLEJSA-N 436.538 0.941 30 10 ICEE CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515112170 HWWQMALJCLOHTB-HZPDHXFCSA-N 439.524 0.685 30 10 ICEE CCN1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1515941083 RBDSZNNQAIKPEM-LJQANCHMSA-N 444.584 0.547 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)C1 1521062243 BGDJAYWLVNDQBF-FRQCXROJSA-N 440.545 0.469 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncn(C)n2)CC1 1539469213 OSWHXNZVSUBKMM-OAQYLSRUSA-N 442.524 0.073 30 10 ICEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCS(C)(=O)=O 1543329108 OQYWUMIZTVFRTA-UHFFFAOYSA-N 432.550 0.842 30 10 ICEE COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555381570 ONYPGWFYZSZTRU-WWGRRREGSA-N 438.510 0.641 30 10 ICEE C=C(C)C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1589370786 FZLGSLULYIMJLI-MRXNPFEDSA-N 425.507 0.681 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1589664386 ZPTNXADHGDQOSS-MAUKXSAKSA-N 429.543 0.165 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595405151 FPGAWSYXVFRRLN-QGZVFWFLSA-N 436.582 0.501 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1595607561 GZVCIROZZHYHEP-PXNSSMCTSA-N 448.568 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1595798011 LCIMYJFIHKWEGJ-QGZVFWFLSA-N 441.598 0.930 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4n3CCNC4=O)CC2=O)cc1Cl 1596014004 GVEXSUVJPJLZHV-GFCCVEGCSA-N 427.852 0.258 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1596703348 QMCJCNMNLOEPRJ-UHFFFAOYSA-N 438.536 0.553 30 10 ICEE CN1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(N2CCOCC2)CC1 1597423091 MHINUGYFXZESRM-UHFFFAOYSA-N 449.577 0.405 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1634742249 DYGCELQRAMJVQA-INIZCTEOSA-N 439.534 0.898 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 1640528472 SENZCLUBWYQCRK-OAHLLOKOSA-N 425.474 0.045 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ncns4)CC3)C2=O)cc1 1641149940 ZJRDBTHSDUPFJN-OAHLLOKOSA-N 425.474 0.964 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccn(C)n2)CC1 1705769610 XNOMEKFZWQZUGN-QGZVFWFLSA-N 435.554 0.744 30 10 ICEE Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707790506 AMWMFXVSMANTOA-GOEBONIOSA-N 436.542 0.412 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1722346346 PIMFPYLFCFRVLM-UHFFFAOYSA-N 425.536 0.357 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722364074 DSWHLVUGUAIWNL-QGZVFWFLSA-N 430.534 0.417 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)CC1 1722447003 GNMLFFITGVKQON-QGZVFWFLSA-N 449.577 0.451 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1740966492 ZBZGCRCUSVXPRJ-MGPUTAFESA-N 436.513 0.509 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1 1741057472 AOSHBSACWYBVFL-MRXNPFEDSA-N 439.524 0.828 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C2CC2)CC1 1749001587 XIJFTVFFPDACFC-JOCHJYFZSA-N 428.537 0.641 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749032539 LBPHDCHUXCAWHO-UHFFFAOYSA-N 442.593 0.789 30 10 ICEE COCc1nocc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1749454657 CXFGNMZXXOSMRE-BZNIZROVSA-N 427.462 0.513 30 10 ICEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1751652085 AYNHNKQXVJBUHW-SJORKVTESA-N 439.476 0.883 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CC1 1760261551 NIBOSXNLUSJZSJ-OLRZCDJHSA-N 441.623 0.483 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760440330 HINHHNXWHHVFGQ-CQSZACIVSA-N 431.584 0.664 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760449729 SMXHHWINDWXBNO-CQSZACIVSA-N 431.497 0.343 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760519938 VJJAEVFBZYYTHM-INIZCTEOSA-N 435.492 0.779 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1760552289 JLEOPQVQMQLIFO-KRWDZBQOSA-N 449.533 0.506 30 10 ICEE C#CCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1)C(C)C 1853143622 NXJRXZDDAFCOMU-QGZVFWFLSA-N 428.532 0.877 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255631987 HBEOXQFDUUWFMV-CYBMUJFWSA-N 436.318 0.763 30 10 ICEE Cn1ncc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829198 KSRPQJACIHBMEE-UONOGXRCSA-N 436.318 0.741 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)n1 2255841548 DRLXOZYAPORZON-VXGBXAGGSA-N 433.318 0.709 30 10 ICEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CNC(=O)C(F)(F)F)C1 2267276948 JNUHPTWSTUZYGN-CYBMUJFWSA-N 444.263 0.749 30 10 ICEE CN(C)c1ccc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)cc1 105377050 IZMRYFOFUPNRCO-DJKKODMXSA-N 440.493 0.742 30 10 ICEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O 440379051 XSCIMMCOFXRWFI-UHFFFAOYSA-N 430.530 0.171 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 518549897 BOLCRCQTGUHNMU-UHFFFAOYSA-N 432.458 0.019 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 579499127 AYWIILWQISIFNV-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@H]2CCCO2)C1=O 730143737 DGTQNLYQDGGMQC-IAGOWNOFSA-N 447.561 0.964 30 10 ICEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730144643 PKICSKBXGQKKEA-OBAOGOGRSA-N 441.579 0.222 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 1156618776 TUCLOLIQUFAWIP-TZIWHRDSSA-N 442.491 0.835 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286380271 GNUOUPRUMOPLQL-QZTJIDSGSA-N 448.593 0.483 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286388774 BPNFZDHPRAPPCR-HZPDHXFCSA-N 431.522 0.061 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286606144 HYVQJUWLDOKCTC-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286832452 LDBMTULGNZLKTN-KSSFIOAISA-N 425.580 0.958 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)C1=O 1288829868 BXECMYGNOPFZGW-LBPRGKRZSA-N 444.435 0.972 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300497382 AXPJGMBFUXEWLN-KRWDZBQOSA-N 433.509 0.723 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300498517 KXGDXWRHOYWWGC-RXVVDRJESA-N 445.545 0.696 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300681004 JFMSYGPDOUKMPF-UHFFFAOYSA-N 436.582 0.529 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300703142 AMRZCTAWDWRJBC-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1301403614 MQMKLEVPNYALLJ-HNNXBMFYSA-N 426.543 0.268 30 10 ICEE CCOC(=O)[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC12COC2 1303335698 ZDZPMJCWUHVXHS-DLBZAZTESA-N 440.456 0.801 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CO)CC1 1316567435 LYGFWNAAQBYOEO-OSCRUYLVSA-N 430.509 0.907 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1358979864 ZUKMISUFZPSXBR-SFHVURJKSA-N 431.493 0.871 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359298661 IEAIIQRQIDGZLO-PBHICJAKSA-N 437.504 0.701 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1359327201 VHFCYSRBCWGGBP-SOUVJXGZSA-N 449.599 0.350 30 10 ICEE COC[C@]1(C(=O)OC)CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1461534466 SNHGCFLXPYHBNM-KKSFZXQISA-N 428.445 0.944 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1499306926 BVQRZQVXTGVGQG-SYLQMPFCSA-N 438.492 0.525 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508093836 WOFXIKXCUUGKLO-CVEARBPZSA-N 437.566 0.614 30 10 ICEE O=C1CS(=O)(=O)C[C@@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1538727176 QRVZKBBHIKEQNB-QYNIQEEDSA-N 444.300 0.529 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1539416900 UOFKXVUJVJNJNF-QGZVFWFLSA-N 437.566 0.669 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 1539430623 KHHQYTNSZGRGCZ-INIZCTEOSA-N 434.570 0.308 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1540620125 FLDRUQIJIRHJBN-HUUCEWRRSA-N 429.539 0.445 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547314793 DNQAPUYRDRGGDO-UHFFFAOYSA-N 434.508 0.750 30 10 ICEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 1559640602 ZILCAFVVJUIRAN-SFHVURJKSA-N 439.559 0.131 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1587847561 NNUGCXAZTWRSBS-KRWDZBQOSA-N 435.488 0.557 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589569726 QQCXYJDEAKDABA-LHUKNYEISA-N 447.536 0.742 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1613594152 CJKOSMUTJGELCU-SJLPKXTDSA-N 433.557 0.894 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1618552225 IVHABZSIMOYYRD-ZVRCSXDDSA-N 445.524 0.864 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CC1 1623000791 WLJLSNBZYKEHRO-UHFFFAOYSA-N 435.550 0.998 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623498916 JFTVTLRFRZDZQF-MRXNPFEDSA-N 427.892 0.458 30 10 ICEE COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CCC1 1636122715 JUUZFHGYTYLTQB-QVKFZJNVSA-N 449.529 0.922 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCC#C[C@H]2CCCCO2)cc1C 1637185507 FEXHWQUXFOPRFM-MJGOQNOKSA-N 435.546 0.905 30 10 ICEE Cc1ccccc1CCNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1641324893 AHNJBCSBYWVQMU-UHFFFAOYSA-N 426.473 0.891 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 1675323459 CLPAEBLTSVHFCZ-UHFFFAOYSA-N 444.561 0.843 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689980741 WQCLGZSZJCNJIF-OAGGEKHMSA-N 428.580 0.853 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1690840034 CLCATCYJCNPMGH-UHFFFAOYSA-N 437.504 0.734 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1696084470 BKNNAVYMMLRQNE-JTDSTZFVSA-N 439.538 0.484 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N[C@@H](C)CC)CC1 1705647453 GOPFEXLFNRMRDW-RDJZCZTQSA-N 443.552 0.500 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705901213 DZMDKNXIJSZWEU-GFCCVEGCSA-N 428.415 0.879 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705930940 ZQUYWFVILXQLLW-UHFFFAOYSA-N 438.598 0.747 30 10 ICEE CCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1709447449 ALXOMLXESDUSJN-VQIMIIECSA-N 440.570 0.902 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1711236781 IRROMDXKIPUAQL-MSUUIHNZSA-N 438.554 0.874 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722738680 NKQCWPLNJVLDRD-QLFBSQMISA-N 445.567 0.092 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1729679122 GUKWAGIDCVBUHR-IAGOWNOFSA-N 437.504 0.683 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1740671461 HXBBQGCGJMAUHD-CYBMUJFWSA-N 432.344 0.979 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740963400 JTBSKZRJTAEMNW-HRAATJIYSA-N 432.525 0.477 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741173189 IXZXSLYNOYKBFZ-PVEMMZBWSA-N 429.481 0.743 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743780542 RPCYQPSTVDRJQP-SKOAFDGASA-N 429.525 0.839 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1747706331 BUOCPHPXWWNMOM-MRXNPFEDSA-N 426.506 0.865 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1748671277 IEMQMORJAUKXMH-ARFHVFGLSA-N 425.555 0.884 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749297962 MSRIUCFTNCOMJQ-HNNXBMFYSA-N 435.510 0.493 30 10 ICEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CCO1 1750388370 OGCWEIOEGLDORT-CABCVRRESA-N 432.506 0.804 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1)C1CC1 1760477421 ZTTLRXWVFYTTBP-INIZCTEOSA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760525304 ASLJGHBGJYXSJX-HNNXBMFYSA-N 445.549 0.688 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1771222633 KQFTULGUDXZPAT-CABCVRRESA-N 429.543 0.944 30 10 ICEE C[C@@H]1C(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CCN1Cc1ccc(C#N)cc1F 1855022834 JPKZISPZFWEHJM-CYBMUJFWSA-N 434.493 0.681 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)[C@@H](C)C2=O)CC1=O 1857113831 DSSKBPBCHRJDBU-GOEBONIOSA-N 437.493 0.749 30 10 ICEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN(CCO)CCO 1870652387 VSAFBWAHUKFZLU-UHFFFAOYSA-N 431.489 0.847 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC2(C1)OCCO2 2282313379 KMLJISYZHFREGV-LBPRGKRZSA-N 428.320 0.078 30 10 ICEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472461346 HKUBPHVBISWKLP-MRXNPFEDSA-N 434.522 0.378 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 546716310 GPNXWCOZXCZJMF-UHFFFAOYSA-N 429.340 0.687 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)ccc1C(F)(F)F 554532540 LXICRJCPAQGCGF-JTQLQIEISA-N 426.394 0.839 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)COc2ccc(C#N)cc2)CC3)CC1 580790158 LCRQTLRRLIHHKA-GOSISDBHSA-N 436.516 0.900 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 582967314 BDDKBLVCZVNDFW-OAHLLOKOSA-N 430.552 0.152 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671376 IBVURQNVPNMEOT-QGZVFWFLSA-N 449.536 0.862 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1OC 916201412 NWFRPWOLVHEUKB-UHFFFAOYSA-N 426.498 0.286 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2C)CC1 1191502203 FJIWROWDZYNEEB-UHFFFAOYSA-N 428.352 0.954 30 10 ICEE CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1226109411 BKUMRQNYJBXYJM-IBGZPJMESA-N 440.504 0.434 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CC2)CC1 1286652590 ZVVVFPUNMANPJF-ZDUSSCGKSA-N 431.584 0.868 30 10 ICEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286675729 CLVBPEZFSSGZOS-UHFFFAOYSA-N 446.556 0.884 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1300506068 MBCUGLILJMRPAI-IAGOWNOFSA-N 425.555 0.335 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300864141 ZDDOYTYKEJUNDC-HOTGVXAUSA-N 440.570 0.481 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1301596701 WPQXIHRDAPUPPD-JYJNAYRXSA-N 425.511 0.332 30 10 ICEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC#N)C(F)(F)F 1303849833 WFCZUDQYIYPLMG-OLZOCXBDSA-N 441.453 0.729 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1359034430 QLAQVWNRCKWTQQ-UHFFFAOYSA-N 434.570 0.105 30 10 ICEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)C2)c(F)c1 1456722008 BZRVWLSVKDZUIR-ANZKDXPISA-N 448.520 0.851 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)C1=O 1470705337 UOCMBTXKTLMFOW-GOSISDBHSA-N 438.278 0.836 30 10 ICEE C=CCC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1471822453 HKRXEFGMCHOZAE-VEMDQMBVSA-N 442.559 0.529 30 10 ICEE C#CCC[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1478934000 FNQMHZDWFLHUPQ-SFHVURJKSA-N 438.550 0.221 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507558054 VIFFUFOEEMZVSB-ZFWWWQNUSA-N 437.526 0.961 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507631668 FWDYJLWBFDDZQO-CVEARBPZSA-N 444.579 0.234 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1507791285 KGVRGXXZHMFMGR-HKUYNNGSSA-N 446.552 0.790 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1508409677 CCFKKXODECQOEP-STQMWFEESA-N 432.572 0.309 30 10 ICEE CNS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1517625706 FQUKKTMOWQSLRP-INIZCTEOSA-N 434.522 0.752 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539211143 GWXDYIYHYZRYGI-OAHLLOKOSA-N 448.936 0.922 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)CC1 1561869299 PQLSYLKSAWAYDZ-UHFFFAOYSA-N 425.532 0.397 30 10 ICEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1565402143 NYTBYIUMPCPGQU-UHFFFAOYSA-N 431.522 0.638 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)c1cc[nH]n1 1570856822 HYGRPCBHHPFXQD-QWRGUYRKSA-N 433.387 0.752 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC(C)C 1588128761 RSFJEPOZODOEBQ-UHFFFAOYSA-N 432.506 0.406 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1589664387 ZPTNXADHGDQOSS-QAPCUYQASA-N 429.543 0.165 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1)C1CC1 1595054159 BVMPJVHRXPHWHI-MRXNPFEDSA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1595522616 HIFHAQQXJUXRSL-UHFFFAOYSA-N 440.552 0.633 30 10 ICEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1612596520 AVBSKJMQALCLEU-IBGZPJMESA-N 434.497 0.474 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)c1 1617724737 XYAAQVZAPJFFLS-UHFFFAOYSA-N 427.500 0.334 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1628680520 LMSVEMQXZDHKQN-UHFFFAOYSA-N 429.477 0.524 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 1634898726 XGJJJLINPIBFQN-UHFFFAOYSA-N 447.359 0.221 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2cccc(OCC(F)(F)F)c2)c(=O)n1CCO 1641368852 ZABIBVDGQDDHTL-UHFFFAOYSA-N 440.378 0.440 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 1659145137 YAXCPVCQWJTIRA-UHFFFAOYSA-N 438.510 0.885 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689977948 HSNOJFJXXMLSOT-IRXDYDNUSA-N 438.598 0.773 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1689982666 RRQKJSMXRFZODD-LAUBAEHRSA-N 446.529 0.732 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988016 HNVWJIOZWWSDPJ-MHTXLSKPSA-N 448.574 0.663 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689992588 MOHZETFQISCHRH-MOPGFXCFSA-N 436.626 0.741 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)CC1 1690109563 WESNAOILCIVDAL-UHFFFAOYSA-N 430.553 0.855 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)CC1 1690122447 RAAHUDBQKOYWGE-KRWDZBQOSA-N 439.520 0.706 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690659112 KBVZHWBDRCXWLZ-YCRPNKLZSA-N 441.492 0.612 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1690729150 HNKXCEKFYGOVBR-UHFFFAOYSA-N 426.568 0.309 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC#C)CC1 1705516987 MNSUECVZRFTFRC-SFHVURJKSA-N 431.562 0.950 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705540404 YURJJGXAVOFPPL-DLBZAZTESA-N 434.566 0.788 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705567454 WKYQBGFDLTVVAA-SQNIBIBYSA-N 438.550 0.604 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C2CC2)CC1 1705647656 KDSKBXKKGRARMR-MAUKXSAKSA-N 427.553 0.678 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1709191605 GUVWJULGJFKXDB-ZWKOTPCHSA-N 426.477 0.859 30 10 ICEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722320477 ZKBVVSAXYYBGIR-IBGZPJMESA-N 430.553 0.566 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722694777 IBPIZJPRHVNHTE-UHFFFAOYSA-N 435.488 0.912 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722739120 AFGJIGFGISDBOC-JKSUJKDBSA-N 434.566 0.976 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1740623234 QFSDBCJYBTVONB-MRXNPFEDSA-N 429.550 0.846 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740715601 KSRLQWHJJHDCCX-INIZCTEOSA-N 442.593 0.834 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749649988 FZECHLXZKZQIKF-NRFANRHFSA-N 430.484 0.956 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1750568056 IHXUNBLKIWBCSW-SBCIHWNMSA-N 445.524 0.864 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2ccnc2C)CC1 1760253355 DPAXMLVUXVLWAI-MRXNPFEDSA-N 434.570 0.239 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1763272800 BPWQJKRETHDWKZ-HTZUNMPGSA-N 426.477 0.580 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(C)(=O)=O 1770044711 QIWBFIYTDWIFDT-HOCLYGCPSA-N 426.543 0.223 30 10 ICEE CO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1770283499 NRAQTAXTWCTZKQ-GOEBONIOSA-N 436.494 0.349 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C[C@H]3CCc4ccccc43)C(=O)C2)C1 1856830712 SGXIWSNCENAMOD-MSOLQXFVSA-N 430.530 0.705 30 10 ICEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC[C@@H]3C#CCN(C)C)ccc2n(CC)c1=O 1890760724 SWXCSWUWJTYXQO-INIZCTEOSA-N 432.546 0.921 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405656 SIXMMGMZRDNZPK-WDEREUQCSA-N 440.331 0.737 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 506274027 UXVXBGNUSVFKMY-UHFFFAOYSA-N 434.562 0.921 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 514305696 DJJVPNPLAPKBQJ-AWEZNQCLSA-N 449.479 0.633 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 522846276 VJKLLWYAZJKKQU-UHFFFAOYSA-N 431.493 0.431 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543977742 KXFVMYWSYXMNBC-HOTGVXAUSA-N 437.508 0.493 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 589159223 JWMDQEYZPSRRNP-UHFFFAOYSA-N 425.491 0.851 30 10 ICEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n(C)c2)C1 732155747 DRIXQCJLFJSZEE-DPHDRGAJSA-N 449.533 0.702 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cn1 765547750 OSTZAGBQJCZCIW-INIZCTEOSA-N 432.554 0.836 30 10 ICEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ncccc2C#N)CC1 1135889362 DYIAHYIZTRPCMD-XJKSGUPXSA-N 435.531 0.391 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CS(=O)(=O)CC)cc2)CC1 1206396571 BBIWNXSFMRYADV-UHFFFAOYSA-N 428.536 0.238 30 10 ICEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1208297049 NZTXQQOWMDITQU-AWEZNQCLSA-N 437.474 0.252 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)C1 1286810503 SAALGQPNZIROIK-RKVPGOIHSA-N 428.580 0.830 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1286822402 DMKKBEKXINOWND-STQMWFEESA-N 429.572 0.021 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300734080 QDPJZIPTJMSBJJ-MRXNPFEDSA-N 443.533 0.633 30 10 ICEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1301239362 OECWMUNRXUHIBK-HNNXBMFYSA-N 429.481 0.469 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nccnn2)CC1 1301337061 SXAHMEZAFRYEOB-MRXNPFEDSA-N 443.533 0.674 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C2CC2)CC1 1359044970 SWLRFTWQVVQGLM-SFHVURJKSA-N 427.553 0.679 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1359135875 QNBFYFPCLKLLOJ-UHFFFAOYSA-N 431.541 0.987 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 1455115856 SSKHXOCULOTOAV-INIZCTEOSA-N 440.566 0.635 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1507752235 WYWGOZUNULPPCV-HNNXBMFYSA-N 443.595 0.593 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1513977671 CBEIOPFJCSTOQE-GOSISDBHSA-N 437.504 0.970 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1518645989 PJZHDPAXXZMWOI-QFIPXVFZSA-N 437.504 0.590 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1541733808 WGMDYWMIHVYIIF-VWKPWSFCSA-N 432.525 0.962 30 10 ICEE CCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546519907 JBFJFZKIFDUNCE-QBEKEKFNSA-N 443.552 0.916 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 1557502857 DEWICNMCYYVZSA-HNNXBMFYSA-N 427.490 0.597 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1584999884 CWTJCEHMAZRFBG-JTSKRJEESA-N 436.553 0.685 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1587988631 AFHZZVPJBVOISL-CYBMUJFWSA-N 425.540 0.083 30 10 ICEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1589053102 HGYMGBATXDJKRQ-UHFFFAOYSA-N 437.529 0.885 30 10 ICEE CCOc1ccccc1[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(C)=O 1607487843 BJAJAWIOKKLYKT-QGZVFWFLSA-N 425.445 0.870 30 10 ICEE CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC#CCO 1617900643 KPLBJJDSRYRQPH-GUYCJALGSA-N 443.953 0.847 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)s1 1630275285 PHOARWQPXZOBJI-IUODEOHRSA-N 437.547 0.799 30 10 ICEE C#CCN(C(=O)NCCOCCS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1686717478 KJOUWPGXEGELNU-UHFFFAOYSA-N 432.543 0.336 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689988157 KEZDSSXBKBZPHJ-INIZCTEOSA-N 443.533 0.421 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CC2)C1 1690700860 YZOCKDIMMYCWJX-LGRMXARXSA-N 428.580 0.873 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705564793 CQELIEGXBOEGOH-HUUCEWRRSA-N 448.936 0.953 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568753 UTRASHITQOKKMK-MSOLQXFVSA-N 439.582 0.410 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1705705703 KLCYPGKDFALFSH-LPHOPBHVSA-N 431.541 0.843 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1722366740 KHDCFUPMWFJGHG-HOTGVXAUSA-N 428.580 0.997 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722554139 GFMGZPJHEQVBBQ-OAHLLOKOSA-N 435.960 0.942 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1722690934 NEAHTEJYVKZNPV-LLVKDONJSA-N 438.476 0.969 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1740539386 PEUDKZCTNNFLFJ-CQSZACIVSA-N 439.563 0.698 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740705138 BROVEZZUYWKDCU-KRWDZBQOSA-N 449.577 0.715 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1741730631 CSJKKCOJYXYPCF-DNVCBOLYSA-N 439.538 0.625 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)n1 1742710078 MDKUCYBVQKWQMN-IBGZPJMESA-N 428.541 0.715 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1748791524 UXPAAOJHZXNNHH-MSOLQXFVSA-N 438.598 0.802 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1748864079 PGOVNEYUXBPQBA-INIZCTEOSA-N 429.550 0.861 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(C)(=O)=O)CC1 1749009000 KQKZEURDCUCZQZ-UHFFFAOYSA-N 445.549 0.164 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749730524 HLOIGAYBUDIMFD-BEFAXECRSA-N 434.522 0.720 30 10 ICEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H]1OC 1750186237 CFXSYUULOASDMZ-HDICACEKSA-N 446.533 0.702 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760190354 PHKIDHIWLHYBFS-MRXNPFEDSA-N 431.518 0.767 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760524509 ZLINLPLYGBNPBV-CQSZACIVSA-N 431.497 0.343 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760530160 LAWFNUPDLSIYGA-JIYIMXKPSA-N 435.525 0.689 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)C1 1760534364 WWFIEKJZCFOYGS-MRXNPFEDSA-N 438.554 0.331 30 10 ICEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1765597579 GJYWHKWEVNIWKK-FZKQIMNGSA-N 426.518 0.784 30 10 ICEE N#Cc1cccc(C(=O)Nc2nc(N3CCC(CO)CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1869980376 VHJTZZBPAOTPJC-KRWDZBQOSA-N 444.517 0.970 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2243398776 UPGCGVFROAHQOD-UHFFFAOYSA-N 441.297 0.865 30 10 ICEE COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 20512760 DUPHUJHHLQJDQR-UHFFFAOYSA-N 435.487 0.562 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 72443799 JPRSGDNZWRDKAF-KBPBESRZSA-N 437.416 0.604 30 10 ICEE N#Cc1ncccc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 428249954 PFCHPXMNFUSKRX-UHFFFAOYSA-N 428.517 0.514 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCOC)C1 508827589 MQVLFCUDCGPDOT-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE Cc1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc1S(=O)(=O)NCC#N 511099623 FIOTUGJZFFSVTL-UHFFFAOYSA-N 426.564 0.370 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 580576558 YUHWIOUXCQTHEL-KDOFPFPSSA-N 426.543 0.150 30 10 ICEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC(=O)N2CCOCC2)CC1 610004749 CLLDXDAMMRNRIS-UHFFFAOYSA-N 446.451 0.742 30 10 ICEE C[C@H](CC(=O)N1CCN(Cc2nccn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742643181 OKOYXIKXIHNHLG-OAHLLOKOSA-N 430.534 0.582 30 10 ICEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 793938437 TZIQXGNHTCXPOR-ZDUSSCGKSA-N 430.486 0.969 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc2c1OCCO2 837835002 CDIIJHAVAHECAA-OAHLLOKOSA-N 425.466 0.895 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3cc(OC)c(OC)cc3CC2)c1=O 919953170 MOJOZDOUNIFTCP-UHFFFAOYSA-N 428.489 0.619 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1162106864 CPQISBIZHOXSIB-UHFFFAOYSA-N 437.518 0.961 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 1175514876 JVKBAGWVNWBHEJ-UHFFFAOYSA-N 436.278 0.882 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 1252944882 FVLVXKCFBZJEQO-UHFFFAOYSA-N 436.310 0.745 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CCS2 1256193156 WYEWTUINZNJHJV-RUIPRNGPSA-N 427.548 0.784 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286389598 MXYJTMZVQICQHH-BPQIPLTHSA-N 432.550 0.856 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCO)CC1 1286492143 CWCYPEZRDNEXDU-KRWDZBQOSA-N 437.566 0.309 30 10 ICEE CCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1294196912 SGMJNOCPYZZVIO-DCOQFNDQSA-N 436.538 0.943 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(OC)CCOC2)CC1 1300729225 RDAJOVCODLMDQH-QFIPXVFZSA-N 444.536 0.172 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCSC1 1303377780 BHFLTRRVPAQWST-FQEVSTJZSA-N 443.533 0.819 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)CC1 1312633108 KPZYGPJDMDZNDT-RBUKOAKNSA-N 428.518 0.523 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CCN1C1CC1 1316539967 IRUMSUPOOFZKBL-UKRRQHHQSA-N 444.508 0.638 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358960347 CGUPJFKLGIUYAA-OAHLLOKOSA-N 433.538 0.078 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1358963142 CNGSERSKIIMXEU-AWEZNQCLSA-N 431.584 0.043 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359326958 OEFVZOBOQCCLBL-OKILXGFUSA-N 434.478 0.088 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507628027 MTYJDHNTRIOITD-AWEZNQCLSA-N 426.520 0.518 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507639071 JCOKRNPICVFOBL-HNNXBMFYSA-N 432.506 0.372 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](F)COC)CC1 1507738329 NJFDYOQQIPWVHJ-HNNXBMFYSA-N 446.483 0.956 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)CC1 1539436133 KNNAMXPLGMOLEQ-UHFFFAOYSA-N 437.957 0.688 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 1588811338 GWIGCLTVGUWCFG-GOSISDBHSA-N 429.546 0.992 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1588984856 KYXWMXMTPHWERJ-CYBMUJFWSA-N 442.567 0.334 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595405619 UIYJKBJYFCRYQQ-OAHLLOKOSA-N 431.522 0.187 30 10 ICEE COCCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1619812997 JYWMAJRRWVMBQI-YJBOKZPZSA-N 444.533 0.870 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1=O 1619937688 SHCUUXFSXSPKLT-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 1627229716 XMLFGRPEYZKLNK-OAHLLOKOSA-N 434.495 0.563 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 1632960991 RTQXPIVRGPTUPP-SJLPKXTDSA-N 438.937 0.471 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 1636480040 JRANZDNKWKDJQD-LBPRGKRZSA-N 435.472 0.778 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1687205960 JSOHBBQOHDDXBY-RBUKOAKNSA-N 430.553 0.980 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689984707 SWZCRTQVLCESQM-CQSZACIVSA-N 441.535 0.022 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1690743907 HLMKDYALANJDIU-AWEZNQCLSA-N 443.595 0.570 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1692542140 DEXIPQHPUVVPQF-HUUCEWRRSA-N 441.483 0.501 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1692580584 AEMUIWQZKMERBE-DLBZAZTESA-N 430.506 0.310 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=O)N(C)C)c1 1705507509 DPLJCQSETBITBN-UHFFFAOYSA-N 437.504 0.545 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1705583215 SINLYCFEHDJLPU-KRWDZBQOSA-N 431.562 0.902 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(O)CCOCC2)n1 1705631809 QWMLPNNHBXHEER-GOSISDBHSA-N 444.536 0.806 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc(CCC)nc2C)CC1 1705633350 OVQQWWCQBRMLMY-MRXNPFEDSA-N 449.581 0.941 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705757904 BQLSDYAJIMUWJX-AWEZNQCLSA-N 430.962 0.919 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1705897105 GIFCGHAEQLSWAA-GDBMZVCRSA-N 440.570 0.586 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1722297088 XFIYONIXDQUJMJ-IAGOWNOFSA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1722366781 KJSQROJYUVRPHS-ROUUACIJSA-N 449.577 0.715 30 10 ICEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1728754028 FRESXFOAXSEBBI-BMGDILEWSA-N 427.527 0.218 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1729372369 BSZMRSFABNBDRK-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1729677234 MDYOQHHLXPUDKK-XEVXXXDWSA-N 431.497 0.053 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1729700291 NRROXUXNCXBPMW-ZZEZOPTASA-N 438.492 0.829 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1740626865 NSXWDAOACOJRIN-CVEARBPZSA-N 426.564 0.773 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1740631636 SXPHIEQSMIOYMD-HNNXBMFYSA-N 428.518 0.369 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1740705463 HIAKVXHLWBGUKC-RTBURBONSA-N 431.537 0.943 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740720460 ZHXXGEBOPSXJET-INIZCTEOSA-N 435.575 0.394 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C1 1741987477 DBHPHGILQUVWBC-VBKZILBWSA-N 428.497 0.519 30 10 ICEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1749032852 RTDRHXKMTARYBY-UHFFFAOYSA-N 437.529 0.978 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749663952 UPNYIAHJQCHOOP-UHFFFAOYSA-N 443.581 0.984 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749731905 NGXROZCTWSNOSM-HZPDHXFCSA-N 425.555 0.735 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749754484 NXOHPCOWXMYOQQ-DOTOQJQBSA-N 447.609 0.938 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760188151 IOOJJXRDQQLGTH-IEBWSBKVSA-N 434.610 0.808 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760188272 JCXUNWCXTLPDOE-CQSZACIVSA-N 435.506 0.669 30 10 ICEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCOCC1 1769323234 CQXGUFANUSBHGY-CABCVRRESA-N 428.559 0.927 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C(C)C)CC3)CC2=O)CC1=O 1855890741 HHANFDUOXNWWRC-DLBZAZTESA-N 425.551 0.846 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1858327097 OAUSZBVRUGWTHR-HNNXBMFYSA-N 446.510 0.794 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256064002 XZAICWTYRAGYLV-OLZOCXBDSA-N 434.302 0.798 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)o1 471185866 FBEUXUHWOSYGLQ-MRXNPFEDSA-N 431.514 0.510 30 10 ICEE CC(C)N1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 511688286 HWGFWPNJVVEBPM-UHFFFAOYSA-N 433.578 0.854 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795657 QXGOIZWMPOEONY-INIZCTEOSA-N 427.530 0.671 30 10 ICEE CNC(=O)CCOC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 752747902 VRRYCPIWAAHSIG-AWEZNQCLSA-N 436.534 0.647 30 10 ICEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccn(C)c2)c1=O 763438691 WSQNSVXMKWUQJH-UHFFFAOYSA-N 434.521 0.908 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803575315 LMIPMJZYEMTIGS-CYBMUJFWSA-N 428.536 0.046 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 803700145 DCUMMMFZKKUKPK-UHFFFAOYSA-N 444.509 0.928 30 10 ICEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156675205 DBKUJHBVKSFOEH-FTUNRGFVSA-N 427.523 0.798 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1 1159455871 OLALWINNBJFYHJ-UHFFFAOYSA-N 432.545 0.367 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)CC1 1212216516 CJTNFFUIDOVSDA-UHFFFAOYSA-N 444.460 0.252 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CC1 1214860527 IMQJBCIQXLXKKW-UHFFFAOYSA-N 430.914 0.982 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1286711923 REBXECUVIJBLPA-QGZVFWFLSA-N 447.565 0.890 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)C1 1286811105 ZRVMGBZNFVDJFL-OLZOCXBDSA-N 439.460 0.955 30 10 ICEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(C)(=O)=O 1287218023 IWBCHWSHWZJUHU-UHFFFAOYSA-N 432.554 0.934 30 10 ICEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2ccnc(C#N)c2)c1OC 1297365136 FNUORUXWIMSXMF-UHFFFAOYSA-N 446.485 0.921 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299084737 DGALORKKLGTMBM-LZICOFPGSA-N 427.509 0.719 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1300492300 MRWBNMUKBCJHLZ-DNVCBOLYSA-N 434.522 0.149 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300501740 NFERKQZHPIUHSO-ZDUSSCGKSA-N 433.456 0.536 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)NC(C)C)CC1 1300703644 NNGWYNANYGDNNQ-UHFFFAOYSA-N 431.566 0.347 30 10 ICEE C#CC[C@@]1(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1304149439 YQFQXGOXERBLKV-NYHFZMIOSA-N 445.520 0.974 30 10 ICEE C#CC[C@@]1(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1304149442 YQFQXGOXERBLKV-QRQCRPRQSA-N 445.520 0.974 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359187284 IAGKIUGUHNMDSZ-OAHLLOKOSA-N 442.528 0.167 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1359240345 LTWASEGSGRYFEX-DLBZAZTESA-N 426.587 0.965 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2c(CC(N)=O)cccc2C1 1454680848 ZGCLSNLXBGSMNA-AWEZNQCLSA-N 426.498 0.838 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507564533 RPRLZVCXSBJSJG-VQIMIIECSA-N 440.591 0.999 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507635030 RYZRPWVOOCGOCJ-INIZCTEOSA-N 436.559 0.919 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508092428 CAKGDZGWRUFBDG-JKSUJKDBSA-N 440.504 0.883 30 10 ICEE C=CCCn1cc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 1515293495 TZAUIFTZUOICGH-GOSISDBHSA-N 426.525 0.850 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1517629304 RGYJJWFGJJEWBB-AWEZNQCLSA-N 447.521 0.643 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2COCCO2)c1 1539042516 HFZBBNJJIDTGKE-ZWKOTPCHSA-N 438.488 0.701 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1539267108 WJCMLMXKDVJKPX-KRWDZBQOSA-N 446.554 0.705 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1539304827 HEAVCMFKIIBBRO-OAQYLSRUSA-N 428.514 0.963 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1539968505 ZYGDQRXSPCFMOF-CABCVRRESA-N 426.543 0.279 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 1539968516 ZYGDQRXSPCFMOF-LSDHHAIUSA-N 426.543 0.279 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1C(C)(C)C 1540071771 HVQVKJKDKHQOQO-CQSZACIVSA-N 438.558 0.628 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1540871503 NDGMBHHITJUDHV-KRWDZBQOSA-N 446.533 0.433 30 10 ICEE Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1542632221 ZUTYAWYRTSFFDG-CZIZESTLSA-N 436.476 0.501 30 10 ICEE C[C@H](CC(=O)N1C[C@]2(CO)CCCC[C@]2(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1558669158 FLHXQGHMQFWKFQ-LPTQZCDUSA-N 435.546 0.877 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1565156372 IMTVXWNXZDZZGQ-ZDUSSCGKSA-N 429.262 0.951 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)n1 1588722556 DARWMQGEKXQIJR-UHFFFAOYSA-N 436.538 0.009 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)CC1 1624667272 OQWOYQPBWAIREH-UHFFFAOYSA-N 429.886 0.065 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1 1624892540 KCGUEKHFOSNREO-SDXDJHTJSA-N 431.540 0.176 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1625364218 WIVXJPNVNLLMEG-CVEARBPZSA-N 441.550 0.399 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 1632960992 RTQXPIVRGPTUPP-WMZOPIPTSA-N 438.937 0.471 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2nccn2C)C1 1636576558 LTIIXFSDKOXSBZ-HNNXBMFYSA-N 431.518 0.747 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NN1C(=O)c2ccc(Br)cc2C1=O 1643792360 PFKCRGXOULKTGV-PFONDFGASA-N 433.218 0.993 30 10 ICEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1651091003 FDSAGBYQVCNVPM-UHFFFAOYSA-N 439.559 0.607 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)C2)c(=O)nc1O 1653760655 YUCCKJMYQYUMQL-OAHLLOKOSA-N 437.456 0.521 30 10 ICEE C#CCNS(=O)(=O)N1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 1654025715 QADZGGGVUGFYER-INIZCTEOSA-N 441.351 0.788 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1690678409 VMWDZHVTOICTBI-VGOFRKELSA-N 448.568 0.926 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690717731 ORGVHVBVXAYDRF-KRWDZBQOSA-N 449.533 0.506 30 10 ICEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1696568156 XUCDQCNCLZJKMA-HUUCEWRRSA-N 444.583 0.483 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC)c1 1705505705 RSDTXHZHVORLRG-UHFFFAOYSA-N 441.517 0.879 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705516611 FSPSLAKMMPLXEE-CVEARBPZSA-N 428.580 0.997 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705523949 CPOKNXGULHTIAX-AWEZNQCLSA-N 446.599 0.067 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)F)CC1 1705647347 COFLTGIYZQIBLF-HNNXBMFYSA-N 438.479 0.519 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705886914 HNGAJMMQHNSTSQ-SJORKVTESA-N 425.603 0.679 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1705925315 NTEJMOARFIJHET-HUUCEWRRSA-N 444.579 0.539 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722371128 UFJBCHOXYUHFGY-QWHCGFSZSA-N 431.465 0.138 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1722402397 MEGOVJFWSBEYQJ-IAGOWNOFSA-N 426.587 0.705 30 10 ICEE CCc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727574496 KHMUMJQJLLEUCW-AOMYARPXSA-N 427.509 0.862 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2c[nH]nc2C)CC1 1740696355 RNKSRLGZLBZYJO-GOSISDBHSA-N 431.566 0.600 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748770743 DNLGDZUSZDVOIZ-RPBSFSNWSA-N 428.493 0.915 30 10 ICEE CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1750991575 RPMRZGJOLGZMMZ-UHFFFAOYSA-N 439.524 0.534 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1760173719 AZWAJSQEMPMOJW-ROUUACIJSA-N 438.598 0.801 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1760249697 QQVWKIBRSCEBIG-SFHVURJKSA-N 449.533 0.768 30 10 ICEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1760529025 UKULRPVBVZVMSD-UHFFFAOYSA-N 444.521 0.975 30 10 ICEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769333236 VZWIBJDCDZTAKF-INIZCTEOSA-N 441.540 0.548 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)CC1 1889538097 ZVQIXCAOBTWMBA-UHFFFAOYSA-N 437.544 0.655 30 10 ICEE O=C(N[C@H](CS(=O)(=O)N1CC[C@@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270537163 ZSKNXKZPUSWYMG-CABCVRRESA-N 440.499 0.970 30 10 ICEE Cn1c(=O)c2c(nc(NN=Cc3ccncc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 2327749684 HHKLPFPOPZXZSC-INIZCTEOSA-N 449.471 0.715 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)cc1 490083549 CGEXVWOSHPXOCP-UHFFFAOYSA-N 449.533 0.448 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 555255545 LJSSHUFGGLRUKN-JTDSTZFVSA-N 441.554 0.571 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 729330868 GOODNGSLNBVNPW-CYBMUJFWSA-N 448.950 0.527 30 10 ICEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 729332417 YODIJERBZOKNFP-INIZCTEOSA-N 430.523 0.875 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 781522564 AFQQIQLLTXVPFT-OAHLLOKOSA-N 430.935 0.617 30 10 ICEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CN1CCOCC1=O)CCCC2 790739070 DVXUHRHPKUROPP-HNNXBMFYSA-N 444.488 0.758 30 10 ICEE CN1CCn2ncc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c2S1(=O)=O 1135762861 TYFAGBNHZPJCPB-KRWDZBQOSA-N 432.481 0.679 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286343069 TZJKXMSKDRUOGI-AWEZNQCLSA-N 446.599 0.162 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1286783936 QLOAAGGSQRQLAK-UHFFFAOYSA-N 433.900 0.591 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cs1 1290434941 AHLPDBNOOYFMKX-CQSZACIVSA-N 425.540 0.254 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1300513217 UXDPXDLMUYZASF-NRFANRHFSA-N 425.493 0.545 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1300663589 FOBXPOMAAQNPLH-UHFFFAOYSA-N 442.398 0.770 30 10 ICEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1301270635 JSRBBSMYOQAHDI-GOSISDBHSA-N 445.611 0.931 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1301425423 VHZOFQNQFGCCAT-LSDHHAIUSA-N 425.555 0.734 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301491756 XVMDPHXAIQPTQP-UHFFFAOYSA-N 433.538 0.503 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301508001 CQBSZIMFBWYDGQ-INIZCTEOSA-N 429.525 0.786 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](COC)OC)CC1 1359046470 SQOUWDJIHRHMOT-IBGZPJMESA-N 426.521 0.891 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359327269 XBVSGBXLDAYCPM-UHFFFAOYSA-N 433.600 0.768 30 10 ICEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1457080269 MPLPVWNOZRILLU-LSDHHAIUSA-N 430.490 0.209 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1492746462 TYWHWAJEAIQSIS-SFHVURJKSA-N 439.517 0.643 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1503682919 YMGANXFDCGKVHH-QGZVFWFLSA-N 437.504 0.922 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1507679806 RFCUAUYKOVSFNX-OAHLLOKOSA-N 432.550 0.950 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508078516 YIXTVIWECROMBX-KRWDZBQOSA-N 448.487 0.592 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508158720 IQIZHUGYXXKLMT-OAHLLOKOSA-N 447.565 0.076 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1510218421 NEIOOAXOOFVPTN-USXIJHARSA-N 435.554 0.410 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1513406385 AVYAILKDUYVUTA-KRWDZBQOSA-N 427.509 0.981 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1539265475 GKINXBOAXVYOBL-FQEVSTJZSA-N 446.621 0.671 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1539706834 VFWGMXSVUUKMKD-MAUKXSAKSA-N 427.527 0.183 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1540201685 YKQHKVALOQNQGE-OAHLLOKOSA-N 434.522 0.361 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1593746811 NUEGQNCBQBBKPZ-XHSDSOJGSA-N 439.538 0.708 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1594732449 DDCCBXPGADHQBE-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595319227 GXVOWHDAZAYGDM-NSHDSACASA-N 438.476 0.969 30 10 ICEE COC1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CS(=O)(=O)C1 1633104552 NQRLACUDIJTZFQ-HNNXBMFYSA-N 442.335 0.972 30 10 ICEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1682496711 GOISYCYMORNAGU-HZPDHXFCSA-N 429.539 0.844 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689990724 QYMYRFKZDXSYQS-ZWKOTPCHSA-N 444.561 0.918 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)CN(C)C2=O)CC1 1690138096 RWNPJVIJQAPVCX-KSFYIVLOSA-N 446.552 0.446 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690659109 KBVZHWBDRCXWLZ-BTYIYWSLSA-N 441.492 0.612 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690720225 BWWZJMUPVXNOFK-CQSZACIVSA-N 425.536 0.564 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1690725001 BDJBNOPZJCLHBF-HXUWFJFHSA-N 433.534 0.860 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705565215 HEGOJGHYCKEIGI-FYCBBRDGSA-N 440.591 0.710 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1705569655 IZKYISALUHUISF-QGZVFWFLSA-N 432.554 0.714 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC=C)CC1 1705647265 BUQOMKBICZBBGG-SFHVURJKSA-N 449.577 0.739 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1705699471 HKBHLBMXCJXQLX-ZACQAIPSSA-N 443.570 0.675 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705907141 BGAYNULIDZWICS-IBGZPJMESA-N 442.568 0.600 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705979244 IFAHGPAGINFEIE-RJCBAWPRSA-N 443.508 0.367 30 10 ICEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)on1 1707947359 APRXMMONVVRZEH-RHSMWYFYSA-N 439.473 0.398 30 10 ICEE CNC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1711400089 FXIYEUNMCVYCJE-SFHVURJKSA-N 434.501 0.816 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359343 RYUQJKGNAFJJCJ-MRXNPFEDSA-N 437.566 0.738 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1722366747 KHDCFUPMWFJGHG-JKSUJKDBSA-N 428.580 0.997 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1722508298 RNESNWZSNYAOAI-GJYPPUQNSA-N 432.525 0.505 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1740648599 ISABRFOCPQBXKU-IRXDYDNUSA-N 429.550 0.810 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCN(CC)CC1 1740658891 RAAUNZWTOFJEMP-UHFFFAOYSA-N 425.581 0.891 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740946582 BJGVEWJCQPQJJQ-JKSUJKDBSA-N 426.543 0.102 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740992476 QSMVILGIVYBZSX-FXAWDEMLSA-N 439.582 0.684 30 10 ICEE CCc1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744710170 KFIXZPXLPLELAE-ZBBYCGENSA-N 431.541 0.914 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749520010 WROHHNZKQLMYPM-HUUCEWRRSA-N 443.595 0.617 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760188181 NBCVLLDHDFYNOM-ULMVMLMRSA-N 437.566 0.653 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760189719 VUWHDMJVGZGWDQ-ZWOKBUDYSA-N 438.550 0.952 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1760206552 DGCLPXVSQONRKK-VWLOTQADSA-N 448.571 0.867 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760449528 MPVNYJXIAZUXAW-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1770153032 KPQZJGQFVAGVGS-INIZCTEOSA-N 435.506 0.740 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2298374364 QUJSMCGWQUKXTB-FQKPHLNHSA-N 426.319 0.926 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2315516840 CDHJGLOUAURSHC-OLZOCXBDSA-N 436.318 0.429 30 10 ICEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1NCCNC1=O 100020557 NVJREIJMGYSWCD-ZWKOTPCHSA-N 438.569 0.866 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 466586518 PWRQXTFUZXZESS-AABGKKOBSA-N 425.533 0.773 30 10 ICEE COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 504699879 JSHCIPDYXUVMEC-BHZAAZMCSA-N 446.408 0.196 30 10 ICEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)CC2)c1C#N 518850387 CIXDLXZSZFOQNN-ZFWWWQNUSA-N 426.568 0.873 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C 541288703 UABHHCRLNLDZKY-UHFFFAOYSA-N 443.554 0.740 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1ccccc1C 559154003 WHQYSDSVZZWROA-UHFFFAOYSA-N 437.525 0.690 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 581382159 ZWDAPZMUKSFUJG-IBGZPJMESA-N 445.545 0.869 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 610244858 DHMLIPBIOKQTLB-HNNXBMFYSA-N 449.479 0.982 30 10 ICEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732666160 JMKVQUSBAZXQAY-OXJNMPFZSA-N 431.518 0.487 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CCOC2)C1=O 751688773 KJRNMXKJECPEFG-CVEARBPZSA-N 433.534 0.574 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)NCCN3CCOCC3)CC2=O)cc1Cl 1136627257 BRHFPBNWWFUKDG-OAHLLOKOSA-N 433.896 0.129 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1152967842 RYDIFMKWRJTLNY-UHFFFAOYSA-N 438.513 0.791 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286399134 ZIMKEUKPBCWQCV-QGZVFWFLSA-N 435.536 0.990 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300494950 ACGOMSOZXXKADJ-WBVHZDCISA-N 431.518 0.861 30 10 ICEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1300821742 VSPUULJYTDXIPJ-CJNGLKHVSA-N 433.490 0.256 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1301492963 SMKPPOKHMUVIOH-UHFFFAOYSA-N 446.943 0.554 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CC)C1 1301520403 FWEUKAFONVSTPJ-BXWFABGCSA-N 434.541 0.799 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301577954 VIOLXOQUHAAJGY-INIZCTEOSA-N 437.522 0.789 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1306193169 DPWURHKVRFGQST-INIZCTEOSA-N 446.581 0.906 30 10 ICEE C#CC[C@H]1CCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1308067478 HYBUBYKGRNDNEU-KRWDZBQOSA-N 439.516 0.904 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 1311713279 MDOORTBGCVZQOE-UHFFFAOYSA-N 435.550 0.966 30 10 ICEE COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1315671471 GHCPYAHXBZXLHX-RHSMWYFYSA-N 449.537 0.659 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358967799 SEQKCIDNKXLMDX-QAETUUGQSA-N 444.529 0.613 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358967800 SEQKCIDNKXLMDX-YVSFHVDLSA-N 444.529 0.613 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1358978368 KSGQRDNXWZJALW-OALUTQOASA-N 433.578 0.610 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@H]2C)C1 1359321532 HRARGKALXYVLBL-FGTMMUONSA-N 439.582 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359333430 XMURFBCXLZZHJR-CQSZACIVSA-N 444.517 0.918 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(I)c2)CC1 1455115996 VLZTULSYEVFXED-UHFFFAOYSA-N 447.298 0.825 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)s1 1463945870 FUGKSJDECJSUGA-UHFFFAOYSA-N 442.563 0.351 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)ccc1F 1470142791 RMGIXKOUFXKEGJ-CQSZACIVSA-N 445.480 0.736 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)CC1 1473659888 PTJZWIIJOXSEIT-OAHLLOKOSA-N 425.580 0.446 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539201324 ZZXMYELGIYBMQX-HOTGVXAUSA-N 437.566 0.858 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1539325898 PRUUWJUTXUZUJF-GHTZIAJQSA-N 449.577 0.889 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1539615794 MBSKJLVPWSQEKY-FPCVCCKLSA-N 441.554 0.869 30 10 ICEE C=CCOc1ccc(/C=C/C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1OC 1557578360 VAIHMUFUQKOMND-OHOWAWRESA-N 443.456 0.968 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1595529791 ICIVHCASYHBUOY-UHFFFAOYSA-N 428.541 0.566 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1595556499 VPIBHBXUEDQTJP-UHFFFAOYSA-N 436.513 0.392 30 10 ICEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1617607403 ZTVILGKESBHLBA-QFIPXVFZSA-N 437.504 0.923 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)s1 1623817948 ZECXOVJOVJLCJL-CQSZACIVSA-N 449.620 0.885 30 10 ICEE Cn1ccn2c(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2c1=O 1625321797 OZBRUEKLKNNAFP-GFCCVEGCSA-N 425.836 0.622 30 10 ICEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CN1CCO 1626821683 IWBIESOENASVSL-IAGOWNOFSA-N 434.562 0.872 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cc[nH]n1 1632372433 ZOROXTJWUZLFJJ-LJQANCHMSA-N 442.520 0.798 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1632623312 ACXQKEGEVLBBPA-UHFFFAOYSA-N 449.414 0.317 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1632966358 NDCWXFNSMAMASJ-UHFFFAOYSA-N 425.308 0.475 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1648798612 BOUKXOLITRHTLV-PTSWNOGYSA-N 438.550 0.467 30 10 ICEE C=CCN(C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1671502136 COPOSYIOHJOUMX-CQSZACIVSA-N 431.536 0.951 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689984447 PMVNLDQFVXKNPU-DYESRHJHSA-N 446.529 0.732 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)C1 1690685191 XRRFXWVVWJKAGU-ZDUSSCGKSA-N 430.431 0.974 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705567339 WWMFXVAPXSGYEF-NXOAAHMSSA-N 435.550 0.529 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnn(C)n2)CC1 1705650281 OCOGROGPCBLIKL-UHFFFAOYSA-N 449.519 0.437 30 10 ICEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705686698 ICUJQECXSBHXJR-UHFFFAOYSA-N 449.357 0.988 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365220 CQBAUUHLGLZWPZ-OLZOCXBDSA-N 431.465 0.485 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)CC=C)CC1 1722433189 OKNZVAJFOCKCFD-HXUWFJFHSA-N 437.566 0.286 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H]2C)CC1 1722449603 MRNVWQFYSNAWJT-GOSISDBHSA-N 441.580 0.851 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)C1 1722710325 HCCDZRCMGRSVPQ-HBUWYVDXSA-N 426.543 0.148 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1731002493 GHRQJPFRLXEDGC-MSOLQXFVSA-N 447.517 0.767 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(C)(=O)=O)CC1 1740698213 UUJCZYYPAQGHFD-UHFFFAOYSA-N 433.534 0.762 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1748791639 YNWWYOYZWFXANX-SFHVURJKSA-N 433.534 0.875 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1749228878 DVPYGMQLRQWIOZ-QGZVFWFLSA-N 427.571 0.541 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1749734408 ITEAKOAUQYEMJB-MRXNPFEDSA-N 435.554 0.443 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1769339235 LFCMZTFGADIIBB-FUHWJXTLSA-N 437.504 0.922 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CSc1nnnn1C 1870297231 DVQQQPIMUJMOAY-OAHLLOKOSA-N 434.522 0.866 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267873551 QFLGCOFGMLWSKA-UONOGXRCSA-N 448.329 0.733 30 10 ICEE C[C@@H]1O[C@H]2CC(=O)O[C@H]2c2c(O)c3c(c(O)c21)C(=O)C1=C(C3=O)[C@H]2C[C@@H](O)[C@]1(O)[C@@H](C)O2 195755764 ONQCWTVJMHJRFM-LHKCJDRRSA-N 444.392 0.504 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCN(C(=O)[C@@H](O)CO)C3)C3CC3)nc2)OC1(C)C 215694435 AJPAOYKZOMZSFC-QAPCUYQASA-N 446.357 0.336 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC3)C2=O)n(C)n1 409514666 QYVDRKRGUQDKRX-WBVHZDCISA-N 437.570 0.178 30 10 ICEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 429476929 ZFKDQFJYJIBRCF-UWWQBHOKSA-N 431.518 0.583 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 549263079 BPECYFBOEWUNDQ-INIZCTEOSA-N 448.553 0.304 30 10 ICEE CC[C@@H](O)/C=C/[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](OC)(C(=O)c1ccccc1)[C@H]2O 575337894 GZAYJWNDYQINEI-CLCAAMMPSA-N 431.441 0.003 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 734272686 HXLPPCYHXXYPLH-UHFFFAOYSA-N 438.573 0.169 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncnn2CC)cn1 794441156 MHRQKPDDQSCWPH-OAHLLOKOSA-N 447.569 0.714 30 10 ICEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 1084250898 LOHTWIQQASAGLF-UHFFFAOYSA-N 435.495 0.362 30 10 ICEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1=O 1166220884 FNFZOOBXDYQUQX-HNNXBMFYSA-N 426.395 0.675 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)s1 1175204514 OZVPFFKHJJQXFK-ZDUSSCGKSA-N 427.548 0.245 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1183934042 RYKZHSGRLIGGTN-UHFFFAOYSA-N 429.477 0.794 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCCO1 1226724690 MRJJSSZDFXLRQM-SJORKVTESA-N 435.502 0.655 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)Cc1ccon1 1286300006 LBQMMDLWBXEPBL-HNNXBMFYSA-N 429.506 0.829 30 10 ICEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1296958102 AOLWBXXEYXOXJW-UHFFFAOYSA-N 431.518 0.982 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1300431032 RXUHXHTWFTZIII-ZDUSSCGKSA-N 426.543 0.825 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1300538543 UHOVQRQPRXRDHM-UHFFFAOYSA-N 427.530 0.986 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1300764250 VALUUGBHVBXIMK-AWEZNQCLSA-N 434.609 0.418 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301016697 BIQWAVVBKWKXKA-LBPRGKRZSA-N 442.933 0.228 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1301509536 IRMNPCCTGUHWIB-UHFFFAOYSA-N 444.540 0.087 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1302495464 QBUVGOZQLYIGEE-IRXDYDNUSA-N 443.533 0.471 30 10 ICEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1314632822 FNEYLQSBWNZOBL-UHFFFAOYSA-N 446.533 0.832 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1359300973 NXKMLHNZBGCJGY-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359343671 YFDUKLQOQPCGKI-KDOFPFPSSA-N 425.580 0.816 30 10 ICEE CCOC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1502502945 VSGRYTNNHMCXOP-AWEZNQCLSA-N 448.505 0.972 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1507641344 CSBZVNBPCVYWQB-WUKBZCGHSA-N 438.488 0.529 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507731240 DIVCMWYYCGKLBY-LSDHHAIUSA-N 449.499 0.903 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1508090110 HPQFDSZUNQPPDQ-CABCVRRESA-N 428.559 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cncn2)C1 1508143688 MVIQIKHJIAWQTR-MRXNPFEDSA-N 448.553 0.434 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1513408121 HDASNKDOUDABMV-MRXNPFEDSA-N 438.554 0.750 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1539267307 YJNGJDOYMHOQTB-LJQANCHMSA-N 443.529 0.741 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCC2)CC1 1539469987 WPBVNVAUYDANEH-QFIPXVFZSA-N 431.537 0.811 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1540903747 HLRBOYBESRIYCS-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588053965 JHKQPLJBKLCDPL-DLBZAZTESA-N 437.566 0.919 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1588055445 VXDYNRGVMMGGDW-IRXDYDNUSA-N 430.534 0.750 30 10 ICEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1588260903 BMXXHGKHVBJPSQ-OSRDXIQISA-N 426.395 0.556 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589060296 QNACGZRYYYNFHB-KRWDZBQOSA-N 447.609 0.586 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1620076249 YIXRHHURIONYMZ-IBGZPJMESA-N 428.493 0.821 30 10 ICEE C=CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)nn1 1622264827 QCFVTZQDIRBDEP-UHFFFAOYSA-N 441.311 0.896 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)CC1 1634876470 QFJZCPASNFISSG-QGZVFWFLSA-N 436.553 0.590 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821326 DBKUJHBVKSFOEH-KODHJQJWSA-N 427.523 0.798 30 10 ICEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1645267809 NWPXHVCWIZWBBI-YSSFQJQWSA-N 430.486 0.159 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1665719208 HEPAXLCUZMEHJQ-HXUWFJFHSA-N 449.577 0.163 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1690047532 STEDWFIBLHFSQA-GOSISDBHSA-N 445.549 0.361 30 10 ICEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1690183344 UWFROZINCHLQTG-AWEZNQCLSA-N 448.574 0.587 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC)C1CC1 1690544743 ACPWJBKHJGFTPE-RXAIFQJESA-N 431.584 0.534 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705564424 OCBGJZIIMPIGRT-IAGOWNOFSA-N 442.545 0.882 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1722385097 ZRPIEYMSBUFGNY-CQSZACIVSA-N 449.562 0.146 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2ccccn2)CC1 1722430715 IJBDNRMKQIKATP-QGZVFWFLSA-N 446.581 0.541 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)CC1 1740691325 ZHADHBHWLOXZNT-KRWDZBQOSA-N 438.598 0.729 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCNS(=O)(=O)CC)CC1 1740698512 WEKHWPUNSLXCBD-UHFFFAOYSA-N 431.566 0.349 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1748991454 XFCUQACYEPBIIW-QGZVFWFLSA-N 443.552 0.851 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1749666148 ICQROICVFLJONQ-CYBMUJFWSA-N 436.476 0.563 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1760137784 MSCRAJNUEASWCP-KRWDZBQOSA-N 436.582 0.242 30 10 ICEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760440279 GFKKEXAUYPPNSF-QGZVFWFLSA-N 432.525 0.256 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760522200 NPYZATHNFAASBG-HOTGVXAUSA-N 446.533 0.535 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760554109 RKBYDOPHAOFNBO-JKSUJKDBSA-N 433.538 0.527 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)[C@@H](C)C2=O)CC1=O 1854142917 LTUBFUAVRSUPCG-FUHWJXTLSA-N 433.530 0.919 30 10 ICEE CC(C)Oc1ccc(C(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856850904 TWPYNVWKXOWCNO-QGZVFWFLSA-N 434.518 0.686 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2267460015 HTWNRUCRLXLFNR-SFHVURJKSA-N 439.369 0.923 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 446869572 YUOQLOBITGDGFA-IBGZPJMESA-N 445.564 0.908 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506613983 KSPJHBZDBMQHJP-XMSQKQJNSA-N 429.569 0.896 30 10 ICEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 520480078 ORQUZDNYELFBQQ-IBGZPJMESA-N 436.534 0.683 30 10 ICEE CC(C)(C)n1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 536759672 DFHLVZLZEPEOGO-UHFFFAOYSA-N 444.517 0.981 30 10 ICEE CN(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 583337074 RAMYGPFCJGMHKA-OAHLLOKOSA-N 426.520 0.103 30 10 ICEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 757858448 XOVAYYZHDRCYSD-JKSUJKDBSA-N 437.584 0.619 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649024 MMCWZYHEYWXUKR-UHFFFAOYSA-N 430.530 0.606 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(F)(F)F)C(=O)C1 804713119 CBKBFRMQDUHVLI-UHFFFAOYSA-N 432.424 0.738 30 10 ICEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837697509 VCMHPRCHHSAOHA-UHFFFAOYSA-N 434.525 0.928 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1286377625 ZSQAZPDXJJJQNT-INIZCTEOSA-N 447.521 0.219 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1286693399 OTKDZWZDGJENFA-AWEZNQCLSA-N 425.559 0.849 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1286820465 LUERTTMSWZRQIV-QGZVFWFLSA-N 435.554 0.891 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1300487077 FSFCTHCHQYQOOM-YLJYHZDGSA-N 431.518 0.772 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1300554880 LHXQPOZEQMXIJR-UHFFFAOYSA-N 437.895 0.896 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(C)CN(C)C2=O)CC1 1300726956 SJPSWPAUZWUCKO-QHCPKHFHSA-N 435.532 0.708 30 10 ICEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CCN2C1=O 1314922144 FVHRFHPQKPTZOI-SFHVURJKSA-N 425.493 0.772 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358968602 RRZSXIRXXUHPBJ-MRXNPFEDSA-N 441.517 0.280 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1359057592 DLCANIPUNLKQJA-MRXNPFEDSA-N 438.579 0.717 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1507716467 RSGMSGJEALNCTH-LJQANCHMSA-N 431.585 0.528 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1508095675 QLMOHYIGVYCRGY-UHFFFAOYSA-N 444.565 0.481 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(C)(=O)=O 1513031769 UWFKPNJAEBOUDL-HNNXBMFYSA-N 432.554 0.934 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1541927703 ONEFRTYETRVISL-VBQJREDUSA-N 442.517 0.873 30 10 ICEE C[C@H](CC(=O)N1C[C@@H](CN(C)C)[C@H](CN(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557930776 OXHIGCRFBZGDAO-BRWVUGGUSA-N 435.594 0.702 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588054664 PIXTXRMXODDDCO-KSZLIROESA-N 448.593 0.730 30 10 ICEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589078721 XOFJJZODGOYKMH-QGZVFWFLSA-N 442.520 0.521 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1690190326 RJNFXZDVMBNTTM-OXJNMPFZSA-N 438.598 0.727 30 10 ICEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1696825499 RBJNIMGBZNXCBK-GOSISDBHSA-N 439.520 0.776 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559528 BYQMQALDWAGFQL-LVQVYYBASA-N 443.595 0.732 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1705604752 SSCNATVFJIVMKV-MRXNPFEDSA-N 447.565 0.628 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1705628324 DAIWJMZFGIZXSP-INIZCTEOSA-N 426.539 0.198 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722430090 WPKHYTLRSNOXCA-HXUWFJFHSA-N 444.628 0.445 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1748292832 SUSMAFRSHLZDGC-DLBZAZTESA-N 443.533 0.423 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCOCC1 1748655723 DWMAFEWUENJMOH-MRXNPFEDSA-N 435.492 0.628 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1748814826 JSVBYSIESBRGND-IAGOWNOFSA-N 426.539 0.809 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1748941141 YPBIFGUPENYQEV-AWEZNQCLSA-N 446.512 0.844 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2conc2COC)CC1 1748978223 IJLGAYYUSHGZQL-NRFANRHFSA-N 430.509 0.868 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnn(C)n2)CC1 1749016647 IZUSRDPMVABCLI-UHFFFAOYSA-N 437.483 0.546 30 10 ICEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749402313 LTCDQUCPFKCCOM-MRXNPFEDSA-N 444.540 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749736768 ONXGOIVNSICDDC-FQEVSTJZSA-N 432.550 0.827 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760514737 LZHZKKNUSMXRFC-MRXNPFEDSA-N 432.525 0.591 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1769286834 XYUIEOFJLSHMAC-HOTGVXAUSA-N 428.472 0.807 30 10 ICEE COCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1769703180 VURYMWLRELEFBW-CRAIPNDOSA-N 428.534 0.590 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1771189660 XBHYIHVIBCBRRQ-HDMKZQKVSA-N 444.533 0.868 30 10 ICEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2255613653 CLMXRUHJYVNRLV-WISYIIOYSA-N 433.236 0.850 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627318 QWUJXFYOXQHVPS-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267144603 YLQOLJXTVGYJMJ-UHFFFAOYSA-N 449.361 0.991 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1=O 440252499 GEYAYQZQRZIDOX-WMZOPIPTSA-N 449.529 0.823 30 10 ICEE CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 532976656 JNTCLFDJUJMEJD-HOTGVXAUSA-N 449.577 0.980 30 10 ICEE C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)n1cncn1 732706761 OCXWYRUXXXPNGE-KSSFIOAISA-N 436.476 0.615 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 743727473 CAZJUKGRWODWKF-INIZCTEOSA-N 430.530 0.660 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cn1 765145605 KQJUAEJZKCXARK-UHFFFAOYSA-N 426.502 0.580 30 10 ICEE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CCCNC(N)=O)(C(=O)O)N[C@H]2c1ccc(C#N)cc1 1088615850 APQGAVYIACDILP-GEYWLOKFSA-N 441.488 0.876 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1286363700 XECBKBMHXWBOEK-FQEVSTJZSA-N 433.534 0.890 30 10 ICEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286397729 UJAMRBFNCMGKPF-MRXNPFEDSA-N 449.508 0.759 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1286466945 MIOCCLNHYFVARI-MRXNPFEDSA-N 438.510 0.042 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CC1 1286479610 NMBKVNDRILERKC-GOSISDBHSA-N 442.545 0.458 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286789616 GRKNVOIBOROIHP-OKILXGFUSA-N 434.522 0.422 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300479625 QPOQCUCQUNZLAW-KRWDZBQOSA-N 436.582 0.529 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1300691162 XWKGNRRLEUITIB-NRFANRHFSA-N 440.529 0.122 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301612831 PPRXZJDVYWQBJQ-KBPBESRZSA-N 426.568 0.313 30 10 ICEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1358922479 GPWIRIXUVYOLHZ-UHFFFAOYSA-N 439.563 0.747 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359009932 BZAOJXXHFMULFY-HFUDNHEJSA-N 432.506 0.166 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359056181 ZVAAXYVWUXSDDP-ZWKOTPCHSA-N 431.610 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359331831 IYAHFLJWEYWKFJ-HZPDHXFCSA-N 438.554 0.135 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1360713079 FOCLJVAWDGFKLK-WBVHZDCISA-N 439.586 0.882 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2/C=C\C)CC1 1455116586 ZFBMBGYZJNXQFL-QXUXXFOKSA-N 440.566 0.657 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)CC1 1470904461 GNGBYHGLVXSCNJ-SFHVURJKSA-N 430.534 0.499 30 10 ICEE N#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1473780741 AIQGAQDFVCXABH-MRXNPFEDSA-N 434.518 0.526 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1477543746 XEENLTMPGZFHHD-FQEVSTJZSA-N 449.577 0.163 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1503373847 HLZUELHSRUEMTH-HZPDHXFCSA-N 426.433 0.931 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1507681019 PVLYCNPAUAHHGN-UHFFFAOYSA-N 425.536 0.357 30 10 ICEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508071698 BOIQONITGWUDHC-UHFFFAOYSA-N 445.568 0.644 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1516838545 PDZLQXKXZVROCZ-UONOGXRCSA-N 432.572 0.248 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)[C@H]1CCOC1 1517067684 RUDKQKCCANQRCO-OXJNMPFZSA-N 447.517 0.503 30 10 ICEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(S(=O)(=O)N(C)C)c1C 1538308714 QQZAGYRZPSHHOT-YJBOKZPZSA-N 425.532 0.564 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1538975011 WFOBOOTVBJCALL-LSDHHAIUSA-N 448.549 0.785 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539216467 SIEZAOIHRQMEHQ-MRXNPFEDSA-N 430.534 0.801 30 10 ICEE N#Cc1cscc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1539741009 XEGFSPFMKSITDJ-UHFFFAOYSA-N 447.542 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540897423 IUZZKQPGXPVZDX-MRXNPFEDSA-N 447.565 0.842 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1541803858 NIKDFRFWSRIAOJ-PMPSAXMXSA-N 426.543 0.776 30 10 ICEE Cn1cnc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(N)=O)C2)c1 1548367496 GBGKEMUNJQYVLN-AWEZNQCLSA-N 442.423 0.675 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(C)COCCO2)CC1 1588930116 NXBJWVQGLPCZRC-PGRDOPGGSA-N 431.537 0.943 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1589483489 OTZHSCGADOOLRW-DLBZAZTESA-N 431.541 0.957 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1593695638 GTZXOBQPTGAJBM-HNNXBMFYSA-N 428.559 0.540 30 10 ICEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1593788866 DPXGMCRGSZQFHD-QZTJIDSGSA-N 445.545 0.845 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)ccc2c1=O 1629568055 QFZKYVBPXKVOOX-HZPDHXFCSA-N 435.527 0.899 30 10 ICEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1665908535 FKACMWZOWBTYFM-MRXNPFEDSA-N 436.534 0.813 30 10 ICEE C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1686921928 VYTVLDLYOKGFTI-CQSZACIVSA-N 428.536 0.152 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988025 HODHLKRQBZMRMB-ULQDDVLXSA-N 436.582 0.586 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690508233 DKMWTQUITMXKSY-CABCVRRESA-N 425.511 0.414 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1705705702 KLCYPGKDFALFSH-APWZRJJASA-N 431.541 0.843 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1705946425 HKLRGYWZPQBKSU-CVEARBPZSA-N 427.596 0.620 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)COCCO1 1706867066 NKYCJOJGYRHSEW-KSSFIOAISA-N 426.543 0.824 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722364644 ISWJSJVVTSNPGG-YRISNDGFSA-N 445.545 0.431 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365288 DMNILUXQPPXFBS-ZWKOTPCHSA-N 449.577 0.811 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1726638147 CIPROTKFGIYXOZ-AWEZNQCLSA-N 432.506 0.440 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1748650756 DJQCZFPBMRFXBU-AWEZNQCLSA-N 439.563 0.746 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748814279 CKKFQBBMCKFVIJ-HUUCEWRRSA-N 448.574 0.978 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749732531 YIATUXWOBNBZNK-WMZOPIPTSA-N 434.566 0.949 30 10 ICEE C#CCN(c1nnc(CC)n1CCn1cc([C@@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1760187565 WVZPNCNHKUBRQK-SJLPKXTDSA-N 432.550 0.868 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1760202390 CABAOFLRLMXACC-QGZVFWFLSA-N 426.502 0.281 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760521145 LBFLNHIXTIXJNA-ILXRZTDVSA-N 447.540 0.881 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1766726907 ZOYZYXMQWCQVGR-CYBMUJFWSA-N 425.902 0.662 30 10 ICEE C=CCN1C[C@@H](C(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)CC1=O 1850196611 MIKFKEUQEPJCRA-INIZCTEOSA-N 438.463 0.931 30 10 ICEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(CCC#N)CC2=O)cc1 1856043242 AAKKHYHUZBTXSO-GOSISDBHSA-N 434.518 0.823 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677238 TVEZSWPOEFJFQP-JTQLQIEISA-N 428.320 0.737 30 10 ICEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)COC1 2243685966 FEYMQOVXKNJVLK-UHFFFAOYSA-N 426.304 0.491 30 10 ICEE CON(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2247847405 WQSRYMZSGXGJEM-UHFFFAOYSA-N 425.295 0.643 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248475685 DSACELCTBAWVKA-AWEZNQCLSA-N 442.343 0.772 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255628626 KKKNRYWRAUZSJL-KGLIPLIRSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633121 WRPFTWBBUVWJDP-TZMCWYRMSA-N 436.318 0.667 30 10 ICEE C#CCCN1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286033328 RJDTZFVWAAJGAP-SFHVURJKSA-N 437.518 0.773 30 10 ICEE CSCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccccc1C#N 247489847 BCKVEYJAKFQMSW-QOIOWGMHSA-N 431.470 0.855 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@]3(CCCOC3)C2)CC1 510635318 YEHXGIMFRYUPQW-NRFANRHFSA-N 448.545 0.273 30 10 ICEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533595176 YQYCPGLLZSUIQW-UHFFFAOYSA-N 430.490 0.380 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 568071359 VYAIKUWYHRRTNX-UHFFFAOYSA-N 428.449 0.932 30 10 ICEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)NCc3ccc(C#N)cc3F)no2)cn1 586863022 HGGOFLLBNZZDJG-MRXNPFEDSA-N 439.407 0.697 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2)c1=O 729674553 KAAQNTWFKGAJAJ-UHFFFAOYSA-N 434.514 0.966 30 10 ICEE C#CCN(C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 740819003 IGTWJDZRXNUKEI-CQSZACIVSA-N 429.516 0.517 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N\CCc2ccccn2)C1 760321390 QEJPBVDNMIINAT-DMOAKKIOSA-N 432.550 0.864 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 765880313 GKQPLMWUTYQDDT-SKQREZPOSA-N 441.488 0.282 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@H](C)C1 784907015 LWOGFOKBNQMJQR-ZLFSKHNOSA-N 449.533 0.517 30 10 ICEE C=CCc1cc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc(OC)c1OC 1167404644 CGBXRAGGLIEZCZ-GJZGRUSLSA-N 431.445 0.740 30 10 ICEE CN(C)CC#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1170993724 LOKMWGSQJYQAHC-UHFFFAOYSA-N 438.525 0.120 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCCS(N)(=O)=O 1213711530 HNFFTCAOAMKFPS-UHFFFAOYSA-N 437.584 0.720 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(CCCO)C3)CC2)cc1 1298083372 DJHVJEWPTNJPPI-IBGZPJMESA-N 434.562 0.922 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300478773 BDVFYXXGORABGX-AWEZNQCLSA-N 436.563 0.856 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1300701133 HWGZGOJSFVBOGR-UHFFFAOYSA-N 436.495 0.916 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300707672 HOHLKJCSPGTFRB-IERDGZPVSA-N 444.561 0.565 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1301519637 RADMRQZGNPESQN-HXUWFJFHSA-N 436.513 0.511 30 10 ICEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1302019684 JAHQUBJCZSTZEA-CYBMUJFWSA-N 429.481 0.897 30 10 ICEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1305236553 HZEXZGXTZOTHTR-BFESSNOMSA-N 431.522 0.697 30 10 ICEE C#CCN(C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1313253220 ZBKZBLMOQHNWNW-HNAYVOBHSA-N 429.539 0.844 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358958306 LCTPXDYXTUZVQB-RBUKOAKNSA-N 441.513 0.859 30 10 ICEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358965897 DEJZACFINNFOBT-QGZVFWFLSA-N 445.545 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)CC1 1359045833 VOWMEYWERAXKAC-QZTJIDSGSA-N 447.561 0.491 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359326912 MTCFLHNJHFPYRJ-LJQANCHMSA-N 438.554 0.077 30 10 ICEE N#Cc1cn(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)c(=O)nc1O 1470359996 GIJJOUMTYPVFBH-UHFFFAOYSA-N 434.250 0.519 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1494321358 MYCBLJDEUJMGSN-ORQRPPJRSA-N 443.508 0.759 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1508073439 XSLRCEZSWWLFLF-UHFFFAOYSA-N 438.536 0.840 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508078518 YIXTVIWECROMBX-QGZVFWFLSA-N 448.487 0.592 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1539632446 RZAOSKSLHSHLPG-TWMKSMIVSA-N 437.566 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540901881 SKPJPJWVFBGNFM-KRWDZBQOSA-N 430.538 0.456 30 10 ICEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1594943188 MUDMDRNCQGSZTL-UHFFFAOYSA-N 431.522 0.846 30 10 ICEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 1611084038 AQCALYPZUOXOCT-YTQUADARSA-N 437.518 0.914 30 10 ICEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(C)c1 1616328617 LCGWOSABDZAORY-SUMWQHHRSA-N 428.536 0.066 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1616335743 HEEABHLPNPSLRB-JJRVBVJISA-N 443.572 0.606 30 10 ICEE O=C1c2ccccc2C(=O)N1CC#CCn1cc(S(=O)(=O)N2CCCC2)ccc1=O 1643409000 OKPISYFCTWNIHL-UHFFFAOYSA-N 425.466 0.932 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)n[nH]2)c1C 1645673146 KELAFCAWSVUUTA-UHFFFAOYSA-N 428.540 0.863 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)CC1 1690124941 XHHRLXGZTDSJMA-SFHVURJKSA-N 444.561 0.777 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1690154519 QKXRGHRGAJNLKP-UHFFFAOYSA-N 426.550 0.997 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1690301871 ZYFVPDDVMCJNPR-AWEZNQCLSA-N 430.531 0.369 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2n[nH]c(C)n2)CC1 1690375625 PILDMUFGOKWJSY-HNNXBMFYSA-N 436.542 0.437 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690972609 DVSLUKQHUDJSEZ-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1705696022 DQAHVPLZQKDRRB-BKEDOTJMSA-N 440.570 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705937114 JBAMMBRRAYSHLI-HXUWFJFHSA-N 430.534 0.581 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1708152215 AOGUIFWYCPMNTD-JYTLGYECSA-N 429.481 0.323 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722370810 DXGWVYTVTIQRSC-SFHVURJKSA-N 442.549 0.548 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1722494633 QXLVFUCRVITAEN-WMZOPIPTSA-N 434.541 0.693 30 10 ICEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722556776 FWHBXAHPZRUBFD-CQSZACIVSA-N 446.895 0.765 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1722690531 KGPLIMAVDRKHFA-ZFWWWQNUSA-N 436.542 0.266 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740643493 JLSWWVXUFDVXAA-OAQYLSRUSA-N 428.514 0.788 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1740965789 MTLKXMJODOXFBV-WMZOPIPTSA-N 435.525 0.690 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740985090 BEAADMXKULVKRL-DNVCBOLYSA-N 441.554 0.401 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)C 1743234787 NKLCPWPGTLOHMW-CVEARBPZSA-N 439.524 0.637 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1747605884 AACHONJMHJOKOV-OAHLLOKOSA-N 444.583 0.202 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1748640184 QZEBUTHEEYLVFC-ZIAGYGMSSA-N 429.510 0.370 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1750216340 PQDHLXOCJJZSSX-INIZCTEOSA-N 438.485 0.664 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1760117477 PIISSKSANRWRJL-CHWSQXEVSA-N 432.344 0.978 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1760172358 YVVZKRXYWGLEOO-UHFFFAOYSA-N 429.506 0.991 30 10 ICEE C#CCN(c1nnc(CC)n1CCn1cc([C@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1760187563 WVZPNCNHKUBRQK-FUHWJXTLSA-N 432.550 0.868 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760515540 XDKGWQYZQFVEFS-CABCVRRESA-N 438.492 0.190 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc(OC)ccc1OC 1865721812 BXFAZQSHKBCBET-AWEZNQCLSA-N 428.445 0.098 30 10 ICEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870541599 GKOYBQUPRDBXBR-GOSISDBHSA-N 432.521 0.406 30 10 ICEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243020869 NLJLWEJTSNWRLM-CQSZACIVSA-N 429.514 0.657 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267880377 SNRKSWSFEWEHIV-KGLIPLIRSA-N 448.329 0.876 30 10 ICEE CC1(C)OB(c2cnc(N(C3CC3)[C@@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204873385 CSTZEOJPWUWKKL-IAGOWNOFSA-N 432.330 0.089 30 10 ICEE CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32CO)[C@H]1C 299817637 LYJKREGDQDJIDC-BESSIDIBSA-N 433.457 0.485 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474355607 PJRAEAAVVQJYLR-WBVHZDCISA-N 442.541 0.446 30 10 ICEE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 533059735 DAKPTTIFSQUCJM-VBNZEHGJSA-N 438.575 0.523 30 10 ICEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccncc2)c1=O 603797169 DGWRZYVTPUJPGW-UHFFFAOYSA-N 432.505 0.964 30 10 ICEE C#CCN(C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCS(=O)(=O)C1 774218368 PZWACVWOKNPLGF-IBGZPJMESA-N 438.594 0.543 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 786987504 WAAMOFXAIBPLMF-QGZVFWFLSA-N 440.891 0.929 30 10 ICEE CCOC(=O)C1(COC)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 794334217 HMPQMFSZIISNPE-UHFFFAOYSA-N 437.518 0.934 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)c1 794578876 GCQNUFABWSFZAW-IRXDYDNUSA-N 427.526 0.926 30 10 ICEE Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cnc21 916180418 POTRBOIABNGDQT-UHFFFAOYSA-N 440.363 0.526 30 10 ICEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CCn3cc(C#N)c(O)nc3=O)C2=O)c1 1137229277 HVBXYBCAHAIGIM-KRWDZBQOSA-N 441.444 0.492 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1286407812 RTCJNRLWFNDKSO-SFHVURJKSA-N 425.514 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(N)=O)cc2)CC1 1286490145 MHVSUXKNMXRXSS-UHFFFAOYSA-N 444.499 0.848 30 10 ICEE C=C(Br)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1286547549 HVWTYHTXHSCBBN-LBPRGKRZSA-N 446.331 0.997 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286606143 HYVQJUWLDOKCTC-INIZCTEOSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286787576 HGDGZIYVAGOIKC-INIZCTEOSA-N 439.524 0.324 30 10 ICEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(I)cc1-n1cnnn1 1298543731 VHIAVEHNYMLWNJ-SNVBAGLBSA-N 428.190 0.377 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1301568742 JTGYYOKKGAQNKH-ILXRZTDVSA-N 449.599 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1301587663 XGSZFUUDTUITPZ-HNNXBMFYSA-N 439.538 0.391 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 1310282506 QPQBLRAQVLOEIV-UHFFFAOYSA-N 438.510 0.885 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358960447 FAZUWWUPYMEEBI-QGZVFWFLSA-N 429.550 0.846 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359038523 ZABDFCWBTZYPFI-IBGZPJMESA-N 445.593 0.862 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1503267057 DESDQIGFMPOVQP-QGZVFWFLSA-N 433.538 0.664 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1505314201 AHRLIERJLLASTB-CXAGYDPISA-N 439.473 0.332 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1507657694 XHWRSMUOUJHPSR-UHFFFAOYSA-N 436.491 0.971 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)SC)CC1 1507736518 QPDJYQLOVFTDGB-ZIAGYGMSSA-N 442.611 0.606 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1508087068 NGWAMCWHMQHXLD-MRXNPFEDSA-N 427.484 0.997 30 10 ICEE CCN(C)C(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515311988 FXRSSOPOSBXEGM-XMSQKQJNSA-N 445.568 0.974 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1539408867 GFUXTRMUXOZOTH-UHFFFAOYSA-N 433.534 0.674 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539453296 HRZUJPOFLZCDFT-UHFFFAOYSA-N 428.562 0.986 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539722215 CFIKZYMUEHRXAF-OAQYLSRUSA-N 432.525 0.434 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 1539848129 LGVZXTMNSFBJHW-MRXNPFEDSA-N 426.543 0.294 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1555993172 JUCRYNWQDNUWQW-QLFBSQMISA-N 439.467 0.314 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2OCCOC(C)C)CC1 1558073050 KCUJXNZJHCKRLN-UHFFFAOYSA-N 439.534 0.724 30 10 ICEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1612274424 BVNSPXYTSYZQMY-INIZCTEOSA-N 431.518 0.922 30 10 ICEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1639821707 KRONJBLSDORSAQ-KJNZLNQQSA-N 447.513 0.545 30 10 ICEE N#C[C@@]12CN(C(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)C[C@H]1CS(=O)(=O)C2 1646439406 DVSIYVPOWWXQQP-KXBFYZLASA-N 449.510 0.768 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)CC1 1650846067 IKVUJFAESMXXAA-UHFFFAOYSA-N 443.485 0.265 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(S(N)(=O)=O)CC3)C2)C1 1651012656 QFOLCSUSCISWMM-FVRSWCFKSA-N 427.527 0.121 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1689965869 FLKKGZMMAWMIMS-IRXDYDNUSA-N 447.565 0.763 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690113595 OEGQZNPLOUJAIW-VGSWGCGISA-N 430.553 0.600 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690142385 MTTIPLAZXNTTTF-MRXNPFEDSA-N 442.545 0.741 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1690301872 ZYFVPDDVMCJNPR-CQSZACIVSA-N 430.531 0.369 30 10 ICEE Cc1nnc(N2CCN(c3ncccc3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693552054 HBCXKIBCMAMDHI-ZPHPHTNESA-N 426.456 0.974 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705565478 UZBREYUVMBSUBH-GOSISDBHSA-N 440.529 0.922 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1705577095 UQYKJJBJXAIBPP-SFHVURJKSA-N 443.529 0.684 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722368501 REZRFMFRCDSQCU-UWVAXJGDSA-N 440.566 0.586 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748817404 KHHUTTLFSFAHTC-IRXDYDNUSA-N 437.566 0.571 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCS(C)(=O)=O 1748876599 MBTIUOFXHUFWAJ-UHFFFAOYSA-N 438.517 0.818 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)C)CC1 1749303313 IACNGWPRHKCCGP-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1751228853 ARZWWEQDYSRLRX-KBPBESRZSA-N 434.526 0.126 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCCC2)CC1 1760253900 KPGQVJQVLMCAFY-MSOLQXFVSA-N 437.614 0.518 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCCC2)CC1 1760253906 KPGQVJQVLMCAFY-ROUUACIJSA-N 437.614 0.518 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760281934 SDUXWCIHDUXBSP-AWEZNQCLSA-N 446.620 0.560 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1760284175 HKZDEJAGULPEHS-UHFFFAOYSA-N 431.566 0.761 30 10 ICEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CCCNC3=O)cc1 1851741723 VUKQDOSYFRKFEE-GOSISDBHSA-N 439.472 0.825 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cs1 1890907220 WNNKGAPZRHSUFZ-UHFFFAOYSA-N 438.517 0.993 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267880381 SNRKSWSFEWEHIV-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)cc1 33925242 YELXMXCHBJNWFW-HOTGVXAUSA-N 439.538 0.161 30 10 ICEE biogenic C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2C1=O 532668372 OGNAHUBVEVONQB-IBGZPJMESA-N 448.479 0.801 30 10 ICEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1C 589157389 WZWDCLVGQHWHLM-UHFFFAOYSA-N 425.510 0.893 30 10 ICEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)s1 752195504 YIKAMRXAWVEDPT-UHFFFAOYSA-N 446.598 0.989 30 10 ICEE CCn1c(O)nnc1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 764639376 BPRHIJXRBPPCMZ-UHFFFAOYSA-N 432.506 0.838 30 10 ICEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2Cl)C[C@@H](C)O1 816694189 AFUOSMULSDNDKR-JTNHKYCSSA-N 431.898 0.858 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1175514760 HSRYZWJOQQIWBB-UHFFFAOYSA-N 428.555 0.635 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286472908 MNTNTQMRCKLBFG-PXNSSMCTSA-N 437.566 0.120 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793385 XCGHZFPTBYWAKH-UTKZUKDTSA-N 434.541 0.726 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1286820161 GFCXKFGESVADSM-YOEHRIQHSA-N 447.517 0.703 30 10 ICEE C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1291167715 UAONEQNYBGQWHS-GVOGQVFTSA-N 448.549 0.941 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300479286 KTOOTEIRSOGSJK-LSDHHAIUSA-N 432.506 0.587 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300488021 ACLSPULEZFRORG-INIZCTEOSA-N 437.547 0.121 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1CC1(O)CCS(=O)(=O)CC1 1300555982 AVJTXWXYEFKHFL-QGZVFWFLSA-N 438.550 0.405 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1300631909 XZYXCCXGVBIIGB-IRXDYDNUSA-N 447.565 0.530 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1300769707 JDPNYMRIFAQMGK-UHFFFAOYSA-N 431.566 0.801 30 10 ICEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301033419 IFAAHCORNMJQNU-HNNXBMFYSA-N 443.895 0.896 30 10 ICEE N#CCC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1307709092 BAWNONWNNBNKAJ-UHFFFAOYSA-N 428.514 0.633 30 10 ICEE CO[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315708449 CJRHIQIAKKSQJU-ROAZCBAYSA-N 445.524 0.804 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CC(F)(F)C2)C1 1316354342 GLVOQEOMHCCCSM-UONOGXRCSA-N 446.480 0.385 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(F)c1 1360712590 AYJGAZMGUPQTAX-CJNGLKHVSA-N 438.485 0.835 30 10 ICEE C=CCOC[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OC 1463598825 MRHUGWSQDSWGBD-NSHDSACASA-N 433.284 0.823 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)C1=O 1471400833 AGWRXCIRGFZILU-SECBINFHSA-N 425.385 0.307 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 1479310504 KVPMKCKRMJOORA-MRXNPFEDSA-N 449.533 0.928 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1505136507 BEQIIIGNFHFFRI-KSSFIOAISA-N 439.517 0.124 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1507513530 AHSRWBWFKKKOPQ-BBWFWOEESA-N 426.587 0.847 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1507752355 ZGYIJJSBTWJVQN-LSDHHAIUSA-N 425.580 0.509 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508093219 UQXGRBJLRJEQIY-DOTOQJQBSA-N 447.565 0.285 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C1 1510290094 GGKQCMAHDOZZLV-FRQCXROJSA-N 438.554 0.778 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1519409799 OTRZLXKQPDYLAZ-YVSFHVDLSA-N 440.570 0.879 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539231519 SWIDSPDPGOAKEX-APWZRJJASA-N 441.623 0.879 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1539516806 DKABSQNCGATXII-IAGOWNOFSA-N 439.607 0.899 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1 1569042138 XGQCNKQKPIKWJB-QGZVFWFLSA-N 429.502 0.366 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1588084485 RQVIYJBFDXIQTA-CQSZACIVSA-N 429.506 0.363 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1588595693 YOHXUOTXKSJYMJ-IIBYNOLFSA-N 448.545 0.975 30 10 ICEE COCCOC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1635827993 WQALCMLMGACNCC-HNNXBMFYSA-N 425.507 0.553 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)CC1 1644284682 CATDWSVNHXNPMI-BEFAXECRSA-N 426.539 0.388 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 1667521928 YLYRNPHMRDSBPO-UHFFFAOYSA-N 449.758 0.943 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 1681739844 TXTHQOUPVOVCIO-JSGCOSHPSA-N 446.576 0.150 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1690093651 GDENCMKAXDLVHQ-CVEARBPZSA-N 435.554 0.748 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1690154965 BOASDUOFZGWXCA-ZDUSSCGKSA-N 430.556 0.143 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1698253947 GQXYGGHOSFXZOA-JYJNAYRXSA-N 442.542 0.059 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705637131 KRTXFBASDSPMBF-GOSISDBHSA-N 428.562 0.982 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2noc(CC)n2)CC1 1705644672 YXKULIAPCOKUKG-UHFFFAOYSA-N 442.524 0.570 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712173712 PNDNONLESZUEBV-ZBFHGGJFSA-N 445.503 0.454 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722362869 WSJQUPUFIFJONS-FOIQADDNSA-N 442.501 0.863 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNS(C)(=O)=O 1730944376 NLMMODIFVVJDDJ-HOTGVXAUSA-N 426.543 0.681 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2c[nH]nc2C)CC1 1740705048 BEPHUEMEWVYZPP-SFHVURJKSA-N 438.536 0.859 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740758403 XFAZKCUNYJXNDJ-NVXWUHKLSA-N 435.554 0.741 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740786356 ASUJAQBIGYEHDT-UHFFFAOYSA-N 442.586 0.869 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740964113 IHOWFFIWSFSOSF-HNNXBMFYSA-N 429.456 0.512 30 10 ICEE Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1742500939 HEPYIOOEMXIXBN-HOCLYGCPSA-N 436.542 0.412 30 10 ICEE CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1748294284 DQDISJAUWDRNSU-CYBMUJFWSA-N 444.521 0.480 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760155403 XLFVCCAGMCASPY-FUHWJXTLSA-N 447.565 0.752 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1760336728 HQJNCCRTFSPALI-OAHLLOKOSA-N 425.555 0.865 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1763116014 ALENCOWCHGVXNG-OFGXNVERSA-N 429.481 0.371 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 1769059498 GWLBDJAEDYUTBJ-QFIPXVFZSA-N 439.520 0.354 30 10 ICEE C#CCS(=O)(=O)CCNC(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O 1853169958 XLHJIAKCFANOQQ-UHFFFAOYSA-N 430.486 0.326 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)CC1=O 1855149603 QDGWWPDCTGIAAV-HOCLYGCPSA-N 425.507 0.573 30 10 ICEE COC1CCN(CC(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)CC1 1855953455 IYRQTQFPBDFNNT-UHFFFAOYSA-N 434.518 0.747 30 10 ICEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O 2017545973 BMWCCTUSKYGKGQ-QWRGUYRKSA-N 447.373 0.847 30 10 ICEE Cn1cc(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 2255653290 GZEAOUAIBKKMGZ-KBPBESRZSA-N 436.318 0.429 30 10 ICEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n[nH]1 440754782 JNEABRREFRBPSC-UHFFFAOYSA-N 437.439 0.593 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@@H]1CCCO1 477440396 APCRAMHQRKLVLG-INIZCTEOSA-N 440.525 0.688 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478753939 MIOQUCAIYVVIEK-RDJZCZTQSA-N 442.541 0.804 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 524463766 SPXHBFOWQVPOSR-UHFFFAOYSA-N 444.584 0.008 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 603786344 JYLXYMWVTVODEV-UHFFFAOYSA-N 436.468 0.795 30 10 ICEE CCN(CC(=O)NC(C)C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610705321 CYARYMNYTAARAI-UHFFFAOYSA-N 435.550 0.238 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C#N)c2=O)c1 763460778 OLAHAWSXSNUMNH-UHFFFAOYSA-N 445.504 0.471 30 10 ICEE C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 810161307 HNEXVTUCDUFZDJ-GOSISDBHSA-N 430.548 0.559 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)ccc1F 1180243655 IABJBYYDWOLWRE-UKRRQHHQSA-N 429.470 0.469 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286392617 IUKMGDPTJWYTHW-MDZRGWNJSA-N 426.539 0.196 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1288841493 PRSICZINGAJZIL-NJSLBKSFSA-N 437.570 0.933 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1288869547 IHDAKXOEQINTIH-ZBFHGGJFSA-N 442.542 0.203 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1300916437 XBCYBUPAFQGZOU-VQIMIIECSA-N 443.570 0.819 30 10 ICEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1303111668 LPIHDMKDFMFXQS-UHFFFAOYSA-N 427.548 0.840 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 1309227802 IKOFZLQTKRKPQK-UHFFFAOYSA-N 441.937 0.881 30 10 ICEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1457393299 GUIZBWCURPZVBE-UHFFFAOYSA-N 426.491 0.965 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC)c2ccccc2Br)CC1 1471451478 UAPDQGRFKHWKPA-OAHLLOKOSA-N 430.324 0.748 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1503283583 VKWFKKRSISFQET-HXUWFJFHSA-N 443.533 0.472 30 10 ICEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CCO1 1504720321 DWHBSWWLOFFTOQ-GOSISDBHSA-N 440.504 0.950 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507636581 BAHVWLTWVJECLU-DAYGRLMNSA-N 426.564 0.624 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1540897927 VWGZWPSOBCOOOD-CABCVRRESA-N 449.599 0.350 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1555985011 GMBOPCMWDUNWKL-IIYDPXPESA-N 445.421 0.934 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccccc3S(=O)(=O)C(F)(F)F)C2)c(=O)nc1O 1558806601 VAHDDNOTHJZONJ-UHFFFAOYSA-N 428.348 0.811 30 10 ICEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 1586493725 DNDYRSUXSHHSAA-UHFFFAOYSA-N 432.546 0.321 30 10 ICEE CN(C)CC#CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1587078704 GHDJNEQVFJFUJV-AWEZNQCLSA-N 448.467 0.299 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588034774 LTMDBPBKXKTZDB-OXQOHEQNSA-N 438.550 0.593 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1588040599 PBWSWGMGYARFDD-KRWDZBQOSA-N 441.517 0.872 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1589109966 LYVMLNUHDNNRTA-UHFFFAOYSA-N 444.609 0.716 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1620110884 DRLXKVOSEBVVBU-BBWFWOEESA-N 439.538 0.556 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1 1632961332 WDDBCKANIHQHBV-HJWRWDBZSA-N 444.557 0.550 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1636475681 SAKJPEGFKIZEEA-UHFFFAOYSA-N 428.470 0.956 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 1639623003 OESJQEOKSHRTKJ-UHFFFAOYSA-N 441.517 0.205 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1653807128 VUEBCIRGOUZNRA-UHFFFAOYSA-N 426.516 0.018 30 10 ICEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2I)c1 1659636471 ATIGNHOTAKNDBB-UHFFFAOYSA-N 444.254 0.923 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 1670499024 KVFKBXGAWXWRMM-UHFFFAOYSA-N 445.545 0.993 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689977834 FAQXZPCVSJYYNA-DLBZAZTESA-N 436.582 0.527 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1689987715 BDYYBTOYCSZXLQ-GOSISDBHSA-N 446.577 0.853 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690119530 IONRRIUWSKZNDJ-HXUWFJFHSA-N 433.509 0.389 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1705583250 TWGCQXOCCZERFX-RBUKOAKNSA-N 433.578 0.490 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1705697788 NUWHQARRMCNIPV-DZKIICNBSA-N 426.543 0.196 30 10 ICEE Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707876118 MCWRTQKGDPEHOU-VHEBQXMUSA-N 427.509 0.952 30 10 ICEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1707909901 HXVZOZQSLBJXOO-IBGZPJMESA-N 434.497 0.474 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1722368083 PEFCYHQKDSAQBX-HOCLYGCPSA-N 441.579 0.064 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1722370751 OGBWEYQBBALXCI-KRWDZBQOSA-N 435.488 0.493 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1722394354 SLLYOKRSEUMUEB-UHFFFAOYSA-N 427.534 0.837 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722429444 MFTCOWRWVXKQHT-QGZVFWFLSA-N 434.566 0.094 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722433063 KILCBKDQIDRLHG-FQEVSTJZSA-N 449.964 0.903 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1722461056 LNOPTBCTLFPWKQ-INIZCTEOSA-N 443.595 0.186 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722532867 YWRUNKKNSKINRW-CQSZACIVSA-N 431.497 0.343 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722726467 AJISYQUBCVNTPU-MRXNPFEDSA-N 445.549 0.805 30 10 ICEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CC[C@H]21 1729564854 MBYSYRFBCIBIAG-DLBZAZTESA-N 428.518 0.918 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740617639 UTDZUBGKQQJRQB-JKSUJKDBSA-N 449.499 0.866 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740623358 RYERRJDZLBZDHS-SJORKVTESA-N 445.549 0.451 30 10 ICEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740806807 FTZDEESDALCPFE-CYBMUJFWSA-N 446.895 0.862 30 10 ICEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1740946826 INJCXXFHVNMRJE-AWEZNQCLSA-N 444.558 0.758 30 10 ICEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1741055783 QRENWEHTFVFIDP-VQTJNVASSA-N 440.504 0.937 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nnc(C)s2)CC1 1749008603 FBRSIVMZODQXNL-UHFFFAOYSA-N 425.522 0.853 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749039513 VXRBGIIROVNJIG-KBPBESRZSA-N 432.593 0.170 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1749157946 AZVCMQRKEVXTGL-QGZVFWFLSA-N 437.570 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749730427 DONPBTMNBVBDDD-GOEBONIOSA-N 431.522 0.583 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770336908 JWYYOUODBYEYJV-ZDUSSCGKSA-N 432.506 0.752 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1772567120 OBWATWCJMTWHSL-HOTGVXAUSA-N 440.570 0.588 30 10 ICEE C=CC1(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 1993251770 UAZALZRGZCIVCM-HZSPNIEDSA-N 427.498 0.619 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404254 JBQLPMNOHOBSDS-QWRGUYRKSA-N 440.331 0.568 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626826 KXPACSZNLVEQRC-UHFFFAOYSA-N 436.318 0.811 30 10 ICEE CN(CCN1CCCS1(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 611429874 AUUVSARLTGOTKF-INIZCTEOSA-N 425.580 0.424 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730137505 GFVWSJAJTXNVOB-KRWDZBQOSA-N 431.562 0.921 30 10 ICEE C#CCN(C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 774218371 PZWACVWOKNPLGF-LJQANCHMSA-N 438.594 0.543 30 10 ICEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 802633154 PQRMGZNRXOHOPU-JZRFMTABSA-N 435.506 0.175 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 812196497 RTBOXUXGRILMJQ-LSDHHAIUSA-N 444.558 0.269 30 10 ICEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 895033477 BJYLXSISBJNUGW-AWEZNQCLSA-N 439.490 0.573 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286394820 WYKPREBLNIYZIY-IBGZPJMESA-N 448.593 0.021 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1286522907 PUEXYTOYQPIDMY-WMLDXEAASA-N 426.564 0.750 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286787836 KFSDRFCHSAJBLK-OWCLPIDISA-N 440.570 0.396 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300885633 RIRCACMTFGGJME-NTDBWNAOSA-N 432.525 0.552 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)CC1 1301124429 IGKWHXLZHIUFQZ-HNNXBMFYSA-N 426.543 0.102 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2C[C@H]1CO2 1301567067 FJUIEQVVIMJCIH-GJZGRUSLSA-N 432.506 0.894 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1315066589 CFOYDUSEVPKNEQ-UHFFFAOYSA-N 429.506 0.177 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1316530990 LJQVIPUOXPUSNR-HNNXBMFYSA-N 427.490 0.374 30 10 ICEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 1317725598 AWTQUTOLYJZWSY-HNNXBMFYSA-N 447.590 0.975 30 10 ICEE C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1320582968 CFFPMTHAPYXACZ-OAHLLOKOSA-N 445.563 0.615 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1443358736 SWKLRSIDWCIVML-RCZVLFRGSA-N 438.572 0.809 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@H]1O 1503883202 SEKIDSNPQKUJSM-HUUCEWRRSA-N 448.430 0.558 30 10 ICEE COC[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504568503 TVOJUPPUVZOZIO-UONOGXRCSA-N 446.533 0.998 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507637135 IBHALYAFEMRYJK-RCCFBDPRSA-N 437.566 0.477 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)c2cccc(O)c2)cn1 1517376416 QILPQKLZAOXGJW-SFHVURJKSA-N 436.476 0.933 30 10 ICEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)c1ccc(Br)o1 1538539514 IQDSGXLGGKEHRU-BONVTDFDSA-N 430.280 0.511 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540035474 CXMOSXHFGAWUHT-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1540864553 DFDOWWQBPNTABA-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)C1CCOCC1 1585148824 KBRLCNWUVMBTDG-ZWKOTPCHSA-N 436.530 0.773 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1595550304 CGCUJYPNMXXHFX-PBHICJAKSA-N 426.477 0.760 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)N1CCS(=O)(=O)CC1 1596057774 FGZICJAOTUSDCU-HNNXBMFYSA-N 442.563 0.388 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1618839790 FWEJBRLNORLHAJ-ZDUSSCGKSA-N 440.551 0.494 30 10 ICEE C#CC[C@]1(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CCCN1C(=O)OC(C)(C)C 1626166542 GGQJITIMARPPRB-QGZVFWFLSA-N 435.568 0.953 30 10 ICEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512665 OEIOSGNZHZEKDE-YYFZDKIDSA-N 434.518 0.914 30 10 ICEE N#Cc1cn(CC(=O)NCCOc2ccc(I)cc2)c(=O)nc1O 1639401819 ZWHHIBIACYPDDO-UHFFFAOYSA-N 440.197 0.620 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1689908148 YABWDOOMCCXRNC-SFHVURJKSA-N 427.553 0.670 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCSC2)CC1 1690112434 XWRYEAGNWCZREX-CVEARBPZSA-N 426.612 0.787 30 10 ICEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1696874937 UBCMHUOGEJFONL-ORAYPTAESA-N 429.506 0.477 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)N2CCOCC2)CC1 1705647880 NZRWXIFRSHQMTO-UHFFFAOYSA-N 428.537 0.760 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705909063 LPAQSCYZMLBQMR-IAGOWNOFSA-N 433.557 0.469 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCCCO)CCN1C1CC1 1712885857 APWFJBZPPNZHOW-QGZVFWFLSA-N 433.582 0.693 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1722396728 KEOIHNUDLUMAPM-IRXDYDNUSA-N 438.575 0.610 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722435736 NRHMMQZMBPEQFF-SFHVURJKSA-N 437.504 0.697 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722730287 NJJWRCWJVWWLPE-IAGOWNOFSA-N 436.582 0.674 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1740738206 DVELJZGPLGDILA-RYUDHWBXSA-N 438.348 0.649 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740786453 DKOQNZWNNJIGCJ-UHFFFAOYSA-N 440.570 0.625 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740963149 AVXHJPQPGLUXLD-CHWSQXEVSA-N 446.489 0.686 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1748719398 WWHXSLWVCUTEPJ-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1748790037 DKVVZUIWEOBXNF-INIZCTEOSA-N 434.518 0.678 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748814983 MHSZCSWWCPRPIV-HZPDHXFCSA-N 431.522 0.061 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1748965928 XEJGWWHOIUJMKZ-SFHVURJKSA-N 448.549 0.335 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCO2 1751231808 GYCDTVNGBZDNAA-OCCSQVGLSA-N 434.478 0.394 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760187146 UGBSCGUYPIBRQV-GOSISDBHSA-N 444.561 0.747 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(CC)CC1 1760225468 QFSBNUCNASPKIC-DLBZAZTESA-N 425.603 0.374 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760519891 STEIWDRMAWYJSP-AWEZNQCLSA-N 433.490 0.599 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1760524752 IEYRSIMEPGFIKM-UHFFFAOYSA-N 448.474 0.744 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1760554999 SYRJZQRRJOKKQN-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)[C@H](C)C2=O)CC1=O 1854924332 CACXSXLOQDHDBJ-VXGBXAGGSA-N 425.429 0.362 30 10 ICEE CCn1c(=O)c2cc(S(=O)(=O)NCCN3CCC(C#N)CC3)ccc2n(CC)c1=O 1890284433 GJOZUKJZUAQCJM-UHFFFAOYSA-N 433.534 0.717 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255614627 HJRPGCHUKSKYCJ-FQEVSTJZSA-N 436.318 0.811 30 10 ICEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CNC(=O)C(F)(F)F)C1 2267142367 SOZBUOUASAEXQF-LLVKDONJSA-N 445.251 0.144 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc2Cl)OC1(C)C 2284410452 BWHSHPXUSJHSLR-SECBINFHSA-N 425.721 0.815 30 10 ICEE C=CCNC(=O)c1ccccc1NC(=C1C(=O)N(C)C(=O)N(C)C1=O)[C@H](F)C(=O)OC 9771152 FWLUGWIPSZUHFP-AWEZNQCLSA-N 432.408 0.830 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 795082033 WVZCSVYCDSVJFE-NQIIRXRSSA-N 442.564 0.392 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4cnccn4)CC3)cc2C1=O 853261441 LQPWFFJGJAJZPW-UHFFFAOYSA-N 435.440 0.764 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1286479828 NYVVBUCTPQNGSU-UHFFFAOYSA-N 434.504 0.035 30 10 ICEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286504471 RSMITVCGMRNEQG-UHFFFAOYSA-N 441.561 0.911 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCS2(=O)=O)C1 1286799732 ZHWULKQJICUVMK-OAHLLOKOSA-N 426.543 0.233 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1301402410 HAMWOWXCVRLGPN-QGZVFWFLSA-N 435.554 0.880 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1303835485 ASZWCTIXZBWVIC-MLGOLLRUSA-N 448.546 0.155 30 10 ICEE N#C[C@@]12CN(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)C[C@H]1CS(=O)(=O)C2 1312449743 GRRNONYBTOIUSW-YJBOKZPZSA-N 438.531 0.306 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1316533652 YUQOAMNKLNMPLO-YTQUADARSA-N 440.504 0.970 30 10 ICEE Cc1nc(CN2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1 1323024189 VSNNJZHELOQFID-KRWDZBQOSA-N 436.476 0.534 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358963597 KSEMDOLDVRQPKK-ZACQAIPSSA-N 449.577 0.714 30 10 ICEE COCCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1460201470 FSCWTJBCDRFHBA-UHFFFAOYSA-N 430.914 0.771 30 10 ICEE CC(C)C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1463162523 BQYWGBNTXLKURF-BWRRFVNYSA-N 433.530 0.749 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3C)CCOCC2)CC1 1477583533 DDJTWFPFFVYJBF-UHFFFAOYSA-N 434.562 0.838 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1508132077 UPLSNZWYQJCAJR-HNNXBMFYSA-N 438.554 0.077 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508145031 ZTIFTLBJLRQGFS-QGZVFWFLSA-N 447.565 0.552 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1508160243 DDLDNUOKGFACCX-CABCVRRESA-N 431.584 0.755 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539206569 RKMZABWVQJNXNB-KRWDZBQOSA-N 434.518 0.641 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539824514 VZSUVTJCHWRCLO-OAHLLOKOSA-N 438.916 0.390 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1620075757 OBMKBCMQLJHEAV-UHFFFAOYSA-N 428.493 0.775 30 10 ICEE N#C[C@]12CN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C[C@H]1CS(=O)(=O)C2 1627137364 WPYZFBCFDKANPY-XHDPSFHLSA-N 426.380 0.691 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1628146945 SQESCTMIZMEXMB-LJQANCHMSA-N 428.508 0.500 30 10 ICEE C#CCN(CC(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C)C(=O)OC(C)(C)C 1629378667 CZCHYFOTDCCEJD-ZIAGYGMSSA-N 427.523 0.826 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@H]4COCC[C@H]43)C2=O)cc1 1642368282 HXKNSPWRURYEHP-ZACQAIPSSA-N 446.485 0.178 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCc2cnccn2)CC1 1643280525 KESRHNAQSIVXPS-INIZCTEOSA-N 428.518 0.402 30 10 ICEE C#C[C@@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)C1CCOCC1 1645985535 CPACLIPFQKBNFQ-MOPGFXCFSA-N 435.546 0.760 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1648790226 AZWOYAOXKHKIFU-UHFFFAOYSA-N 437.865 0.421 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@@H](O)CC3(C#N)CC3)C2)CC1 1652829951 HWVKOILASSEZAR-HNNXBMFYSA-N 428.555 0.608 30 10 ICEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1653539833 ILIATMXGEGXDFF-LSDHHAIUSA-N 433.513 0.973 30 10 ICEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)N1CCSCC1 1689944500 UBRFLIVWVQRPIV-UHFFFAOYSA-N 442.611 0.645 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1690100809 CRRSEQJPZRXECR-UHFFFAOYSA-N 437.504 0.756 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC2(C)C)CC1 1690136416 DXRUIHULRPWKOC-GDBMZVCRSA-N 436.582 0.900 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690659281 OXEYEUIVHNHICS-UHFFFAOYSA-N 445.549 0.742 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1706887741 QOVDRZKNJOQLNG-YALNPMBYSA-N 437.570 0.490 30 10 ICEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710877096 PQDZFQCQGKNLIV-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCN(C)C 1723940742 CVJAOPQNODHFSQ-YJBOKZPZSA-N 427.575 0.597 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1740548814 CDEOVTUNWRVNCL-GVDBMIGSSA-N 437.566 0.886 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740623300 RCKSZJAMQWTTPV-MRXNPFEDSA-N 426.564 0.607 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)n2)CC1 1740690788 NRIDBWJKIIRJRM-GOSISDBHSA-N 445.593 0.980 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740990408 UCUZTYYWAOOCAM-KXBFYZLASA-N 436.538 0.664 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1748790707 KYLIMHLXVFSCNN-ZDUSSCGKSA-N 438.476 0.175 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1749918226 NIDROOSEZANHBL-UHFFFAOYSA-N 439.520 0.948 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1760186161 AZWXOHOTHQSPQJ-XJKSGUPXSA-N 428.474 0.369 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760382386 PBECLPIYSMMTTR-HUUCEWRRSA-N 431.584 0.870 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760525015 QSIWLENGJXTBKW-MSOLQXFVSA-N 431.585 0.960 30 10 ICEE CCc1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762894370 MHMZJRXOGWRFLL-BVYOUEPQSA-N 431.541 0.912 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1763221534 GQLKCJGLYZAGLT-GOSISDBHSA-N 440.504 0.985 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766728458 MVVYIMNAQWLJMX-RDJZCZTQSA-N 437.570 0.288 30 10 ICEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCN(C[C@@H]4CCS(=O)(=O)C4)C3)CC2=O)cc1 1856388304 VRLDVWCIJWDKSO-HKUYNNGSSA-N 430.530 0.352 30 10 ICEE CC(CO)(CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282303880 BWKSXYUFXYGQJV-UHFFFAOYSA-N 425.765 0.970 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NCCC(CO)CO)cc2Cl)OC1(C)C 2282307785 IIFMDWYPASJEQC-UHFFFAOYSA-N 425.765 0.970 30 10 ICEE COCCN1C[C@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)[C@H]2C1 248011852 FFLZBDYBQPZSFO-MOPGFXCFSA-N 432.546 0.748 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)n1 479388887 CFJMQRISPLUNKQ-UHFFFAOYSA-N 443.488 0.956 30 10 ICEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 506891306 NXJZXOZHPXPFCN-HOTGVXAUSA-N 432.506 0.865 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561726869 LKGXLSLXMMUGQN-QZTJIDSGSA-N 433.534 0.772 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@@H]1CCCO1 603798432 LWDVPRMASGOKQK-SFHVURJKSA-N 441.553 0.971 30 10 ICEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1C(=O)NC[C@@H]1C(=O)O 757542750 LRNQKYQWWQJJHQ-RXVVDRJESA-N 447.447 0.844 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)n1 788820000 MRDUJIMGDFSNML-UHFFFAOYSA-N 438.488 0.313 30 10 ICEE Cn1cc(S(=O)(=O)NN=C2CCCN(C(=O)OC(C)(C)C)CCC2)c(=O)n(C)c1=O 800814750 XAZGGGLVJZLLFT-UHFFFAOYSA-N 443.526 0.529 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 1115948738 VFVLHYYVKWDKJX-OAQYLSRUSA-N 440.481 0.583 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 1175523339 SCSJLCWXWFNIEF-IYBDPMFKSA-N 428.555 0.682 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1286430882 KGCGYKVTMPZEHC-GOSISDBHSA-N 427.530 0.699 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1286607730 JYMGTGTYKWOZIS-SJORKVTESA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1286820158 GFCXKFGESVADSM-PBHICJAKSA-N 447.517 0.703 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1300307648 HIYGSPNUCULASW-ZBFHGGJFSA-N 434.522 0.521 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301577948 QJBXQILCRSJLDG-CQSZACIVSA-N 429.568 0.754 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301579465 SDCKMLJXANLZKI-MRXNPFEDSA-N 448.553 0.320 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1356149653 LLCUVOWPGWDCTE-HNNXBMFYSA-N 443.547 0.839 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1358972001 PPZQREZSVBFOKZ-IIBYNOLFSA-N 428.514 0.961 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359037287 CZUDGUXFEBAZIW-MRXNPFEDSA-N 434.591 0.824 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1359299957 QJXNCQUPFLOHDG-CYBMUJFWSA-N 429.447 0.606 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359300314 YYMPPSZLAHWDNL-MRXNPFEDSA-N 428.497 0.150 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507638944 HZMDAKUZUVVHGA-CVEARBPZSA-N 437.591 0.780 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1508010528 XCAOUSRRUSJEPQ-HUUCEWRRSA-N 431.584 0.892 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1508071697 LJOSVSWOVQMVCD-UHFFFAOYSA-N 443.487 0.072 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1539094715 UCWNUKCOEKYVKA-OAHLLOKOSA-N 434.522 0.857 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539259552 FZVSHFGHHPBVNG-OAHLLOKOSA-N 428.493 0.596 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)CC1 1539427716 IECKDHHEXAHMNF-UHFFFAOYSA-N 429.550 0.796 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1557879261 DEJYWPMQLNTOBR-YUELXQCFSA-N 427.548 0.832 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511685 WNGVLSFTZDPFRN-KHYOSLBOSA-N 427.523 0.799 30 10 ICEE C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NS(=O)(=O)c1cccnc1Cl 1558643402 VGKYPBQHXVAGFG-MQIPJXDCSA-N 446.938 0.189 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588030520 WRTVEKCSQXIGEW-OAHLLOKOSA-N 428.580 0.853 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1588647539 WURMXGNZWQKAPU-CVEARBPZSA-N 443.595 0.593 30 10 ICEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589109828 KLVDYLYCTJLFBJ-CQSZACIVSA-N 445.574 0.850 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595831358 PNFXGRLOXXLFLL-SFHVURJKSA-N 446.595 0.488 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@@](C)(C#N)C2)o1 1617895985 UPYSJICWTQMMER-UGSOOPFHSA-N 425.463 0.750 30 10 ICEE CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1626655233 AIVZHFWQQFMDTI-IPCTWKPDSA-N 439.559 0.290 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 1634494772 DDENANJRUFBAKV-CQSZACIVSA-N 430.523 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 1681888594 SHSJHAOUVBDOEL-HXUWFJFHSA-N 435.594 0.938 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690671229 RFLBAVZGCVVFFT-GJZGRUSLSA-N 426.543 0.340 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722333521 WWFOHRXHPGCUKK-LSDHHAIUSA-N 429.568 0.064 30 10 ICEE CCc1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727574498 KHMUMJQJLLEUCW-ITZAQCPESA-N 427.509 0.862 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1730417791 CGOJSXVPPWQGMQ-JOCHJYFZSA-N 439.520 0.178 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1740622581 DUPTWGJLRWLHIT-IAGOWNOFSA-N 428.518 0.494 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740719983 OBMJDUQMZRQBIP-GOSISDBHSA-N 431.566 0.847 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 1740825295 LOPALOZCRJSCEX-OAHLLOKOSA-N 429.568 0.372 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740957216 GFVZUEPUKSFNGP-SFHVURJKSA-N 427.557 0.197 30 10 ICEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741004142 QGZVXEUZLLHCOQ-INIZCTEOSA-N 427.534 0.330 30 10 ICEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1741116185 KFCAUNDEAIKPKG-SFHVURJKSA-N 439.524 0.707 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748820456 BYQGNXBJERPSDS-KRWDZBQOSA-N 447.565 0.291 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748821044 LOQKECRFCBTKOM-GOSISDBHSA-N 435.594 0.968 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1 1748831209 HJWPQIKQJCZZNX-LJQANCHMSA-N 429.458 0.476 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749682921 CYARMRDBNGOFDC-FPXQBCRKSA-N 432.525 0.552 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1749882938 QODIQOYXHRAUOJ-OAHLLOKOSA-N 442.524 0.908 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1(=O)=O 1760464621 LMONLYJMUQUDDE-GJZGRUSLSA-N 447.583 0.201 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CC=CCC1 1761498499 GIVZCERUQTVUTE-SJLPKXTDSA-N 448.597 0.327 30 10 ICEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)N(C)C)CC3)cc21 1858636933 ZNQQTRQKTKKBLK-OAHLLOKOSA-N 436.534 0.593 30 10 ICEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN(CCO)CCO 1870746866 CSOQQXSXWQVGDO-UHFFFAOYSA-N 431.489 0.847 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625532 LGCRJKRAXUBUPA-GFCCVEGCSA-N 435.290 0.483 30 10 ICEE CC(=O)O[C@H]1[C@@H]([C@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@H]12 16321769 ASSGEEKBKJCWQS-IMSKVBIZSA-N 444.458 0.996 30 10 ICEE C[C@@H](C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)n1cnc(C#N)n1 462113663 UARXDXNGNWBRQS-ZDUSSCGKSA-N 433.494 0.436 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@]3(CCOC3)C2)CC1 469524987 HJMBTSKOJZPQPX-OAQYLSRUSA-N 427.461 0.946 30 10 ICEE Cc1nn(C)c(N2CCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2)c1C#N 472153073 JBNQPYOKKJUSMY-UHFFFAOYSA-N 434.497 0.904 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)c1 507543190 UCYVWEDMVVNNAH-UHFFFAOYSA-N 441.517 0.859 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 512710236 PGDGLWOKFYICEP-OTWHNJEPSA-N 430.549 0.799 30 10 ICEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)n1 544844491 NMDPJIQMRBWLDY-UHFFFAOYSA-N 447.542 0.905 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)CC1 558992188 CYGNOMNASWXJSS-QGZVFWFLSA-N 437.566 0.373 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 743729015 UWQKVAXFTYAFEC-CQSZACIVSA-N 448.570 0.510 30 10 ICEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 765233956 PVPPUSDYQAVIAN-UHFFFAOYSA-N 430.236 0.494 30 10 ICEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 809889704 JNGLCPJXRRJFJL-GJZGRUSLSA-N 433.513 0.986 30 10 ICEE Cc1ncc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 813655026 BHYSGPYBXZJGRA-UHFFFAOYSA-N 437.522 0.962 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286389326 IAXABXLXXQZKIL-NCOADZHNSA-N 437.566 0.917 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1286400053 VAELNSXVLABXHW-QGZVFWFLSA-N 442.545 0.700 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[C@H]2CCCCO2)CC1 1286470774 BYHLVSCSPMYTSY-ZWKOTPCHSA-N 438.598 0.993 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@H]2C)CC1 1286490872 VROZUZKZJUZLHE-SJLPKXTDSA-N 427.553 0.679 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1286553503 FFXRMQZCUORZCD-MDZRGWNJSA-N 432.525 0.505 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1286940551 BUFCATONKJTUGZ-DENIHFKCSA-N 440.504 0.964 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300501653 MREPRVKLHBYOMN-QGZVFWFLSA-N 449.577 0.722 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1301578807 JIXCFZVMRFRLIX-ZIAGYGMSSA-N 444.583 0.537 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1316336543 MUKSOOWLVZZACZ-BBWFWOEESA-N 447.517 0.617 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359049605 SMKWVKIYFYXJLS-XQQFMLRXSA-N 429.524 0.369 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1507653053 LGXRFBALWLYMHF-IBGZPJMESA-N 443.529 0.632 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508095850 XEXMBUKYKZNXCX-KRWDZBQOSA-N 429.569 0.666 30 10 ICEE C=CCn1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)nn1 1536910253 DAMZLNWVJCGHTN-OAHLLOKOSA-N 431.474 0.718 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 1564230792 QSULGKMWTMRZET-UYAOXDASSA-N 433.578 0.834 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 1570654334 LQLYDMZYQDRQDD-UHFFFAOYSA-N 431.449 0.579 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1588983904 DDAICELYQODATF-ZDUSSCGKSA-N 425.584 0.933 30 10 ICEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1618667631 FATUAWBXWWSHRJ-UHFFFAOYSA-N 445.549 0.718 30 10 ICEE COCCOC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1627864913 CBKWEZJAKRRIMC-UHFFFAOYSA-N 425.507 0.444 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1636713583 DSXXDDBYPXFQJK-UHFFFAOYSA-N 449.558 0.979 30 10 ICEE COC[C@]1(C(=O)OC(C)(C)C)CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 1655214239 GDWSNAOJEFRSHE-GCJKJVERSA-N 438.569 0.738 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1690077249 LKUIUGLCBCWPNX-IKGGRYGDSA-N 425.555 0.622 30 10 ICEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690506220 GVYZNOOMXOZBTI-UHFFFAOYSA-N 444.540 0.445 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1690699359 CXKQWZDCJZIZPD-HOTGVXAUSA-N 426.539 0.503 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690734102 VOOISLSHFBBAME-ZIAGYGMSSA-N 428.584 0.619 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1693830435 DYIUPBDFWBDGDZ-YOEHRIQHSA-N 439.476 0.942 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1705901623 QVWPMEXINLCCSK-HNNXBMFYSA-N 436.476 0.611 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711020647 WZQXVHGDNODQBL-NVXWUHKLSA-N 437.570 0.240 30 10 ICEE COCCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1=O 1712495163 UKGWTKNBWDAMBA-KXBFYZLASA-N 444.492 0.810 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722604254 WRFMDJDRNCIYRX-BZUAXINKSA-N 426.539 0.897 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(ccnc2O)C1 1722702170 GDAMBPRGZYPRKX-YJBOKZPZSA-N 428.493 0.968 30 10 ICEE CS(=O)(=O)CCOCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1731009097 XRJBCMVLHSWXAB-MRXNPFEDSA-N 437.497 0.798 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(F)(F)C3)n2Cc2ccc(C#N)o2)C1 1731015671 UANCZZOLMPXXTL-AWEZNQCLSA-N 442.448 0.969 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740657794 YNFOLYQNMDCKQH-OPYAIIAOSA-N 432.546 0.981 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1740658694 PIHNJMHRIFGPJY-UHFFFAOYSA-N 425.581 0.889 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1741104485 KSIDESYAZUFZRV-XUVXKRRUSA-N 440.504 0.698 30 10 ICEE C#CCN(c1nnc(COCC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748824578 QWWPTKKCURRECF-HNNXBMFYSA-N 426.930 0.991 30 10 ICEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749229113 HBTZBIVIOSNZPE-SFHVURJKSA-N 448.568 0.938 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NC)CC1 1749663771 QCJNDWFJABSGPH-UHFFFAOYSA-N 449.519 0.894 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749682866 BLTUTASZZWIHQG-IEZWGBDMSA-N 429.525 0.481 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760184721 YCYHCIMCMQZJFF-OLZOCXBDSA-N 435.959 0.268 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1771188090 TVXBTTNDQYKPHV-BEFAXECRSA-N 441.554 0.682 30 10 ICEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1849312566 HHXMTSPRUBLQAU-ZDUSSCGKSA-N 427.280 0.598 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631052 SSBSVJIXLONIPX-HXUWFJFHSA-N 436.318 0.811 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871335 OHKGFCYIYRKDRU-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE CN(CC(=O)NC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 26885603 MPKJXMYZUWWBQG-UHFFFAOYSA-N 435.550 0.238 30 10 ICEE N#Cc1c(-c2cccs2)nc2n(c1=N)N=C(N)/C2=N\Nc1ccc(S(N)(=O)=O)cc1 138031469 QFXWWDMOFYCDSQ-IMYFEBDSSA-N 439.486 0.560 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508940463 YIJIRNGAYRSASI-WFASDCNBSA-N 439.460 0.691 30 10 ICEE Cc1cc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 544881920 NWNJBJGPQLWHEB-QGZVFWFLSA-N 443.533 0.579 30 10 ICEE N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732677326 YGYKICVDTHGSNT-SFHVURJKSA-N 433.534 0.589 30 10 ICEE C#CCC(CC#C)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 803697980 ZICIVJKVPAGEPD-UHFFFAOYSA-N 432.498 0.530 30 10 ICEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)s1 1152565462 MEIYBSMZDHDMSM-INIZCTEOSA-N 432.527 0.818 30 10 ICEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1183849307 HCKFQQWMBLJRTQ-FZMZJTMJSA-N 432.424 0.895 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1286467264 SEVNATNOYWYQSN-UHFFFAOYSA-N 425.537 0.514 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286785454 FXFBWIBRVAJXSI-ZDUSSCGKSA-N 445.553 0.272 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286818403 IBNCMMZFAPGOML-IBGZPJMESA-N 434.522 0.915 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297758076 RGKDKNRKSIFINB-INIZCTEOSA-N 432.554 0.779 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1301280689 UGCHOFMKZCKXAB-MRXNPFEDSA-N 433.511 0.901 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301490909 HZYSJBMOAMNXPP-GOSISDBHSA-N 438.536 0.385 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301515181 QJIJCDOWAVBHTL-MRXNPFEDSA-N 425.493 0.682 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1301952079 GKYRWLTXRGPDPU-QWHCGFSZSA-N 439.567 0.976 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1359010685 WMTXWSHAJUVUJW-SFHVURJKSA-N 438.598 0.947 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(COC)c2)CC1 1359029304 UCWACYGACAFQKG-QGZVFWFLSA-N 446.577 0.838 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)s1 1444019794 WTFZWQCXIZHMDP-MRXNPFEDSA-N 426.608 0.993 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1466344323 HXWUHWUSHWHDGK-IRXDYDNUSA-N 443.566 0.946 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507622035 ANECKFNTAXUAIM-SQNIBIBYSA-N 449.577 0.692 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1507630838 IORBLIPIGIPLQP-KRWDZBQOSA-N 440.529 0.955 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539204034 XZVLFXFQBPSDIL-QGZVFWFLSA-N 436.582 0.529 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1539481231 IYSHIEGCTRFZMR-GCJKJVERSA-N 430.553 0.205 30 10 ICEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540043232 YVIOYOOZJIIIGO-QGZVFWFLSA-N 434.541 0.896 30 10 ICEE COC(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1540647823 KLLLJZSVPMTVRQ-UHFFFAOYSA-N 428.470 0.815 30 10 ICEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1541698158 AOZSJVUDZKZHNJ-UHFFFAOYSA-N 447.503 0.928 30 10 ICEE NC(=O)C[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1556005291 VHAQYNDOSNNPHR-DNTCVELPSA-N 427.509 0.849 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)CC1 1558074543 CNPJWIUUFJNNGA-UHFFFAOYSA-N 428.555 0.635 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588029212 FDFWROQXTKQDPQ-GJZGRUSLSA-N 431.584 0.561 30 10 ICEE C#CCN(CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C 1597323609 CTRMYXITSLDFES-INIZCTEOSA-N 429.539 0.510 30 10 ICEE C=C(CO)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1629339387 VKRHBNYBONDDTO-UHFFFAOYSA-N 431.898 0.306 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN([C@H]4CCOC4=O)CC3)C2=O)cc1 1631262515 VXHGSHMUNWITNS-MSOLQXFVSA-N 439.472 0.659 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)C2)C1 1635652412 MEFQYOIIAPGWOK-APXRDBCWSA-N 427.523 0.439 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCN(C)CC1 1640817663 CNKZDZCULWUHTD-INIZCTEOSA-N 435.550 0.030 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(OCCCC)cc2)CC1 1644281902 PPVBHLQJBHYDIZ-UHFFFAOYSA-N 436.534 0.207 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1644285085 HGTHMWQUQGZUTM-IRLDBZIGSA-N 446.573 0.137 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2OCCOC)CC1 1658786906 FMUXYCLIDCJAML-UHFFFAOYSA-N 430.914 0.982 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)cc1 1667956204 LHTROPFYXPJVHY-UHFFFAOYSA-N 431.478 0.888 30 10 ICEE C#CCN(CC#CC)c1nnc(COCC)n1CCS(=O)(=O)N1CCSCC1 1705602304 PRBFVGYJGHKSKZ-UHFFFAOYSA-N 425.580 0.656 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)CC1 1705639169 HXQQMFWVVSCSHA-QGZVFWFLSA-N 430.534 0.387 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCCCCO)C1 1712706103 HQRFAADCRLYLJZ-KRWDZBQOSA-N 440.570 0.904 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCCc1ccccc1 1722280734 WPIPLEIIRIGNSN-CVEARBPZSA-N 432.550 0.705 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1722324471 SGXILANUDQAZHJ-KRWDZBQOSA-N 438.598 0.850 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(O)CC1 1722376889 HBZOWXXRYHAPAM-UHFFFAOYSA-N 445.531 0.840 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722698165 WFIDRIHKBDHEQZ-UHFFFAOYSA-N 438.492 0.471 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N(C)C 1729069652 HMTIHQZBNACLPD-OAHLLOKOSA-N 427.513 0.670 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740995386 JSYYWBCXQCIGAC-QFBILLFUSA-N 439.538 0.648 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)N(C)C 1760170577 IJKXAPIIMPYDQK-UHFFFAOYSA-N 439.567 0.199 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)CC1 1760254077 NDWVKAIDIKHLOM-HOTGVXAUSA-N 426.612 0.929 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1760259037 FZAUTOBBMJIGGW-PMACEKPBSA-N 443.596 0.480 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC1 58256043 STLIUDCMRADHOE-UHFFFAOYSA-N 436.578 0.965 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCS(=O)CC1 482174525 XGORLADIIZLYFQ-CQSZACIVSA-N 426.564 0.184 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 500273716 YQCHPOQZBBGJEP-UHFFFAOYSA-N 445.505 0.935 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 604160569 KJIFAPRNZSOKNF-SFHVURJKSA-N 434.610 0.666 30 10 ICEE CCOC(=O)c1cnc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)s1 745813511 NVFBOHUVVANKIW-NXVVXOECSA-N 448.505 0.678 30 10 ICEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)CC1 782696558 DHIPSBCOCGZGQZ-UHFFFAOYSA-N 433.335 0.699 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 795082038 WVZCSVYCDSVJFE-WIYYLYMNSA-N 442.564 0.392 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1286471595 NTIBEXIKDHNKOV-UHFFFAOYSA-N 427.553 0.576 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](COC)OC)CC1 1286645462 CWGJLTGFTXNIGV-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1286813744 AUKCXCCVXDWLGS-UHFFFAOYSA-N 446.533 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286819593 PFHXBAMZZFLMSW-CVEARBPZSA-N 446.533 0.883 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1287127423 VOTGMRXJHCTTQK-CQSZACIVSA-N 425.559 0.791 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 1298433243 ICAHBCIARQAFFO-JEYLPNPQSA-N 427.548 0.945 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301589699 WKCGBXWAHHPMSD-GDBMZVCRSA-N 438.554 0.423 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305116790 PWVRDANDLKGWOJ-MYDZZUQKSA-N 443.508 0.365 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1=O 1314919586 HEYGYTHLDUSPLY-OXQOHEQNSA-N 428.518 0.918 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358961850 GFORBKTVXZNMOK-HZPDHXFCSA-N 448.574 0.864 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1359104580 CWHGLOVNEWBAMB-WMZOPIPTSA-N 443.556 0.892 30 10 ICEE COc1cc(OC)cc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c1 1439613206 JHENQIVONDOGTG-CKNLXJGOSA-N 433.486 0.453 30 10 ICEE N#C[C@]12CN(C(=O)NCCn3cc(Br)ccc3=O)C[C@H]1CS(=O)(=O)C2 1470350565 OUKATDMOJHEDOF-XHDPSFHLSA-N 429.296 0.191 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1507712571 ITASSMLLIYEUKG-KRWDZBQOSA-N 446.533 0.272 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1508078476 BJIMTHBWGSKEGD-UHFFFAOYSA-N 442.476 0.271 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nnc3c(=O)n(C)ccn23)ccc1F 1537833897 FWPYLJZBRGCOGY-UHFFFAOYSA-N 434.453 0.004 30 10 ICEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1539210988 IJSLMJWGUYLMPS-PGRDOPGGSA-N 443.573 0.947 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1555817483 CIJFWTSBLYTRAT-JKSUJKDBSA-N 429.506 0.081 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055708 YKDWIKPWSCHKEH-HZPDHXFCSA-N 435.550 0.815 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064312 FYAPLTLDXOLEED-SFHVURJKSA-N 435.594 0.968 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1595476173 IQBJCJWNQGKNBT-ZNMIVQPWSA-N 426.543 0.338 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1595602234 HKDXREOHBXHKBP-JOCHJYFZSA-N 446.552 0.681 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1609512093 RVSOZJGEEQWNFG-FBMGVBCBSA-N 443.508 0.702 30 10 ICEE C#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(=O)OC 1626188350 WRBGEFLNHIMJIR-KGLIPLIRSA-N 428.532 0.968 30 10 ICEE CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 1635099067 HFXFVPFBRSREAP-WDWGUKLMSA-N 428.493 0.616 30 10 ICEE N#Cc1cn(CCNC(=O)c2cc(I)ccc2O)c(=O)nc1O 1641967898 JXDVOWGFQCMPBF-UHFFFAOYSA-N 426.170 0.561 30 10 ICEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCS(=O)(=O)c1cccc(C#N)c1 1659462075 IWSMXYVBMYAZJZ-HXUWFJFHSA-N 439.534 0.920 30 10 ICEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)NCC#CCO)CC[C@@H]32)CC1 1687394809 ZOKQNLFEYKIHTL-IRXDYDNUSA-N 435.525 0.559 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@H]3CCc4ncc(Br)n4C3)C[C@H]1CS(=O)(=O)C2 1687854348 CLPLZTRMNNZTSO-PGUXBMHVSA-N 428.312 0.540 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1690032597 FFYLDJRYZSMTFF-MRXNPFEDSA-N 442.545 0.759 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1690046550 DGCLIXXYPSARFH-SFHVURJKSA-N 445.549 0.279 30 10 ICEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690229330 SYQFBXBMZMNDEZ-STQMWFEESA-N 439.314 0.228 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690670593 FMONCUKJACLKQQ-DLBZAZTESA-N 426.525 0.979 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCN(C)C 1692520854 GAQKWMAPDURCKE-UHFFFAOYSA-N 442.524 0.529 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)CC1 1705633116 JEUSLNPAWMVTFV-SJORKVTESA-N 446.581 0.103 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705899802 HIZMYFQTEFJUBU-HNNXBMFYSA-N 448.549 0.726 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)C1 1705926098 YLLYHJHOBQGUGM-JKSUJKDBSA-N 441.554 0.429 30 10 ICEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1711566180 CSGXMMSANJWMKL-RVKKMQEKSA-N 442.517 0.478 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1722369710 DYNQBVHSMJWNFN-IAGOWNOFSA-N 435.550 0.815 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722372251 SGIUTRDPENPMGL-ZWKOTPCHSA-N 448.593 0.369 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1722390987 VUWGRBPHHVDZOM-SJLPKXTDSA-N 434.566 0.610 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1722395694 AJRHLGLYFLYLTI-INIZCTEOSA-N 432.506 0.353 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1722479418 ICYGOPDZAURPDW-GHMZBOCLSA-N 435.348 0.499 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722560317 VZRPGRQUOKPIST-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1728663806 YUPJFJMPMGIPEH-UHFFFAOYSA-N 440.508 0.285 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1O 1729782512 GRVYTAOIIORTJC-YVHKJVDXSA-N 438.488 0.655 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nncn2CC)c1 1740562477 KGFLPVZUAGWXEH-KRWDZBQOSA-N 447.503 0.945 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCOC2)n1 1740689193 QZGVHCRNYCPAHO-DYESRHJHSA-N 430.509 0.416 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccncc1Cl 1741945658 VSBQPHCLKBLKAV-WCQYABFASA-N 425.902 0.714 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749444729 DLPDWJFJGFWTDZ-KGLIPLIRSA-N 428.515 0.122 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749664181 YCUIFFHCIMLCFG-HNNXBMFYSA-N 446.537 0.042 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1763272801 BPWQJKRETHDWKZ-PXARDIRTSA-N 426.477 0.580 30 10 ICEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC 1765553805 FWCUTKMILBCNRA-ZWKOTPCHSA-N 437.504 0.779 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cc(F)c(F)cc3F)C(=O)C2)C1 1856835635 VJJQDCLKVBCGQJ-LLVKDONJSA-N 430.408 0.316 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550026 UBPGIUIXRQEACT-UHFFFAOYSA-N 448.329 0.924 30 10 ICEE C=CC[C@](C)(CO)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524911 OYXYNXDPIUUQEV-LPHOPBHVSA-N 428.507 0.949 30 10 ICEE C=CC[C@@H]1COC[C@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344312124 JDYXTERSBJQQFM-BRWVUGGUSA-N 426.491 0.965 30 10 ICEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 111046133 LSRQWDWHHXSBGP-HNNXBMFYSA-N 443.547 0.006 30 10 ICEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 111048205 LAEQTZSKEAHOQF-KRWDZBQOSA-N 439.559 0.532 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)c2ccsc2)CC1 473158726 HECDITGFEULERJ-QGZVFWFLSA-N 434.543 0.776 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 508917359 JGKLFFYBPIQKGM-MRXNPFEDSA-N 448.553 0.222 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 515675286 VJRHFWFVPZDNKF-UHFFFAOYSA-N 427.548 0.791 30 10 ICEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)n1 546884955 JYPHMZMCRDPNND-UHFFFAOYSA-N 435.893 0.982 30 10 ICEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cccc(C#N)n2)CC1 546917056 PXFWKNNCRPAARL-MRXNPFEDSA-N 442.545 0.470 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558451511 AJTKKSAUOLMEEV-CYBMUJFWSA-N 432.572 0.079 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 561341362 JBYPBECVENFQNB-UKRRQHHQSA-N 428.536 0.155 30 10 ICEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O 603800609 XCSLSUYKSILQAM-HNNXBMFYSA-N 445.566 0.821 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cn1 734602317 FYDUHEJZCUAJQT-IBGZPJMESA-N 436.424 0.621 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 918754774 FXAQMRVTFPERJM-OAHLLOKOSA-N 428.532 0.644 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1152967223 AWRWQSVBORPFBC-ROUUACIJSA-N 434.562 0.521 30 10 ICEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179651167 JVACMJUOTVTQMC-APHBMKBZSA-N 433.408 0.015 30 10 ICEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1181194200 VYJCPCWYQFJHAP-MRXNPFEDSA-N 429.454 0.557 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1213385539 VGUKYQFCULHWNS-UGSOOPFHSA-N 425.463 0.536 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1286392637 MJCWBBHVMXYTLO-MRXNPFEDSA-N 431.518 0.977 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)C)CC1 1286485577 QKRYDJZKVGVYLH-UHFFFAOYSA-N 443.552 0.252 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286818095 BOCVBQGWEWLOGX-ZIAGYGMSSA-N 442.567 0.594 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1286959284 FGWUFZVEDYXPBK-HZSPNIEDSA-N 432.572 0.309 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297730988 BSNHYPDITXNGIF-UHFFFAOYSA-N 432.554 0.851 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1301390636 LXNWTTPJJKPNKF-OAHLLOKOSA-N 429.568 0.394 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301502276 FLJNIDJPVWRHAZ-KSZLIROESA-N 429.477 0.943 30 10 ICEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1301510211 UROSIWCRBNCPNN-GOSISDBHSA-N 437.504 0.535 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301595391 TUJYZATYGIPTRE-ZNMIVQPWSA-N 442.611 0.770 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358954991 BXKGFEIKNCCHOK-OAHLLOKOSA-N 448.574 0.954 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1358969174 IKSKGQMODJVPHG-AWEZNQCLSA-N 429.568 0.174 30 10 ICEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCN(S(C)(=O)=O)CC1 1435531171 YHZNIUOWFZVSHH-QGZVFWFLSA-N 447.517 0.646 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1503672022 FBSCYILRDRMTKU-MGPUTAFESA-N 444.517 0.556 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507632378 KMAJUZOSHQBHRJ-ZWKOTPCHSA-N 445.545 0.464 30 10 ICEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507936515 FJASIBDIXPPQOZ-UHFFFAOYSA-N 445.568 0.461 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1508130019 FYQGGFCKAXETPR-ZIAGYGMSSA-N 435.572 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508132262 WGOAYBVGHQSABA-CVEARBPZSA-N 425.555 0.880 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508136338 DYYSPUHQFZEZEH-OAHLLOKOSA-N 447.521 0.347 30 10 ICEE C#CCN(c1nnc(C)n1C[C@]1(N2CCOCC2)CCSC1)[C@H]1CCS(=O)(=O)C1 1539205408 IGOITXGIAKKNBC-PKOBYXMFSA-N 439.607 0.421 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540869033 AAMAPRDODBKVNR-OAHLLOKOSA-N 444.565 0.931 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1540871660 QJCXJYHGWGZYDV-CVEARBPZSA-N 425.555 0.734 30 10 ICEE C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NS(=O)(=O)c1cccnc1Cl 1558643401 VGKYPBQHXVAGFG-BFQNTYOBSA-N 446.938 0.189 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595798490 PSALEIDOQXVHHZ-LSDHHAIUSA-N 425.511 0.761 30 10 ICEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1611571564 RTHMZAMOXLATPG-BBWFWOEESA-N 428.445 0.990 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 1643881115 DXXQOUFMDUDJGE-RZDIXWSQSA-N 433.511 0.958 30 10 ICEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1684851088 CEXNIRINWNIXCZ-MAUKXSAKSA-N 426.477 0.409 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCS(=O)(=O)CC2)CC1 1690112415 XJOWPWWFFYLBHV-QGZVFWFLSA-N 439.582 0.582 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690301875 ZZIOMXOYIOJVIG-SOUVJXGZSA-N 426.543 0.196 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1705477018 IFTRECUCNGTQPZ-JKSUJKDBSA-N 426.587 0.582 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1711085243 ABFVRAOHBKEBHE-QGZVFWFLSA-N 443.533 0.773 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722442120 YGCBHPMXVHCFQL-BZSNNMDCSA-N 437.566 0.192 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727027370 LDKNVSDGEOBGPD-FCWMDHMBSA-N 431.497 0.269 30 10 ICEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1731186803 GVYLXEANTFNMQM-NQIIRXRSSA-N 445.545 0.732 30 10 ICEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740592610 BAEQDBXMRQDIEF-UHFFFAOYSA-N 435.532 0.948 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1760190352 PHKIDHIWLHYBFS-INIZCTEOSA-N 431.518 0.767 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)CC1 1760259966 SXGNUCAFEVWPQG-JXFKEZNVSA-N 449.602 0.905 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1761580653 CSYFGHVCQZPBLW-HUUCEWRRSA-N 427.465 0.680 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1763268578 FZIZOJAWGDJPNH-KSFYIVLOSA-N 440.504 0.652 30 10 ICEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1767850338 DDPVAHKOQHWXBN-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE CCn1c(=O)c2cc(S(=O)(=O)NCC#CCN3CCCCC3)ccc2n(CC)c1=O 1848666659 KEFULWKTJYDXHR-UHFFFAOYSA-N 432.546 0.971 30 10 ICEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N(CCOC)CCOC)ncnc21 1873593438 BJCKVVWZMNUOEQ-UHFFFAOYSA-N 446.552 0.779 30 10 ICEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873595164 RGMBJVWPJCBHKR-UHFFFAOYSA-N 431.493 0.699 30 10 ICEE N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCC[C@H](O)CO)cc12 2069792592 QZMBTVFJLUDTOD-KBPBESRZSA-N 448.426 0.846 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677239 TVEZSWPOEFJFQP-SNVBAGLBSA-N 428.320 0.737 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)C2)n1 2247951782 KRKZBQSDKPBCTG-UHFFFAOYSA-N 442.347 0.617 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267548336 FSRDHQWNYBGEEL-LSDHHAIUSA-N 448.329 0.876 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268765147 GLPHIGOLBWVNCQ-MAZHCROVSA-N 449.313 0.660 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CCO1 409585181 MSIYVPIFNOVVJU-MRXNPFEDSA-N 428.898 0.332 30 10 ICEE COC(=O)C1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 462086884 HASHEXKUMQGUOE-UHFFFAOYSA-N 441.531 0.538 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)o1 480935510 MXWRHMAWOQAGTG-OAHLLOKOSA-N 429.498 0.610 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CC1 538497508 YHHLYDAASGECNB-UHFFFAOYSA-N 428.514 0.613 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 561341360 JBYPBECVENFQNB-HIFRSBDPSA-N 428.536 0.155 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418315 PZTASSNVKDQDRR-UHFFFAOYSA-N 436.493 0.866 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)ccc1SC 746484014 QRIGAIIYNQSDGO-UHFFFAOYSA-N 442.566 0.999 30 10 ICEE N#Cc1cn(CC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(=O)nc1O 1166760376 NAJDQICGKOOEMD-IUCAKERBSA-N 441.288 0.421 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1286296812 RQOFHIGMHBNAOI-RCCFBDPRSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1286388080 XUBOYMOZUUZZOC-KRWDZBQOSA-N 443.533 0.791 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286397482 ZWSPDEPTZPSRLN-HNNXBMFYSA-N 430.596 0.928 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286469344 DOHZVWBFOAYSTD-INIZCTEOSA-N 443.533 0.115 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)[C@@H](C)CC)CC1 1286490435 KWGIYSWOFQJLJD-WMZOPIPTSA-N 429.569 0.925 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1286514879 REPWIHWZLJXCNT-VUANCPLDSA-N 425.493 0.935 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1288524878 IWVYBISHGWFRBU-STQMWFEESA-N 436.485 0.979 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1297679629 FXNIJOMZBUWKMO-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@H]1O 1299412507 OVCZUJPLBIUDMD-HMFYCAOWSA-N 440.504 0.244 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2ccnc2C)CC1 1300722518 KLBNATXMSIFDRJ-SFHVURJKSA-N 438.536 0.790 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1301503152 UPZSUNBBBZFFSA-UHFFFAOYSA-N 448.474 0.920 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1301519636 RADMRQZGNPESQN-FQEVSTJZSA-N 436.513 0.511 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C1 1301535087 HRNRFTUDFOPBLL-HNNXBMFYSA-N 426.543 0.235 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358960680 JLQMDXPCIQVWMT-DLBZAZTESA-N 429.550 0.846 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1c1cnn(C)c1 1446328815 GZQAFLOSWDGLII-YEBLFPRISA-N 438.488 0.683 30 10 ICEE C#CCN(CC(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1453532568 HBPDJXFSKNJLTA-OAQYLSRUSA-N 441.525 0.971 30 10 ICEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)NCC#N 1470194495 VBGLXTOMPJLMNL-UHFFFAOYSA-N 426.520 0.047 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507621754 CAOIVILAKKYQGK-HNNXBMFYSA-N 432.506 0.589 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507842930 FPYGTYMZJYNUJD-MSOLQXFVSA-N 445.568 0.565 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508115734 PJRNOUJATKOJCB-SOUVJXGZSA-N 447.583 0.104 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539370567 XJDICYWVCONKQJ-LSDHHAIUSA-N 449.499 0.903 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1541925539 DZHPJKCSVOVDTP-CWRNSKLLSA-N 426.543 0.558 30 10 ICEE C[C@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1545119089 SJFQYSHBOFHURS-BBRMVZONSA-N 436.494 0.349 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1547259571 KOSQGAMMTRWRCV-JOCHJYFZSA-N 437.504 0.971 30 10 ICEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1555715292 BEOCNWWRVFBPFA-UHFFFAOYSA-N 448.549 0.951 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1557383728 DNSUXEYXCFSEEM-IBGZPJMESA-N 446.529 0.942 30 10 ICEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 1584545037 GCUYAHDEHOYARI-OAHLLOKOSA-N 428.518 0.671 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1588074540 OHZVHRFZIUMHCQ-MRXNPFEDSA-N 447.565 0.808 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588848988 UFEKTNZGFLABPG-LJQANCHMSA-N 443.577 0.301 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccco2)CC1 1588923531 CMUIKXSLJAPQRN-ZHRRBRCNSA-N 440.504 0.696 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 1643372220 BGLCZJBHPOKNJJ-UYAOXDASSA-N 448.545 0.217 30 10 ICEE N#Cc1cccc(Br)c1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1651589888 FOOHXQYTISCLPV-CYBMUJFWSA-N 448.364 0.960 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1[N+](=O)[O-] 1685772816 NNDKGOHKSFIMRF-UHFFFAOYSA-N 439.494 0.184 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(COC)no2)CC1 1689936808 FDHBZZNBQLZVOM-UHFFFAOYSA-N 442.524 0.666 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1689980348 QCULMWCLNCUZRH-SJLPKXTDSA-N 433.509 0.697 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690343858 GADHTLVJMPAECB-OAHLLOKOSA-N 438.916 0.042 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690673722 BPDCFVQYVCSUKQ-HXUWFJFHSA-N 438.580 0.782 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705565112 GLEDGFSWZCFMMN-GQIGUUNPSA-N 435.550 0.277 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCS(C)(=O)=O)CC1 1705647127 AWLHWLXTWCYYNV-UHFFFAOYSA-N 431.522 0.136 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1722344932 MQTOWGRQVBVLMB-HNNXBMFYSA-N 433.538 0.238 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722358028 CNKZINWRFPIWSY-MGPUTAFESA-N 449.533 0.544 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1722403026 UDGHJBDTUJTVPU-HNNXBMFYSA-N 428.522 0.977 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722740070 JYOMCDIUQHYTCZ-KBPBESRZSA-N 433.538 0.621 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)nc1 1748784241 GPUCUJHMHQRDMS-UHFFFAOYSA-N 438.517 0.850 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809904 QKWHBXXDCKFYOX-OAHLLOKOSA-N 431.518 0.669 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749670249 PBVRNPHJGDWAMS-MRXNPFEDSA-N 431.541 0.858 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760260511 VRPIJQPAEYTSNO-MOPGFXCFSA-N 429.569 0.341 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760555068 VSEAHEPRUIMEAI-UHFFFAOYSA-N 433.600 0.692 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1760697166 XGLRVRJVRVXLBB-OAGGEKHMSA-N 442.542 0.012 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)C(=O)NCC2 1761463268 HUGGREJEQUZKLU-KGLIPLIRSA-N 445.549 0.961 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1770051900 PZNBLYJAWHXWCC-HOCLYGCPSA-N 427.527 0.556 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CC(C)C)C3(CCCC3)C2=O)CC1=O 1856447098 OUJPIGDPSJREAN-INIZCTEOSA-N 425.551 0.990 30 10 ICEE Cn1ncc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255829648 SKEZYEIHQOXQPN-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267877510 VDXLLIXMRODEIC-SFHVURJKSA-N 437.353 0.980 30 10 ICEE C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OC)=C(N)N(CC(=O)OC)c1ccccc12 20569097 YXRJZGWFLVTFKN-QFIPXVFZSA-N 442.424 0.821 30 10 ICEE CC1(C)O[C@H](C=O)[C@H]([C@H](O)[C@H](O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)O1 255968599 DCBBUGKPMCTVKE-ONAJWDHHSA-N 432.466 0.214 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1CCN1CCOCC1 471195727 LDUGQKZKXSWCPQ-UHFFFAOYSA-N 444.557 0.427 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cs1 590915187 VKNUWXUZTSAQBR-OAHLLOKOSA-N 446.554 0.216 30 10 ICEE CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 615074426 FBHPGFAWOHFUKQ-UHFFFAOYSA-N 436.538 0.777 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn3ccccc23)c1=O 729671883 QSWBVMFRVLGKSR-UHFFFAOYSA-N 425.514 0.623 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CCN1C1CC1 732706728 MYTGKNQBTCMCGA-MRXNPFEDSA-N 445.907 0.950 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccnc1N1CCC(CO)CC1 738541295 RQDWNLOSMLUPAE-UHFFFAOYSA-N 429.502 0.968 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 751974485 OURHNEADJFDJNC-PBHICJAKSA-N 427.500 0.364 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)C1 760981432 FHJPDXFXDOITLM-HUUCEWRRSA-N 426.495 0.996 30 10 ICEE N#Cc1cc(C(F)(F)F)cc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 1185603387 SZQNNHUATIFFCL-CYBMUJFWSA-N 438.453 0.611 30 10 ICEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 1190263983 FLJARSRLHZNOBP-UHFFFAOYSA-N 428.268 0.959 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OCC)c(C)cc2F)CC1 1217754932 RUXVYSOHTUMJJH-UHFFFAOYSA-N 426.470 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1286485524 OWGOQLPDKQUQNX-SFHVURJKSA-N 429.569 0.722 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1286779438 IYLKXXPBLZLFFW-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1298696809 WTMHIOOZFAUDJJ-HXUWFJFHSA-N 449.533 0.751 30 10 ICEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1300299404 MATAJFNOTWWBOA-CABCVRRESA-N 437.518 0.668 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1301514693 LRDVNSZXPQLDHI-KRWDZBQOSA-N 428.493 0.883 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301588110 WBCMQAWYKWCQEY-MRXNPFEDSA-N 432.550 0.827 30 10 ICEE C=C[C@@H]1OCC[C@H]1NCC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307775494 PTELBXNZSSNCON-SJORKVTESA-N 443.504 0.492 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1358962567 SBJDGQDOYCYDJU-HOTGVXAUSA-N 448.549 0.551 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963836 OUXLINPWDBIHHY-DLBZAZTESA-N 438.550 0.340 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(C)c2)CC1 1359048644 XPAUCGYAGFEXIW-OALUTQOASA-N 441.536 0.750 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359334050 RMWWMAXUBQNMHO-GOSISDBHSA-N 432.550 0.970 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)CC2=O)cc1 1469258567 BVTRQPIURWIRPZ-KRWDZBQOSA-N 425.489 0.944 30 10 ICEE C#CCN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1471938067 AHBNUMKIMOIGOL-WMZOPIPTSA-N 425.938 0.678 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503714032 DCVKMJHTKDRERA-GAYUIZRLSA-N 445.524 0.517 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507560345 GTDTUFNWSDYZMP-FUHWJXTLSA-N 427.553 0.822 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1507622176 GSYVSIUBOPEFSG-GJZGRUSLSA-N 443.595 0.705 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(=O)(=O)CC)CC1 1507724453 QDODHJWNLBBVSJ-UHFFFAOYSA-N 434.541 0.703 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507731160 CBGOGHQSLIHEAT-MSOLQXFVSA-N 436.582 0.209 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 1507953913 JMKVMYFENUUJCD-DLBZAZTESA-N 440.570 0.098 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1512366781 DPTHJTKVLLXPRQ-VVQLZHPYSA-N 443.508 0.654 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1519317498 FAXFCGUPKREKGB-BLIXFSHQSA-N 434.541 0.984 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1539180082 WJKYPCAPHPDQBJ-DNVCBOLYSA-N 425.555 0.622 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1539222537 WDVAMZDSBARTDG-HNNXBMFYSA-N 429.568 0.112 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539613577 ZGMVNXKTRKSQQA-LHHMISFZSA-N 435.525 0.758 30 10 ICEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1552894458 YBDVHKWRSBCURM-OHTQGHCMSA-N 445.549 0.982 30 10 ICEE C#CC[C@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1587392940 XIYMMFKWCPFRCU-CQSZACIVSA-N 433.486 0.729 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1588090152 SAPRWCYLBVCBMB-HXUWFJFHSA-N 435.550 0.427 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2cnnn2C)C1 1588318126 VSBQJGCOTVNVQO-AWEZNQCLSA-N 432.506 0.142 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCSCC2)CC1 1588923773 LULGJGLMPFLMCR-QGZVFWFLSA-N 445.593 0.244 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589569723 QQCXYJDEAKDABA-BZLDKRAPSA-N 447.536 0.742 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1595550331 COOATWWXDMHOQT-PBHICJAKSA-N 426.477 0.808 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595799102 XLVCBOMEQGXUOU-HZPDHXFCSA-N 437.566 0.878 30 10 ICEE C=CCN(C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1625390348 VUHYXQJDWORPJP-HZPDHXFCSA-N 443.566 0.951 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)C1CCN(C)CC1 1635683233 GZHPIYNBMVAJMR-UHFFFAOYSA-N 426.564 0.219 30 10 ICEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1649557322 FXFOTWIOPIUUNS-LXXYJFLHSA-N 429.481 0.323 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)C2)c(=O)nc1O 1685928309 HKKLHDMAGMAGQC-NSHDSACASA-N 430.371 0.471 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1693421057 LTRSETKHHQUSLT-INIZCTEOSA-N 425.497 0.868 30 10 ICEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1696873166 AXBRBJJJBFADNW-UHFFFAOYSA-N 441.521 0.465 30 10 ICEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1698028513 GLEHKCCOUDGJPI-IBGZPJMESA-N 438.536 0.951 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705565481 UZBREYUVMBSUBH-SFHVURJKSA-N 440.529 0.922 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCSC2)CC1 1705647673 KTPPIGTVCFAFEF-MGPUTAFESA-N 432.550 0.063 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1705829850 DGHADESZSOUVOK-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705930617 RGOAVQXJVFQSLW-GJZGRUSLSA-N 433.600 0.863 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1712710445 GMLKUOUJMLKNHK-MRXNPFEDSA-N 445.505 0.397 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722359435 MPMRYVKQVGOWAI-HKUYNNGSSA-N 446.529 0.996 30 10 ICEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722618915 XBTBCWYNRLLBAD-GOSISDBHSA-N 446.552 0.646 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722727868 LYFMLJMTUXRJLC-KZNAEPCWSA-N 439.582 0.540 30 10 ICEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1729594740 BBLAVJSLLGZPTE-NRFANRHFSA-N 444.561 0.897 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740620157 BVEVKUPAAQPWCD-ROUUACIJSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740628383 XHMGCNQZOKJGLV-FUHIMQAGSA-N 438.550 0.604 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740959746 DNAWIDNOYZJILJ-WMLDXEAASA-N 449.533 0.962 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740963384 JISDYJHUIOPPBT-OAHLLOKOSA-N 428.497 0.778 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1741731970 LRTADVPFTBAQBQ-UWJYYQICSA-N 431.541 0.583 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749520008 WROHHNZKQLMYPM-CABCVRRESA-N 443.595 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749721758 SSVXWMXZQRAQCX-KGLIPLIRSA-N 439.494 0.229 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749729162 CLTFFPQVAVHHGK-CQSZACIVSA-N 427.552 0.810 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749735828 AVSXCBGXUMZYDW-KRWDZBQOSA-N 432.550 0.827 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cc(CO)nn2)CCO1 1750387960 GGLPAZHFSKKCFG-SFHVURJKSA-N 426.456 0.911 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1760187417 DCAUQPASHZJXKZ-QZTJIDSGSA-N 446.577 0.747 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760524084 OWSCTJIKWJDHFM-QKKBWIMNSA-N 445.524 0.289 30 10 ICEE CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCOC1 1768561996 NGXSANDXGDFFLH-CZUORRHYSA-N 436.494 0.349 30 10 ICEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771025676 DNGGGGKFQSZNLK-QGZVFWFLSA-N 441.540 0.896 30 10 ICEE C=CCN([C@H]1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C1=O)[C@@H]1CCN(C)C1=O 1854241934 SHXJFLXODUKRSL-MSOLQXFVSA-N 433.530 0.697 30 10 ICEE CC1(C)C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1CCC#N 1855896411 RQARGCPTUIKJNE-UHFFFAOYSA-N 434.518 0.684 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1858334313 DZLOTDUDQAXLRY-CYBMUJFWSA-N 447.498 0.882 30 10 ICEE N#C[C@@H]1CC12CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 1892121832 RAOKWYYQNKKZTG-KRWDZBQOSA-N 446.529 0.590 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2313209632 ANWMCRSCPHQHOA-OWCLPIDISA-N 438.330 0.859 30 10 ICEE CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 20074429 TWLQXKLDYSEJDW-ZFCANOHDSA-N 425.401 0.229 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541800190 UPIYIFWFRKWMLQ-UHFFFAOYSA-N 430.486 0.802 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cn1 734600068 VSBAVWNTJJNRLW-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 735923749 XCBXPIQZEKUIPI-UHFFFAOYSA-N 427.910 0.572 30 10 ICEE CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 747603499 SHRWSIXCUDGTIR-HNNXBMFYSA-N 437.547 0.955 30 10 ICEE C#CCN(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC)[C@H]1CCS(=O)(=O)C1 749281802 WZYJCHPMBCTQIS-QFBILLFUSA-N 431.514 0.491 30 10 ICEE Cn1ccnc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)c1=O 758776829 MHXVDMSZIQDTLW-HUUCEWRRSA-N 431.497 0.371 30 10 ICEE C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 799073096 BAGGPGRPCBVOSO-CYBMUJFWSA-N 445.335 0.974 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C#Cc2ccc4c(c2)OCO4)CC3)CC1 803416900 WXTSIFXOTLPZTD-SFHVURJKSA-N 449.511 0.730 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(=O)nc1O 1167523458 FAWCNRDUWAJASF-NSHDSACASA-N 446.261 0.752 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286784341 FGXFEGRWJOWEMJ-IBGZPJMESA-N 449.515 0.947 30 10 ICEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300422017 WJYPIMXRNWODGZ-UHFFFAOYSA-N 438.536 0.480 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300495141 DKHOXGZVCXOOLK-FYCBBRDGSA-N 442.607 0.956 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1314629711 SBCCTSXIQUAPAV-FGTMMUONSA-N 431.541 0.801 30 10 ICEE C#CCN(C(=O)c1cccc(NC(=O)CSc2nncn2C)c1)[C@H]1CCS(=O)(=O)C1 1323905761 PMBKYLLGTASSPV-INIZCTEOSA-N 447.542 0.808 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507651462 ASOPVDJTYWBQQK-RTWAWAEBSA-N 432.528 0.917 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1507968252 QNIAWFBZOPHQDZ-QAPCUYQASA-N 444.627 0.718 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1507979988 DKNYJRRZABVJKD-MRXNPFEDSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1508093110 UARUFWUIIUGXHE-OAHLLOKOSA-N 438.510 0.143 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N2CCOCC2)C1 1508132659 YHFNHUKOFYHXHB-GOSISDBHSA-N 429.525 0.780 30 10 ICEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CC(=O)Nc4ccc(C#N)cc43)cnc21 1535158989 FKHGDSOSDUXKCM-UHFFFAOYSA-N 442.233 0.749 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1539052268 CCUVXPHHNUUHRM-CQSZACIVSA-N 446.599 0.210 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1539430474 KIUOCOPPORXAEI-QFIPXVFZSA-N 439.520 0.228 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2CC)CC1 1539477677 VMBFFLWVIMRZCK-QZTJIDSGSA-N 427.553 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1540897275 FUQWHHJOZUTYAR-UHFFFAOYSA-N 447.583 0.031 30 10 ICEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1561574587 XVFIMTPNNXHVQC-KRWDZBQOSA-N 446.547 0.884 30 10 ICEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCOC 1595489526 HQRYVHYMVYOLKM-UHFFFAOYSA-N 435.554 0.931 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595938357 UBTURXZAGPOCPG-ZFWWWQNUSA-N 440.909 0.341 30 10 ICEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 1606788479 NSAWELZXFQVAAQ-MAUKXSAKSA-N 425.468 0.923 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cccc(C#CCO)c3)ncnc1-2 1616463824 SVTLLCSJALDCFM-UHFFFAOYSA-N 429.278 0.685 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 1617866573 MLTJDJNMXCPUFT-KGLIPLIRSA-N 447.916 0.929 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1639963164 USXJFPGPYHFDBO-LJQANCHMSA-N 432.502 0.723 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1690103884 IMAZSUYTNYAXBF-QGZVFWFLSA-N 437.566 0.887 30 10 ICEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1698335941 MHYMYEIOTOQEDK-BBRMVZONSA-N 425.518 0.715 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705634721 HCUGZJILZSYJFQ-OFNKIYASSA-N 444.580 0.944 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722361083 FKGNNTOTIKRPOU-DLBZAZTESA-N 446.529 0.996 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722369255 WXCGRKILIDSTIS-AWEZNQCLSA-N 429.493 0.944 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1722621661 BGNZIEWDODGPQE-HZPDHXFCSA-N 428.559 0.002 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626351 UDGDJHQCONSCJF-KRWDZBQOSA-N 445.545 0.592 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)CC)C1 1740971577 ZNBYJEWNKJPZPK-HNNXBMFYSA-N 426.543 0.235 30 10 ICEE C[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743116007 NBJJABJJLWCUKX-OFXSGMSSSA-N 434.522 0.695 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1748219111 WXVBMXMRLNDOFM-DXQAYGFFSA-N 445.524 0.344 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1748845918 BXGKHLBXROKHKD-INIZCTEOSA-N 427.534 0.619 30 10 ICEE C=CCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749439619 FCFWOJVABHIBFV-IIBYNOLFSA-N 432.525 0.432 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cc(CO)nn2)CCO1 1750387959 GGLPAZHFSKKCFG-GOSISDBHSA-N 426.456 0.911 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760351498 HWLYNDPPJRHYQF-LSDHHAIUSA-N 428.559 0.538 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)C(C)(C)C2=O)CC1=O 1854771589 GTMKRVWLZWJEAY-AWEZNQCLSA-N 437.493 0.998 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(=O)NCc1ccccc1 2247950987 FXMKGFUTYVHYHC-UHFFFAOYSA-N 434.327 0.314 30 10 ICEE CN(CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)Cc1ccccc1 2255933078 KJYCYBQNADOMII-UHFFFAOYSA-N 449.386 0.915 30 10 ICEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1NC(=O)C(F)(F)F 2267272333 YYZHHKSQSQCKHR-QWRGUYRKSA-N 445.251 0.643 30 10 ICEE CC(=O)C1=C(O)[C@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@H](C)[C@@H]3[C@H](O)[C@@H]2[C@H](N(C)C)C1=O 196548745 APPMTRBUFCUCRC-CUFAJWIOSA-N 443.452 0.600 30 10 ICEE CC(=O)O[C@@H]1[C@H]([C@H](COC(=O)c2ccccc2)OS(C)(=O)=O)O[C@@H]2OC(C)(C)O[C@@H]21 255963093 ASSGEEKBKJCWQS-ZNFSNMQZSA-N 444.458 0.996 30 10 ICEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 462084647 OZLFCCDXPHZXEC-QGZVFWFLSA-N 445.505 0.797 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474355582 MEDINURQTBSYPM-MRXNPFEDSA-N 428.514 0.058 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 517663901 LVPVLEKMJVLATB-CQSZACIVSA-N 435.506 0.707 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 583720864 CNCCCHLUCWAVTA-HZPDHXFCSA-N 440.570 0.490 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 603797151 CUFISTBZJCDGCM-UHFFFAOYSA-N 438.553 0.356 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 608843166 DNRFCXANIFVBPJ-UHFFFAOYSA-N 449.519 0.314 30 10 ICEE C[C@H](CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 747436935 JSCLKMOWKHUKMJ-CJNGLKHVSA-N 434.518 0.400 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764981732 MAVZPGBCIKHLLY-UHFFFAOYSA-N 438.509 0.980 30 10 ICEE Cc1nc(CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)no1 785319551 TXQPIYNUDDOCTE-JWGURIENSA-N 434.478 0.788 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286388773 BPNFZDHPRAPPCR-HOTGVXAUSA-N 431.522 0.061 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CC1 1286470600 AJKATWLCHGNKLH-OXJNMPFZSA-N 438.598 0.585 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1286496291 PKIDWUOPNPFDGN-MRXNPFEDSA-N 449.606 0.976 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286807890 HFJOURDMLPOUSI-MMYRVIJDSA-N 441.492 0.537 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286824793 JJYOELDNSGBYMB-KXBFYZLASA-N 441.554 0.233 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1286940779 HBWMOHFDIJHXGP-SIKLNZKXSA-N 439.520 0.225 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1COCCO1 1288840005 FTDTUPRLCDBUCI-RLFYNMQTSA-N 426.543 0.824 30 10 ICEE Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290876520 OAFGCXJINDQGQI-VXPUYCOJSA-N 429.525 0.662 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300497934 FGOWXYIAQQIBQQ-MOPGFXCFSA-N 445.545 0.696 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CC(F)(F)C2)C1 1316354343 GLVOQEOMHCCCSM-ZIAGYGMSSA-N 446.480 0.385 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1358872665 XFGHVPVVVIHWJS-JKSUJKDBSA-N 425.603 0.372 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359299935 PZFUPLYAOZXPBI-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(c3ccc(Br)cn3)CC2)c(=O)nc1O 1464830542 ZZHDLEFGGFRVSI-UHFFFAOYSA-N 433.266 0.717 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(Br)c3ccccn23)CC1 1471450785 JGZZFLIGHHAWAA-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1502426607 HBLKSZQFCGJEGP-GOSISDBHSA-N 436.520 0.353 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507590510 CFSVJATYTSMHGU-VQTJNVASSA-N 443.596 0.874 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508080475 BPUVSGSCXOXDDI-UHFFFAOYSA-N 433.538 0.408 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539417232 ZKGULHZQAZUCPO-CQSZACIVSA-N 439.563 0.917 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1540871399 KZUOBWHVKOYQQF-ILXRZTDVSA-N 426.543 0.148 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C 1541925482 DEFGTDPVVOPGCP-HOTGVXAUSA-N 439.586 0.739 30 10 ICEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1546793303 HVDOQOLASJUZRC-VMLVWOMUSA-N 449.581 0.754 30 10 ICEE CN1CCN(C)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558543763 MPUMWOWQNPSOEQ-UHFFFAOYSA-N 435.594 0.991 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1588594882 LEMKEGUCCCSONX-UHFFFAOYSA-N 429.506 0.611 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)CC)CC1 1588930422 VSLIYTMXMUELPQ-UHFFFAOYSA-N 436.582 0.841 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1595776704 DDQLXZKMXYUSNF-UHFFFAOYSA-N 443.533 0.879 30 10 ICEE COC(=O)CCN(CC#N)C(=O)CNC(=O)c1ccccc1I 1642946282 GHXOVKQIBKVXKL-UHFFFAOYSA-N 429.214 0.936 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689986551 SEFCBKLXYHBNAK-IEBWSBKVSA-N 444.561 0.688 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 1690375177 CHHSXAVRGWSQRQ-OAHLLOKOSA-N 426.543 0.246 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1694792921 LVIXULNZEAYJAT-IPMKNSEASA-N 440.504 0.983 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1705477080 IWFUCJZDTNLTBX-LSDHHAIUSA-N 439.563 0.820 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1705577088 UOQZZYULAFHWOS-NRFANRHFSA-N 443.529 0.420 30 10 ICEE CCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1709447448 ALXOMLXESDUSJN-QFBILLFUSA-N 440.570 0.902 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1710873091 GPPWJTNPGULQSB-MRXNPFEDSA-N 437.547 0.875 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722382336 YCJCFSKDXIMLOU-DLBZAZTESA-N 433.520 0.803 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)C 1722726166 XOWIOLMXNJQJGN-UHFFFAOYSA-N 426.543 0.076 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1740657734 WYKOOOHXNDUYIH-SFHVURJKSA-N 433.578 0.490 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748801538 CKHVVAWWFXFHAA-OAHLLOKOSA-N 448.549 0.950 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCN1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748814774 IYSCPCPANXOMDH-LJQANCHMSA-N 448.593 0.336 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1748859387 SMMWJFHEWLUDRL-SFHVURJKSA-N 449.577 0.769 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1748950858 QUPLEWWXIALJPY-NRFANRHFSA-N 435.525 0.264 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749734784 MWDLLUGDSGNFRZ-HNNXBMFYSA-N 438.554 0.550 30 10 ICEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1750219073 FEXCWPYBJHAFTE-LTUDEVEQSA-N 429.543 0.923 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1760191587 JZNGVOBIGKJCLW-SFHVURJKSA-N 434.566 0.929 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCNS(C)(=O)=O)CC1 1760268271 OXCPLGYHFXALRU-UHFFFAOYSA-N 444.561 0.850 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760542496 HXYMNRNQHDATNV-ARFHVFGLSA-N 444.579 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1760554459 DVAHKHUJFAQPJJ-CVEARBPZSA-N 446.595 0.644 30 10 ICEE CN(c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1766971072 BOHWNNMVMFJDBS-ZFDMEJTGSA-N 434.522 0.695 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513684 SVBMKMDRBKEGIY-LPHOPBHVSA-N 434.452 0.755 30 10 ICEE C#CC[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 2210482782 SZCAMMZOXPEADM-GBJTYRQASA-N 427.498 0.360 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1 2267193578 HOGBALVCISGHQN-HNNXBMFYSA-N 448.329 0.830 30 10 ICEE C#CCO[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286033311 REDLMXKPFHSNKN-ZWKOTPCHSA-N 438.502 0.898 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cn1C 481050617 BZFGJLXZIWGMAS-UHFFFAOYSA-N 427.483 0.435 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)nc1 727417101 DRNWLLCVVUBCAS-UHFFFAOYSA-N 440.481 0.551 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 728072553 DITQAXXQETWKLG-QGZVFWFLSA-N 449.577 0.564 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOCC)c2=O)cn1 735068031 CIDPPKLVHHMICZ-UHFFFAOYSA-N 431.562 0.828 30 10 ICEE C#CCN(C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 774026428 SOTDLYCRZWVQPB-CQSZACIVSA-N 441.531 0.790 30 10 ICEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 778731832 ABQKFVIJEOFUPF-ZCXUNETKSA-N 436.415 0.888 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 790163616 VURQJXMVIIQMJU-CYBMUJFWSA-N 448.950 0.861 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1153261970 FJTOTQSDJZLHKA-KRWDZBQOSA-N 442.559 0.145 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1286343599 XCZGEXWBHJINMA-INIZCTEOSA-N 435.554 0.920 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286387375 QHWDISNCEFIXOI-LSWWBPAMSA-N 433.534 0.830 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286485369 JESOHUNQQCCTBG-QTIQAUKSSA-N 425.493 0.411 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1286553684 FOZMQFFYVBVPIN-BXWFABGCSA-N 432.525 0.505 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)CC1 1300682761 JOIJDQPIQCAZRB-HNNXBMFYSA-N 434.570 0.042 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300732248 KZVSLXMJQMRSBD-UHFFFAOYSA-N 445.593 0.281 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1300732641 BUFDXKLPTRRFRK-HNNXBMFYSA-N 442.611 0.559 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301045757 WVZYLQFOBZTUOY-STQMWFEESA-N 442.929 0.405 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1301424534 LURMIXPUZNGGJT-KRWDZBQOSA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301500086 JBGXLGXNDYVWBY-IBGZPJMESA-N 438.532 0.976 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358966254 KWMRZPPVBZWFOR-DLBZAZTESA-N 433.534 0.720 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359296378 HOYJRZHDRJIGJG-KRWDZBQOSA-N 448.487 0.592 30 10 ICEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1360728131 HOTYOZUSUQXROB-IYOUNJFTSA-N 437.547 0.878 30 10 ICEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1444640433 NNNFDCRDKSJSTE-GOSISDBHSA-N 432.546 0.165 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c(=O)n1CCO 1473078788 LEJRLJOQXGQTHK-UHFFFAOYSA-N 440.378 0.396 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1503476836 COXDCTNUIYFFQD-UHFFFAOYSA-N 445.549 0.914 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1517125586 SASRMQOZHYHVPD-QGZVFWFLSA-N 446.533 0.644 30 10 ICEE CC1=CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1542801708 WVMRQDBRSAJXIH-UHHPSXQGSA-N 446.533 0.863 30 10 ICEE CS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1555818955 HJFIGTKSWYCGCQ-KRWDZBQOSA-N 426.449 0.987 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC3(CC2)NC(=O)NC3=O)s1 1556532064 JFUZVHFIRJQCJL-UHFFFAOYSA-N 426.520 0.392 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3nc(COC)nn3C2)s1 1566301870 CBSYBKUYNILEDJ-GFCCVEGCSA-N 425.536 0.624 30 10 ICEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1620054686 MZBDZWOXVOIENG-IBGZPJMESA-N 440.504 0.917 30 10 ICEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 1620623366 UPRWBOZKUDTUDY-SFHVURJKSA-N 444.916 0.926 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1cc[nH]n1 1627476114 WOZOKGLBLSRTQT-RYUDHWBXSA-N 445.398 0.563 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)s1 1628743046 ZVGMNQZKFCDDTE-PIGZYNQJSA-N 426.520 0.249 30 10 ICEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC4(CC3)CC(=O)C=CO4)c(CCO)c2=O)n1 1639651713 OBZRCVQYENVQOZ-UHFFFAOYSA-N 427.461 0.585 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OCCOC)CC1 1643372257 CSKDSWYGXCYRBV-UHFFFAOYSA-N 447.517 0.123 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1668200486 ZUMURNCLNYCVJL-UHFFFAOYSA-N 429.289 0.566 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 1671027467 NKKKVSKSRNZKND-CQSZACIVSA-N 443.932 0.853 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 1689931635 DJLDCJQKFMOYSX-QFBILLFUSA-N 439.538 0.020 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689996712 MOXDHUYUGMVSHR-QGZVFWFLSA-N 431.518 0.589 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690655307 OELURNVAJCCFGA-ZIAGYGMSSA-N 426.543 0.074 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1691003372 GNPJWJXCIZDRDM-RHSMWYFYSA-N 434.522 0.961 30 10 ICEE COCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1698092251 NPQZTYDQXASSCB-UDJKBAMHSA-N 429.525 0.839 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705509312 DTBGXUGNBAPCCQ-HUUCEWRRSA-N 431.584 0.705 30 10 ICEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705544532 UJLWYKKPAJUKTE-FQEVSTJZSA-N 426.502 0.954 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)C1 1705925897 VTXIDZWMLBOBGP-CVEARBPZSA-N 439.538 0.804 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1712696417 AMWWUFFUQZROTC-LSDHHAIUSA-N 445.567 0.124 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1740640795 WNYVCAYPAJEZKH-SFHVURJKSA-N 428.518 0.322 30 10 ICEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)COCCO1 1742013215 LDYDTUKHVPKYGN-NRFANRHFSA-N 426.477 0.861 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1748906511 FKVVGRZSSZNBEA-OTWHNJEPSA-N 449.577 0.889 30 10 ICEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1750031101 VKMCYGJUGKZBGH-MRXNPFEDSA-N 432.506 0.604 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760127244 UNJVEIMKHYMVDC-YVSFHVDLSA-N 425.555 0.742 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnnn1CC1CC1 1760173408 UNCOYDVQNAWDEW-UHFFFAOYSA-N 426.506 0.863 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760181916 DNYZKAPUSYPBHA-KRWDZBQOSA-N 438.598 0.773 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760526277 JSIIKZSJFDYFBM-INIZCTEOSA-N 425.493 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760547134 DXNMUUJPSOVPJW-SJORKVTESA-N 436.582 0.788 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1760555944 QVULEZFOZJUYJV-MRXNPFEDSA-N 441.554 0.591 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 116940451 IOFQEWCMIYONAB-ZWKOTPCHSA-N 434.537 0.415 30 10 ICEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O 440389876 VKJBSVYLPZZUIG-UHFFFAOYSA-N 442.541 0.269 30 10 ICEE N#CCCN(CCN1CCOCC1)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 471228124 UULURSWHNIRECO-UHFFFAOYSA-N 427.549 0.955 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ncccc2C#N)CC1 474411956 JBAJHNZOLCKHNC-HXUWFJFHSA-N 426.477 0.217 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 481797369 SEAYEOZMHAUWNB-KRWDZBQOSA-N 431.537 0.912 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 512721572 WOGDGCVTLICALL-INIZCTEOSA-N 427.530 0.431 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 555007764 IFYWXLGUJMBZPL-UHFFFAOYSA-N 425.436 0.881 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 558921753 SAIGPGNWWYSYLJ-OAHLLOKOSA-N 429.546 0.094 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 558996417 DHGNJOUGAJHZNU-AWEZNQCLSA-N 434.513 0.574 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)cn1 732561897 VYLUBIMFFXWLLC-UHFFFAOYSA-N 449.536 0.786 30 10 ICEE O=C1NC(=O)[C@]2(CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)N1 790231382 LZHJJQHSBMSBRW-HXUWFJFHSA-N 447.517 0.486 30 10 ICEE COCCn1c(C)cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1C 917355281 DVWODSWORYSXCA-UHFFFAOYSA-N 441.557 0.333 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 918615810 BLTNZSGXXTURHO-BVYMSHKCSA-N 445.501 0.549 30 10 ICEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1181194197 VYJCPCWYQFJHAP-INIZCTEOSA-N 429.454 0.557 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286556429 PEHXDCRQYGXOKZ-HLTONANMSA-N 433.509 0.571 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1286781723 YPVSQIRSMDQTBP-UHFFFAOYSA-N 427.509 0.751 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286785685 PVFYOOWPCOBTGE-UHFFFAOYSA-N 449.581 0.836 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1286818338 HGAKFPBUEUQRPX-UHFFFAOYSA-N 435.510 0.358 30 10 ICEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1289207065 SNMQHAITDYNLOC-YEWWUXTCSA-N 425.532 0.437 30 10 ICEE C=C(CCC(=O)OC)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1294000169 SNLKCXCOKMUNOD-UHFFFAOYSA-N 445.538 0.589 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 1303932989 DNMNCJSIJYBGST-DNVCBOLYSA-N 436.538 0.169 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1359035134 LWSBOQJITXAEGH-CYBMUJFWSA-N 432.422 0.901 30 10 ICEE CCOC(=O)c1ccc(NCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1457147575 MTINENLIAHHESB-UHFFFAOYSA-N 445.501 0.915 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507532336 GVKBRTOBADMRCC-UONOGXRCSA-N 434.522 0.745 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508070764 CNGRPLVHLGGEOT-GJZGRUSLSA-N 429.481 0.468 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1508087065 NGWAMCWHMQHXLD-INIZCTEOSA-N 427.484 0.997 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1539579123 HPLRZOHFKWELEE-VXGBXAGGSA-N 449.375 0.759 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NCCC)CC1 1539847495 GIABRHNRGDXEFK-INIZCTEOSA-N 440.570 0.684 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1540871149 FSBZJSBILPXGJU-HOCLYGCPSA-N 448.549 0.929 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)CC1 1568701403 PMFURJRCVZUCSG-UHFFFAOYSA-N 427.505 0.886 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1588233088 ATLXTUXHGUWZBF-RBUKOAKNSA-N 448.593 0.558 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCCC=C)CC1 1588929910 ISIGXYGJPKHUDE-SFHVURJKSA-N 449.577 0.739 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1618552223 IVHABZSIMOYYRD-WPZDVLLZSA-N 445.524 0.864 30 10 ICEE CCOC(=O)[C@]1(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 1630926164 OZXYLAQUJCZQDH-XOBRGWDASA-N 437.518 0.980 30 10 ICEE CCOC(=O)CON=C(C(=O)Nc1cnn(C)c1I)c1cc[nH]n1 1635688408 WGRDYEGQOSGCCB-UHFFFAOYSA-N 446.205 0.670 30 10 ICEE C#CC[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1648130057 BPABSUDUGIXOLT-QGZVFWFLSA-N 439.509 0.593 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1681936984 WCHUJNKXNJTQJN-UEXGIBASSA-N 430.530 0.800 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 1682820278 ULJJVPJRHVGZIF-LJQANCHMSA-N 432.546 0.875 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1690660520 JHGVWXPLVMPIOZ-LLVKDONJSA-N 436.460 0.889 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1690662085 QLWLHCGGOSMYIP-UHFFFAOYSA-N 444.492 0.599 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1690722211 BBVWCKDFLHNJAD-UHFFFAOYSA-N 442.567 0.293 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCCC2)CC1 1705632766 BAGWTFFQBAXISZ-QZTJIDSGSA-N 437.614 0.375 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1 1705912425 JPLABLWGKFZBLX-AEFFLSMTSA-N 440.504 0.794 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1722323567 FMQLCSKQKQJWJH-MRXNPFEDSA-N 442.549 0.895 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722364071 DSWHLVUGUAIWNL-KRWDZBQOSA-N 430.534 0.417 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722368890 UJXWDGRZONETCC-DLBZAZTESA-N 428.518 0.494 30 10 ICEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1727286624 KBHKMUPZOAQLSB-QGZVFWFLSA-N 437.504 0.515 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1730585886 FGHWPYRRAIWUAH-IRXDYDNUSA-N 439.476 0.657 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1740628477 QKNMULCYADSROW-ULQDDVLXSA-N 426.539 0.493 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1740637336 YTOBORHZBTWUMG-INIZCTEOSA-N 430.534 0.972 30 10 ICEE Cn1cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cn1 1748010905 YPRFIWXPZCJZEI-UHFFFAOYSA-N 430.494 0.710 30 10 ICEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760157578 UFOQZAHRFXHVPT-UHFFFAOYSA-N 443.577 0.893 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1760471389 UMFNNGCDAUVHKG-UONOGXRCSA-N 431.584 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1nncn1C 1760548634 MDPNRULFDDGQMX-HNNXBMFYSA-N 448.553 0.585 30 10 ICEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1851728103 ALFLPFCOXNQUDF-KRWDZBQOSA-N 425.938 0.945 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(S(C)(=O)=O)CC3)CCC2=O)CC1=O 1856974162 CIYBOFILKOLECZ-CVEARBPZSA-N 425.551 0.295 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1858334885 LGEJTOKVKYDDPS-HNNXBMFYSA-N 446.510 0.794 30 10 ICEE CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1 1858336632 UZLBTJNJTSRMSP-MRXNPFEDSA-N 440.547 0.109 30 10 ICEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870349110 AMBRSUPOOQSUPU-GOSISDBHSA-N 426.517 0.790 30 10 ICEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870561026 WHLINLJEQVUUSP-UHFFFAOYSA-N 438.532 0.305 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)CC1 1890123234 MNTNCMQSZQNOHW-NRFANRHFSA-N 447.624 0.045 30 10 ICEE Cn1nc(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 2267113850 ZTVDBTRLGZKUID-KBPBESRZSA-N 447.345 0.957 30 10 ICEE Cc1cc(C)cc(/N=C2\N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCOCC4)[C@H]3S2)c1 20504134 BNRGRQABUAAMSB-LJDSDSDDSA-N 448.589 0.555 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)CC2)o1 29710525 UELJQQZXWGJDJM-CYBMUJFWSA-N 444.517 0.602 30 10 ICEE COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465411058 AFMNBZZYBUYUOL-CQSZACIVSA-N 438.444 0.576 30 10 ICEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 533138315 ZXFGTEHNJWRYPK-INIZCTEOSA-N 448.545 0.915 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 732465189 DIOMWDKILIZRRW-ZCXUNETKSA-N 433.490 0.229 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)n1 800595775 GGBJEMKJMHSSKM-UHFFFAOYSA-N 426.477 0.673 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOC)CC1 802470611 RFAMDNPLSFBWDA-UHFFFAOYSA-N 442.520 0.787 30 10 ICEE CC(C)n1cc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cn1 1084567039 CUQYKYXMYVMZPZ-UHFFFAOYSA-N 429.470 0.453 30 10 ICEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1116556402 NYYLRIUFSYPCIJ-QGZVFWFLSA-N 439.534 0.932 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CCN(C)CC1 1178974283 HXRCWXYGEHIFBN-SFHVURJKSA-N 435.594 0.846 30 10 ICEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286318848 ZDVMRGYWUVDDAA-GOSISDBHSA-N 435.492 0.676 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286489652 BAGCIXULIZRUFP-MRXNPFEDSA-N 444.561 0.684 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286779373 ITIOVGMASCTNJP-DNVCBOLYSA-N 441.554 0.319 30 10 ICEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)CCC2 1290288155 XUZPWQVPUBJMEL-PMPSAXMXSA-N 448.553 0.700 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1299300002 AFKDOWSRSYKOAP-PBHICJAKSA-N 434.522 0.606 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300496067 NMRAEWRWWMWDHA-CABCVRRESA-N 449.499 0.903 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301196459 BXSFETJVIDQFAJ-ZDUSSCGKSA-N 439.542 0.375 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301499124 YJBMJEDEAZXLRG-IXDOHACOSA-N 431.541 0.078 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301585261 JSWJAEITRYDHTJ-CVEARBPZSA-N 433.538 0.007 30 10 ICEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1314556581 BYFWPDIVWSYORD-UHFFFAOYSA-N 430.538 0.688 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358968115 ZQAFZRNNFLBDDZ-IAGOWNOFSA-N 433.538 0.518 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1359049854 XDJGNRIEBJZWQI-YOEHRIQHSA-N 429.568 0.250 30 10 ICEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359228006 RGUWVZKOMKFLJT-LJQANCHMSA-N 438.532 0.917 30 10 ICEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1494600881 AORJZVSRSALRPN-FUHWJXTLSA-N 439.520 0.761 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC)CC1 1507723038 RNSAKUVMPFIJAW-UHFFFAOYSA-N 445.545 0.906 30 10 ICEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1511497919 FUNWESMKCCIPTA-WCQYABFASA-N 425.540 0.739 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1537488938 VDQJIDOOWBBGGJ-UZLBHIALSA-N 446.485 0.179 30 10 ICEE N#C[C@@]12CN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1538308666 OIOQTRUGGNUTCY-GUYCJALGSA-N 440.319 0.966 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539211004 INSFJBWCNGBMJN-INIZCTEOSA-N 432.550 0.825 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)C(C)(C)C)CC1 1539462970 QIWRFOALLWPGTQ-ROUUACIJSA-N 432.569 0.920 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 1556504125 LOCGOOOPGXWFLV-UHFFFAOYSA-N 443.289 0.576 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588034705 KSMNKNBPGGYBME-PXNSSMCTSA-N 448.549 0.523 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCS(=O)(=O)C1 1588293173 PPRNRWPSBZYJKP-OAHLLOKOSA-N 426.506 0.815 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)CC1 1588743198 YNKSBJBMCITSHZ-HNNXBMFYSA-N 433.538 0.095 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 1588811351 HJPFEKAXRBPSHU-CQSZACIVSA-N 435.579 0.398 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1595784397 FIAMPIGECHUHQX-UHFFFAOYSA-N 434.522 0.236 30 10 ICEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1596795096 QPQVDZQZKCZINH-HNNXBMFYSA-N 426.491 0.954 30 10 ICEE C#CCNC(=O)CCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618538716 HWRPIWUEVOMCTK-ROUUACIJSA-N 433.553 0.994 30 10 ICEE N#Cc1ccc(Cn2cc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cn2)cc1 1636093801 YMAIPCCFMJZKCQ-WMZOPIPTSA-N 427.486 0.777 30 10 ICEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1639046034 ASWQNAXDKZDARW-DZGCQCFKSA-N 428.532 0.992 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 1677654801 MVFYCMWUHBBDIM-UHFFFAOYSA-N 433.534 0.498 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1705651884 KGSNGPNUGVDIKW-KGLIPLIRSA-N 428.584 0.347 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)CN(C)C2=O)c1 1722310125 SVMCYDUYWDNWPS-HXOBKFHXSA-N 449.515 0.764 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722368907 UJXWDGRZONETCC-IRXDYDNUSA-N 428.518 0.494 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1740548811 CDEOVTUNWRVNCL-BBWFWOEESA-N 437.566 0.886 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn2ccccc12 1740686366 RRGZZSIOORKWBB-INIZCTEOSA-N 428.518 0.962 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCOCC2)CC1 1740701171 WZRDTACPXSGDDQ-UFYCRDLUSA-N 432.569 0.478 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740990406 UCUZTYYWAOOCAM-DNVCBOLYSA-N 436.538 0.664 30 10 ICEE C#CCN(c1nnc(C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCS(=O)(=O)C1 1748804154 DXACQSDXRPUPRH-SJORKVTESA-N 444.565 0.714 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748808064 HKRWOIUHHXKCBY-NQIIRXRSSA-N 441.513 0.595 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1748971671 YOCQUUIVBJVTLV-UHFFFAOYSA-N 433.520 0.801 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1760225279 MMXITYKWPKQNRU-CQSZACIVSA-N 429.510 0.372 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1760263490 CRSOGYCNHVZDLI-LJQANCHMSA-N 444.561 0.775 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1)C1CC1 1760476779 GNABRSAVMGGGEN-HBIPHATFSA-N 443.595 0.677 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)OC)C1 1760543246 NWTZBQUMNGVYAJ-BZUAXINKSA-N 429.543 0.427 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1761264270 KWOXBVWEHLVKJQ-MRXNPFEDSA-N 427.509 0.942 30 10 ICEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1769314481 FZHSJBCKGPWIEZ-UHFFFAOYSA-N 428.493 0.843 30 10 ICEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769727940 IDKWNYBOHPXUHY-LSDHHAIUSA-N 425.497 0.642 30 10 ICEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1770153033 KPQZJGQFVAGVGS-MRXNPFEDSA-N 435.506 0.740 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CCO1 1771536805 CEZPOYNWMYDRJS-GVDBMIGSSA-N 439.538 0.495 30 10 ICEE N#CCS(=O)(=O)N1CCN(C(=O)CN2CCC(F)(F)CC2)C(=O)C12CCCCC2 1854419259 YVESBJPVAWIDFR-UHFFFAOYSA-N 432.493 0.945 30 10 ICEE Cn1cc(S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 1890953225 YJMLZIYAXXEKLP-UHFFFAOYSA-N 431.392 0.464 30 10 ICEE C=CCNC(=O)NC(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195276589 JCBDMCDHOBNQHT-INCQDFKNSA-N 439.490 0.905 30 10 ICEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 16733322 RNOODXIFYUSRSS-UHFFFAOYSA-N 448.526 0.613 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(CCOc3ccc(F)cc3)c2C)CC1 501552253 PAJTYVYPOYCBKJ-UHFFFAOYSA-N 430.484 0.865 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 538916958 JSNLLHAGSPEKEC-FXAWDEMLSA-N 434.518 0.912 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 603798828 OHZVSTGWWYQWBN-QGZVFWFLSA-N 445.516 0.884 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#CCN)c1 703978272 NETUPEFHTOLBQE-UHFFFAOYSA-N 426.498 0.878 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)c1=O 770678560 PJHGPCRMSYUNGA-GOSISDBHSA-N 443.548 0.616 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1149050938 HYBOKSYOYTXQEG-ATZDWAIDSA-N 432.546 0.985 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(CCN(C)C)c2-c2ccccc2)CC1 1152974550 VMTBQDGTQDGVBB-UHFFFAOYSA-N 444.561 0.337 30 10 ICEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(C)CC1 1220728854 CIWSBDHXENLHRU-UHFFFAOYSA-N 434.562 0.947 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286466852 ORODVQGPMFNKNR-GOSISDBHSA-N 432.550 0.631 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359304834 LABVKICBGHSLIL-UHFFFAOYSA-N 446.483 0.593 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)c1 1453685407 HFCCQBCCJNHICQ-FQEVSTJZSA-N 437.518 0.241 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1453745278 VXLOZFCJTHAJDW-RDJZCZTQSA-N 436.428 0.360 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1507599996 AERPQWOLFDGYQU-OAHLLOKOSA-N 448.549 0.959 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N(C)C)CC2)c1C#N 1511663475 GYEKTUPKMBWEIX-OAHLLOKOSA-N 442.572 0.607 30 10 ICEE CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513930653 ZYRPIQDYQVMCGL-VXPUYCOJSA-N 444.540 0.014 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1516029399 YIALDFMQHOPZDX-GOSISDBHSA-N 445.549 0.861 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)CC1 1521423929 YKUROGPDWQPHMV-DCOQFNDQSA-N 434.522 0.267 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1539360020 XLSLUNRIUUMMJK-UHFFFAOYSA-N 441.521 0.416 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1539504550 JYMNEHMFMDFEPZ-INIZCTEOSA-N 437.533 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1540897928 VWGZWPSOBCOOOD-GJZGRUSLSA-N 449.599 0.350 30 10 ICEE CC(=O)N1CCc2c(sc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2C#N)C1 1586961981 IZIIGRXHKDDNKP-UHFFFAOYSA-N 434.503 0.607 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595467759 YVKLHJJTVCXQDL-IYBDPMFKSA-N 446.895 0.725 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCCC1=O 1629700622 WMXCKQUJKXXABM-HNNXBMFYSA-N 434.518 0.939 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 1636475679 RWPRTKRVOQUCKY-UHFFFAOYSA-N 432.458 0.338 30 10 ICEE N#CC1(C[C@H](O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCOCC1 1659571481 XHDRADCDJHMHET-IBGZPJMESA-N 436.578 0.654 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689988152 KDQDYNVYJLOZSD-RIFZZMRRSA-N 432.550 0.856 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1690111475 CGBBJANCINTJQH-HTAPYJJXSA-N 430.553 0.768 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690669621 KFMCLUCECQCXFD-UHFFFAOYSA-N 428.497 0.515 30 10 ICEE C#CCN(c1nnc(COCC)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705572278 WPUJXOKHQPIFDB-OAHLLOKOSA-N 435.506 0.464 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705724935 ZYYZVGQCZRDZRQ-IAGOWNOFSA-N 433.557 0.469 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N2CCNC2=O)CC1 1705932045 JBSYUMHUTUYMQF-UHFFFAOYSA-N 447.565 0.878 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1711378747 VHSMJEVMJNRJAC-UHFFFAOYSA-N 435.492 0.990 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1722321420 FGWSWWPTGMWSED-MRXNPFEDSA-N 436.524 0.983 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722362346 AJRYPUQJJMGAPI-SFHVURJKSA-N 436.582 0.192 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(CCOC)C1 1722400839 AVGXHLKWZXBFPQ-GOSISDBHSA-N 426.521 0.358 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1722696995 GIKJHBIKIWJSGL-UHFFFAOYSA-N 431.497 0.076 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722703555 BMXOIUPMOGQBOF-JOCHJYFZSA-N 446.552 0.681 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1726444918 ANETWXWIZRBSNZ-HNNXBMFYSA-N 435.492 0.658 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740694864 WGSKTMKOIQZOHB-MOPGFXCFSA-N 428.585 0.010 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(OC)CCOC2)C1 1740972630 KPHIDSZEKIOTFR-RKVPGOIHSA-N 429.543 0.475 30 10 ICEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749220373 GTQRSJQAYUJYEP-UHFFFAOYSA-N 439.520 0.860 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760186130 APZCYEXSLPLRAK-HUUCEWRRSA-N 448.574 0.923 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1760282151 WWJZUSHNGONIJT-INIZCTEOSA-N 439.607 0.851 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1760548510 IDUTUSZFWXIJLC-SFHVURJKSA-N 427.527 0.013 30 10 ICEE C=CCSCCn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760564949 KTZUYBBSXGFXHF-UHFFFAOYSA-N 446.581 0.931 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)[C@@H]4CCOC4)C(=O)C3)C2)cc1 1855847987 WSWLMNACGFMUBV-IAGOWNOFSA-N 432.502 0.029 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(O)c1 1865729615 QXIFTNFITUJALG-OAHLLOKOSA-N 440.456 0.390 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NCC#CCOc2cccc(C(F)(F)F)c2)n(C)c1=O 90730495 SOGVHKVWKUQVPK-UHFFFAOYSA-N 449.389 0.651 30 10 ICEE Cn1cnc2c1c(=O)n(CC(=O)NC1(C#N)CCN(Cc3ccccc3)CC1)c(=O)n2C 479311201 QZJCLXYXKPYENG-UHFFFAOYSA-N 435.488 0.108 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CC1 512714010 KUAYUMJUEZNBFI-LJQANCHMSA-N 444.532 0.755 30 10 ICEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 524184830 WPUOKJUYKYSVBF-GOSISDBHSA-N 431.512 0.937 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 546029955 XWBVFXHWFTXHEJ-CYBMUJFWSA-N 440.547 0.298 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)n1 546877882 YZJVWUUXZNSMSG-UHFFFAOYSA-N 447.499 0.557 30 10 ICEE Cc1cnn(-c2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2F)c1 737304784 BPHFDHVUEAWLIC-ISLYRVAYSA-N 426.408 0.901 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 807577580 CFQKOJKTKFUYCX-WMZOPIPTSA-N 449.529 0.637 30 10 ICEE C=C(C)C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1132934709 SUILSKCUEUPXFV-JTQLQIEISA-N 426.271 0.907 30 10 ICEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1176070912 SYYYMZCUQXTLMK-QGZVFWFLSA-N 435.546 0.882 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cc(I)ccc3N)C2)c(=O)nc1O 1181000271 LXUXOWPDWURVSU-UHFFFAOYSA-N 437.197 0.704 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1300480219 ZYOXRFYVJQJWRN-WMZOPIPTSA-N 448.593 0.527 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1300556566 JCRQTAXWTCNWSH-DLBZAZTESA-N 435.550 0.894 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301569181 RZNLUTNBPZNRQN-GJZGRUSLSA-N 438.554 0.865 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1301952481 KDNASDNBNIMBGV-OWCLPIDISA-N 449.585 0.887 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1358976274 XSQVWSZEAHBYKH-MRXNPFEDSA-N 428.518 0.726 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cncn2)CC1 1359041821 JSFOQMPBOUZCJX-OAQYLSRUSA-N 442.524 0.188 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCNC(=O)C1 1447556314 WYVQLEOAUDTJLH-IBGZPJMESA-N 427.505 0.941 30 10 ICEE COc1ccc(-c2nnc(S)n2CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1472191911 KULVWSXVIVNXLJ-SCLBCKFNSA-N 433.515 0.639 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1479356876 CESJZKNJWZTMNE-INIZCTEOSA-N 427.552 0.463 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508129887 DYFVWYZKYZDRGV-CABCVRRESA-N 429.543 0.257 30 10 ICEE CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516849019 DDALZXBABGVYNZ-WJOKGBTCSA-N 443.533 0.818 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1539266163 MRTOKDNGQXFYBN-UHFFFAOYSA-N 427.534 0.570 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(N)=O)c2)CC1 1539477284 LJJQMVAKUROFDL-GOSISDBHSA-N 449.515 0.342 30 10 ICEE N#Cc1cccc(C2(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CCOCC2)c1 1557538247 BQCOCEWECNBLKJ-IBGZPJMESA-N 426.517 0.861 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 1567743952 SEHCEQQJPLKNTQ-FQEVSTJZSA-N 447.538 0.936 30 10 ICEE CC#CC[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583661333 DAQSDTZYFFSMDH-ZFWWWQNUSA-N 449.451 0.508 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1594733314 QUAYVQIIHZMDLX-LPHOPBHVSA-N 441.554 0.573 30 10 ICEE C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1620313123 ULGWFIZBZVRJAQ-AWEZNQCLSA-N 447.521 0.497 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)ccc1F 1632424544 HBIABUKJINSPQL-SFHVURJKSA-N 425.438 0.824 30 10 ICEE C#CC1(NC(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)CCCC1 1650954328 CSQNHOZJZZOYRS-UHFFFAOYSA-N 433.509 0.763 30 10 ICEE COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc(S(C)(=O)=O)ccc3=O)CC2)cc1 1652853140 DPGQZSWFGHDVTP-LJQANCHMSA-N 444.513 0.669 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1686084909 VWRFVNIRHPJSBK-XLIONFOSSA-N 432.502 0.653 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1690724114 IIMWESYKLBVRCS-UHFFFAOYSA-N 427.571 0.763 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690746601 DTZWJWOUUVEWHA-HUUCEWRRSA-N 425.580 0.910 30 10 ICEE COCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698219715 UCRILBWXYRUFAK-KRWDZBQOSA-N 441.492 0.817 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705821760 HNQLXWPKNSGYHE-UHFFFAOYSA-N 431.541 0.540 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1705843592 JKSLYTAPBAQUON-AWEZNQCLSA-N 426.543 0.279 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722365082 CNPUWHPINIIXES-IRXDYDNUSA-N 432.550 0.807 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722458750 SBUDYYPOGQDRJP-IRXDYDNUSA-N 447.609 0.632 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722577629 MENNGPLQSZXLDR-MRXNPFEDSA-N 449.537 0.739 30 10 ICEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC1 1729733876 KREKPIDLAAAUIC-UHFFFAOYSA-N 443.508 0.589 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1740634591 NNIMAYCJKOXSJT-UHFFFAOYSA-N 427.486 0.782 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1748817440 KVHJZZJOHACJRW-AEFFLSMTSA-N 447.536 0.951 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1748880003 JFZBJHIOGNVWAW-OAQYLSRUSA-N 428.514 0.966 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CC1 1748994679 MUSOBFJULJPDCX-KRWDZBQOSA-N 444.561 0.830 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1749536306 HGQICVVEMACDEF-AWEZNQCLSA-N 431.526 0.653 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1749600450 YZKZGWXMLKDHDC-HUUCEWRRSA-N 432.568 0.254 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749650345 TUKMEXDRYNFWQI-KRWDZBQOSA-N 428.541 0.675 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749650346 TUKMEXDRYNFWQI-QGZVFWFLSA-N 428.541 0.675 30 10 ICEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1)[C@H]1CCOC1 1766958713 PSTUGQPTJJIPTE-KRWDZBQOSA-N 431.518 0.982 30 10 ICEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2nnc3ccccc3c2=O)cc1 1852224756 SFPAQRFLWFRVPA-IBGZPJMESA-N 449.467 0.986 30 10 ICEE Cn1c(=O)cc(N2CCC[C@H](N)C2)n(Cc2cc(N3CCC[C@H](N)C3)ccc2C#N)c1=O 1857523029 WORXPYUKOKSDID-OALUTQOASA-N 437.548 0.322 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)CC1 1889770985 TZVUOAPVMOMJKZ-FQEVSTJZSA-N 440.610 0.059 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619185 NLGOAGPPWKQYEJ-JSGCOSHPSA-N 436.318 0.978 30 10 ICEE C=C[C@]1(O)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270522114 MGJCILLYVLHSJV-LPHOPBHVSA-N 426.491 0.797 30 10 ICEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2ccc(S(N)(=O)=O)cc2)C1=O 13573825 HFKUFWILJTYGFJ-ZHZULCJRSA-N 447.458 0.500 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 27560258 UDQBNIBUBBOGGT-HNNXBMFYSA-N 431.493 0.414 30 10 ICEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)NCc2ccco2)n1N 59914547 WWHCLIQRADWNHP-AWQFTUOYSA-N 433.498 0.245 30 10 ICEE C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H]([C@H]1C(=O)OC[C@H]1O)S(=O)(=O)O 96321112 CVWRSNZBRKRAAY-DJGLVPNLSA-N 432.535 0.909 30 10 ICEE COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 480298293 FMZLOYDZXXXPDM-OAHLLOKOSA-N 425.511 0.976 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C)CC1 507957328 VBLUALDTKNNHHR-UHFFFAOYSA-N 430.509 0.932 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 516388912 YPXGMAORHKSSIO-GOSISDBHSA-N 444.557 0.851 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 522310547 ZWHXWDSTUDFGTI-UHFFFAOYSA-N 434.541 0.261 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 543860771 JXDNGTRNAVDGCW-LBPRGKRZSA-N 446.510 0.840 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CC(N)=O 570466224 WKGFDJFZSZHLMX-UHFFFAOYSA-N 444.875 0.932 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 603798848 PDOHLUYOGNULNH-KRWDZBQOSA-N 425.510 0.903 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 728866408 PFXXYEFRSPAOPD-HXUWFJFHSA-N 431.512 0.543 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286393571 QVDLXEVNPKEXAI-IBGZPJMESA-N 439.545 0.867 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1286465744 RSDHEIIRKSQNTD-QGZVFWFLSA-N 431.518 0.767 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNS(=O)(=O)CC)CC1 1286476535 YOENMODULHVWHO-UHFFFAOYSA-N 432.550 0.648 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cnnn2)CC1 1286493635 OSLFZJAJQRAIFR-KRWDZBQOSA-N 427.513 0.215 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1286808867 FFYSYSVUWSVEIN-CVEARBPZSA-N 441.554 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286817063 ORGRFJGTTMTSHW-OAHLLOKOSA-N 449.533 0.875 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1300493807 WBPGRIXKIOGRHO-KBPBESRZSA-N 425.580 0.998 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)CC1 1300682904 KUHGURQHFAALGF-WWDZGPRUSA-N 438.598 0.849 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301594403 BLVDEDPQZLBYQJ-CXAGYDPISA-N 444.583 0.838 30 10 ICEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1 1304001284 AIASTLZAUYJFHI-OXTHUFEASA-N 447.513 0.705 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1358949305 YGVZVUNKWVDKFA-QGZVFWFLSA-N 437.497 0.876 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 1359165601 SFJRKGYCKAELOT-CVEARBPZSA-N 427.527 0.183 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359331414 YEVFOWHSNLGNLW-UHFFFAOYSA-N 449.581 0.974 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1503829977 GYHDBCLPHNFUGP-CYBMUJFWSA-N 440.551 0.636 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1510218418 NEIOOAXOOFVPTN-UAGQMJEPSA-N 435.554 0.410 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539704662 GKPSVFXBCPJTAG-SJORKVTESA-N 440.570 0.492 30 10 ICEE COc1ccc(N2CCN(CCCNC(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1540455667 MEIFMCMCSPKFKM-UHFFFAOYSA-N 426.477 0.158 30 10 ICEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)cc1 1540877621 ANVJHQHCBQYMOE-INIZCTEOSA-N 431.518 0.730 30 10 ICEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)c1 1552881348 WGYHLGLNGXVDRX-OAHLLOKOSA-N 432.506 0.449 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1555610323 YSCBZUMMAIZNNY-UHFFFAOYSA-N 427.509 0.943 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ncccc2C(F)(F)F)CC1 1564389267 NSGVTZWDCRWDAG-UHFFFAOYSA-N 435.428 0.274 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)s1 1567862617 PLFNFGLYTMCYHW-UHFFFAOYSA-N 429.564 0.851 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)CC1 1588198925 BRDOJIYZQUAGIK-UHFFFAOYSA-N 425.532 0.096 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1595561881 FSCDZZGTVMOOGQ-UHFFFAOYSA-N 437.508 0.280 30 10 ICEE NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)c1 1598209169 ZKLFBBPIDRYFKS-CQSZACIVSA-N 433.486 0.551 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)CC 1614079548 FPBGQYJYAROTEP-KRWDZBQOSA-N 425.493 0.922 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@H]2[C@@H](n3nnnc3-c3ccccc3)CO[C@@H]21 1616126197 FYZHDUZPKMHSBN-JFRXWTBNSA-N 438.469 0.898 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@](C)(C#N)C2)o1 1617895984 UPYSJICWTQMMER-SCLBCKFNSA-N 425.463 0.750 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1620158588 DDACHRJJASJOFA-INIZCTEOSA-N 428.518 0.953 30 10 ICEE COC(=O)C1([C@]2(O)CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CCC1 1636123433 PHFKLHSTIIGLEU-FQEVSTJZSA-N 435.502 0.422 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 1658321336 UDCDZVVMLRRVQZ-HNNXBMFYSA-N 446.551 0.275 30 10 ICEE N#Cc1ncn(CCNC(=O)N[C@H](CO)c2ccccc2I)n1 1682389005 JDXYGNBELCHORA-GFCCVEGCSA-N 426.218 0.787 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1683072733 AWCBAJVQUIUUQI-DOTOQJQBSA-N 430.509 0.984 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1690527575 PZLGOBOHBIAECM-IRXDYDNUSA-N 426.587 0.965 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705934107 BFNQJBRRQIBTPT-HNNXBMFYSA-N 436.582 0.545 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710701782 CIEHNXNBGMQFPC-RMYFCYLKSA-N 431.497 0.303 30 10 ICEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1710976068 GPVCGTOYMNUMPH-UHFFFAOYSA-N 445.549 0.767 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740951027 APRVZBDANXUGRX-KKUMJFAQSA-N 426.543 0.196 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1748191375 QJUVZFYFOYEKLG-DLBZAZTESA-N 437.504 0.970 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1748812182 RPFUHIXLCRVAGO-HNNXBMFYSA-N 426.506 0.452 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748818045 UWQAEUCTSGKXEQ-SJORKVTESA-N 431.518 0.861 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749225613 HFRCEWOAPHAMJV-DOTOQJQBSA-N 445.524 0.589 30 10 ICEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749421707 ZZXAACXZAIQUJS-UHFFFAOYSA-N 428.541 0.626 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1760116962 LTHAYIYWIUULPD-LSDHHAIUSA-N 440.570 0.231 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760174115 DPYJHHFTVSGTAP-JKSUJKDBSA-N 433.509 0.733 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1760180680 JKDRJDYXMBKACB-INIZCTEOSA-N 441.517 0.757 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760189091 NILUVUHWLGNZKE-DNVCBOLYSA-N 432.506 0.167 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761238028 HNWRWXRMRPDIJT-IAGOWNOFSA-N 446.556 0.088 30 10 ICEE CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1767787743 DYIRIKQBBVOFLY-UHFFFAOYSA-N 437.508 0.243 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H](O)C1 2076810337 FVQXEVFOMCLRNG-DNVFCKCGSA-N 444.532 0.956 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142559 WEFUHYXVPNAJDC-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC(=O)N2CCOCC2)CC1 27221742 UTKBGFADCXSUAR-HNNXBMFYSA-N 431.562 0.912 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1 105265516 HVYQAWMLDKWCME-UHFFFAOYSA-N 434.562 0.921 30 10 ICEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](N(C)S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409489789 BHWMWCIKWZWSTB-GVDBMIGSSA-N 448.615 0.445 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 513185899 YZINEOSBCXQPAR-SFHVURJKSA-N 426.583 0.417 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 514492336 PYCMPFIOJMUKDW-HIFRSBDPSA-N 433.555 0.804 30 10 ICEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCC(=O)NC1CC1 732707302 ZNYGZLJWKCIPOI-KRWDZBQOSA-N 441.488 0.490 30 10 ICEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 743908342 CQFADRRALNZHLC-KSSFIOAISA-N 441.488 0.505 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763434506 IVJVWADSFDJZSC-GOEBONIOSA-N 430.530 0.081 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)n1 788812756 CBNWZEWJHVAOCI-UHFFFAOYSA-N 433.509 0.571 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)n1 803259656 CDVXSHUNEOKLEQ-UHFFFAOYSA-N 430.490 0.346 30 10 ICEE COc1cccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)c1 1084572785 BJKRQVQVXDNRFR-UHFFFAOYSA-N 427.450 0.684 30 10 ICEE N#C[C@@]12CN(C(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)C[C@H]1CS(=O)(=O)C2 1178757500 SDXUHJNZNWNEJK-PXNSSMCTSA-N 447.538 0.905 30 10 ICEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1=O 1189391691 GRIVXXOSOMEEKG-UHFFFAOYSA-N 445.426 0.585 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286600079 JDQLICRKDFZDLU-KSSFIOAISA-N 426.543 0.340 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286769057 OPULRPCMTBHSAV-ZDUSSCGKSA-N 434.588 0.325 30 10 ICEE CCN1CCN(CCCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1296202501 DJVYRGPVHNPHMC-UHFFFAOYSA-N 440.600 0.854 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1300539091 XXACWGAROSDWSL-SFHVURJKSA-N 428.518 0.322 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCOCC3)CC2)CC1 1300682026 DIGYHSJGRZZGSU-LJQANCHMSA-N 432.569 0.622 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1300732304 AJAHXVPYLPVQFD-RLFYNMQTSA-N 443.595 0.639 30 10 ICEE COC1(OC)CCOC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1301157954 WPTGSYRXWDMDSS-SFHVURJKSA-N 437.518 0.853 30 10 ICEE C=CCNC(=O)Cn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301520617 JZLFDGGETPETCA-FQEVSTJZSA-N 430.513 0.541 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1301566709 BFAMPFSDTLNCLX-UHFFFAOYSA-N 447.521 0.195 30 10 ICEE Cn1ncnc1C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1308052476 PVTVGUMAPBNFQJ-LJQANCHMSA-N 441.511 0.647 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1316357940 XIPANIGXJDCWJD-UHFFFAOYSA-N 434.522 0.297 30 10 ICEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358923385 LSEAZDPBDHDMAM-UHFFFAOYSA-N 430.476 0.565 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358955707 RIWNDYRPFHNQDF-JKSUJKDBSA-N 446.533 0.977 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1359009896 BJJOHFIURLSOSB-CVEARBPZSA-N 425.555 0.886 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1359240346 LTWASEGSGRYFEX-IAGOWNOFSA-N 426.587 0.965 30 10 ICEE C#C[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C1CCOCC1 1477805764 SYXHLZJEWBBBDN-GFCCVEGCSA-N 436.314 0.639 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507635598 UERLAKPGBWKPPN-HPGBDJQBSA-N 435.575 0.659 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1507671095 GKROXXYHBIUHPY-QGZVFWFLSA-N 437.566 0.625 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508085805 HPEUTOSKSVZRSE-INIZCTEOSA-N 444.540 0.258 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1 1516183622 GGFGJJZXBWXTGP-OQKWZONESA-N 432.506 0.833 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1517336233 HJKXXMQCTKGEDJ-UHFFFAOYSA-N 434.522 0.629 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1539094714 UCWNUKCOEKYVKA-HNNXBMFYSA-N 434.522 0.857 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1539417086 XVQCYLUQXSCAJE-INIZCTEOSA-N 439.563 0.807 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539606458 FOCBPCYMKDIQRG-CYBMUJFWSA-N 438.330 0.865 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1584756782 UXHFLWXVQQZBEO-MOPGFXCFSA-N 430.553 0.839 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1587562524 QHGXPEHXTRLYDD-LSDHHAIUSA-N 428.522 0.975 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccco2)CC1 1588751806 NJWLCQJGKUKTRG-JOCHJYFZSA-N 442.520 0.708 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1588764624 AZRAAVZJYLMCKG-KRWDZBQOSA-N 436.530 0.605 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCO[C@H]2CCOC2)CC1 1588876859 LLTQQRBZOXBMPJ-UFYCRDLUSA-N 433.553 0.953 30 10 ICEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1594566278 DCKRTVGVMFKXCW-CQSZACIVSA-N 435.554 0.901 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1595603133 YQOYWAZFTPMDFK-IBGZPJMESA-N 441.554 0.246 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1620166003 KITWUTOPBJIHHT-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE CSc1ccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 1637515531 WVBMNIAUTGHHQW-GFCCVEGCSA-N 425.470 0.979 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccc3c(c2)OCCO3)CC1 1644284712 DAFXNVRWUIMZEV-UHFFFAOYSA-N 425.532 0.552 30 10 ICEE C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648707390 LBEDTESPKAGOFZ-FQEVSTJZSA-N 427.486 0.754 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1689852178 BODNYIFLNOWWPB-BRWVUGGUSA-N 426.587 0.799 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1690725210 IKXGYRRTWLMCFQ-GOSISDBHSA-N 447.561 0.729 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1706890413 NPIPLKPJSVDDLA-HOCLYGCPSA-N 438.554 0.824 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722726103 ZQCCRFDLJAJEGX-UHFFFAOYSA-N 439.563 0.628 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1731009975 GQZUSGYRYQAXIS-FUHWJXTLSA-N 441.517 0.827 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740623795 AXXZJCCDNNBKSZ-JXFKEZNVSA-N 435.550 0.596 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1740751478 KTNGPAVKMUYWSN-FPCVCCKLSA-N 440.570 0.536 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1748791288 RDSIUMDTTBULIL-OAHLLOKOSA-N 438.579 0.996 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749676742 BRZUWCDGRAUTHL-KRWDZBQOSA-N 447.561 0.997 30 10 ICEE Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751926943 UTPFAFBHYYNSBX-VHEBQXMUSA-N 442.524 0.841 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760556862 RWQFFAHRJSRJDA-MRXNPFEDSA-N 431.522 0.079 30 10 ICEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnc([N+](=O)[O-])n3C)CC2)CC1 1890084762 YBDWMDQZSYRNAB-UHFFFAOYSA-N 432.525 0.979 30 10 ICEE Cn1nc(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 2267113852 ZTVDBTRLGZKUID-ZSOGYDGISA-N 447.345 0.957 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2315539189 STEBALJAOTUACY-CHWSQXEVSA-N 436.318 0.741 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCN1CCOCC1 514522326 NURXHNGRDFPRHD-UHFFFAOYSA-N 447.586 0.036 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 532880611 GODPRPBKQAVPKO-UHFFFAOYSA-N 432.571 0.782 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cc2)CC1 612271208 KZLJVCJROAQLJG-HXUWFJFHSA-N 433.534 0.713 30 10 ICEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2nnnn2C)C1=O 771539152 BMCFGILTNSRGKQ-INIZCTEOSA-N 444.565 0.842 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1 811961300 OUKYEMVWVPMYDJ-QGZVFWFLSA-N 426.926 0.919 30 10 ICEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCC[C@@H]1C#N 1196831696 MXKQMAFETVDTAG-AEFFLSMTSA-N 448.545 0.915 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286311879 NHFZXOLXCDEKMB-UHFFFAOYSA-N 429.569 0.964 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)C)C1 1286816173 CPYPPGSDOTUOAX-CABCVRRESA-N 433.600 0.971 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286874648 ASDZSTUCMFZYMX-ZZEZOPTASA-N 438.492 0.479 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 1309802708 XUGODLGSCZRAGY-UHFFFAOYSA-N 430.310 0.906 30 10 ICEE CS(=O)(=O)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316351345 LZYXCUMKFATLSE-RDJZCZTQSA-N 438.554 0.020 30 10 ICEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1320107246 LPKICCPYKHQGIS-OAHLLOKOSA-N 426.454 0.776 30 10 ICEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1502128856 JVHRNSCRTLRDEY-TUPYQCFKSA-N 443.508 0.761 30 10 ICEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1507854193 LGRQGRITWNQSOE-UHFFFAOYSA-N 427.937 0.053 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1516838483 ORDBMSUYLVXGCU-HNNXBMFYSA-N 444.583 0.250 30 10 ICEE CNC(=O)NC[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1558055930 IAZMFFYGJCKGJW-FMPZLKCCSA-N 435.525 0.930 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)CC1 1568701290 LHNGFQSFPJPSLP-UHFFFAOYSA-N 432.525 0.859 30 10 ICEE N#Cc1cn(CCC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c(=O)nc1O 1627734773 DBOSSMWADQXZIC-UHFFFAOYSA-N 430.509 0.051 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)ccc2c1=O 1636571235 ILIXOUYEORLORY-CYBMUJFWSA-N 437.547 0.659 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1S(=O)(=O)NCC#N 1636786910 IKWAMZQHBIIEHP-GOSISDBHSA-N 425.532 0.838 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1690025549 VUENHPXWOYXADS-JOCHJYFZSA-N 442.589 0.681 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1690672441 RRXHLEMIBOFSBM-PMPSAXMXSA-N 440.570 0.538 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)NC)C1 1690685183 XFPATZVORFWCOZ-CQSZACIVSA-N 435.510 0.256 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722368496 RCRQFWDECLSCMY-INIZCTEOSA-N 428.580 0.997 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1722396202 GQAGLGFMHNYSQJ-FHWLQOOXSA-N 449.577 0.889 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722700455 JZRNIBYYALPMGO-INIZCTEOSA-N 436.520 0.911 30 10 ICEE Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1724970356 GIJGSYYFBDGASE-JKSUJKDBSA-N 436.542 0.555 30 10 ICEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1740906060 FCWISZZAPKKYDD-IBGZPJMESA-N 425.555 0.901 30 10 ICEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1747649520 BDONJMYTGLLVIM-MGPWXQLLSA-N 434.522 0.380 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1748643873 YYRQLJFKGIIYQQ-APWZRJJASA-N 425.555 0.812 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1748956861 MFSQIIPKZPVABE-FQEVSTJZSA-N 448.501 0.309 30 10 ICEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749756396 XZKALQZEODSJKT-INIZCTEOSA-N 436.582 0.874 30 10 ICEE CC(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750046867 CGMLXJDBODKCRY-LJQANCHMSA-N 425.541 0.843 30 10 ICEE CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1760585841 DQJFJNJXVCJNOB-KBPBESRZSA-N 425.559 0.743 30 10 ICEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1760844397 OFDQGTTUAIKDCU-HNNXBMFYSA-N 426.481 0.816 30 10 ICEE CCNC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767240356 ULVJZKADYZCBPK-VHEBQXMUSA-N 444.540 0.855 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770358984 OTSHSQCIGQQUFS-RDJZCZTQSA-N 437.570 0.288 30 10 ICEE C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)[C@H]1CCN(C)C1=O 1849240502 XJGQRHGIENLDEW-SFHVURJKSA-N 449.511 0.946 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)CC1=O 1854503807 OKSYZYNMMRRHPU-DLBZAZTESA-N 437.562 0.439 30 10 ICEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870476193 GWHKTRWPGSMCBL-UHFFFAOYSA-N 437.493 0.877 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)[C@H]1c1ccc(C#N)cc1 1889307439 CKBNZWJNTNWEJZ-ATLSCFEFSA-N 426.498 0.683 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256064007 XZAICWTYRAGYLV-STQMWFEESA-N 434.302 0.798 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2258304213 YCSXAZCYHKWITR-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE COc1ccc(C(=O)C=C2N=C(NS(=O)(=O)c3ccc(N)cc3)NC2=O)cc1OC 2297508291 PJHDVNDDFMPNEE-UHFFFAOYSA-N 430.442 0.817 30 10 ICEE CN1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C#N)c(=O)[nH]2)CC1 223969308 CCGPAEQUYQTMAW-UHFFFAOYSA-N 444.517 0.081 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](NC(N)=O)C3)nnc12 477467669 XWWXFESRQKYUTE-GFCCVEGCSA-N 427.490 0.592 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 520040671 XVHJHSQBGNGSQW-NRFANRHFSA-N 435.528 0.869 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 532362500 SVFBMJUMPGJXAK-UHFFFAOYSA-N 433.493 0.453 30 10 ICEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549699678 VVZSVKPVIITLRZ-SFHVURJKSA-N 436.557 0.559 30 10 ICEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)s1 736581447 FRKBGMQLSXDAGD-AWEZNQCLSA-N 430.555 0.944 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@@H]1CCCO1 736587140 KVOQMZXZQDGWMG-AWEZNQCLSA-N 430.555 0.967 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 747337239 NRDCCSLGFWUREC-SJLPKXTDSA-N 430.530 0.679 30 10 ICEE CCc1c(C(=O)OCC(=O)Nc2sccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 754350494 IPRAIKCMLAGTPG-UHFFFAOYSA-N 427.442 0.923 30 10 ICEE C[C@H](O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 817229394 FNGPPABFSBIYGW-UGSOOPFHSA-N 431.470 0.334 30 10 ICEE CN1C(=O)CO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1cccnc1 1153865515 GUZDYPZANQKBFJ-ONIAQPFYSA-N 429.477 0.855 30 10 ICEE C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 1168910740 FDHWQMHHDUJLIG-CYBMUJFWSA-N 428.536 0.255 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)CC1 1218746817 GIMRPVMYEMIBSF-MRXNPFEDSA-N 448.505 0.139 30 10 ICEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1298047070 HGYXKFJRERLWED-MAUKXSAKSA-N 440.545 0.733 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300496715 UHJLYIPZWUJRGX-IHULAWBXSA-N 428.580 0.915 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1301425420 VHZOFQNQFGCCAT-HUUCEWRRSA-N 425.555 0.734 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1 1312583779 NPOHTOJMWQJQHM-MDZDMXLPSA-N 433.534 0.001 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1315027921 VQYWPVACIKDHTJ-ZZEZOPTASA-N 440.508 0.772 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)F)CC1 1359043561 YYPHCRPZJWYTSI-UHFFFAOYSA-N 431.447 0.687 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC(F)(F)CO2)CC1 1359044846 PVUCJJLXZNKMRK-HUUCEWRRSA-N 436.463 0.619 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C2CC2)CC1 1359045372 FGLDLIQJXNPCJL-ROUUACIJSA-N 449.577 0.571 30 10 ICEE C=C(C)COCCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359126049 CORJABWKDNBJDH-UHFFFAOYSA-N 432.529 0.461 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1=O 1461669679 NTAFLHPGQYJPSV-ZDUSSCGKSA-N 436.465 0.248 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1507535402 YEPDAPZBCXTOGF-CYBMUJFWSA-N 429.506 0.199 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1507651636 ABCGNUDTWCSQML-SFHVURJKSA-N 429.502 0.438 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1507703666 ZGVMVIXTAFMOAY-UHFFFAOYSA-N 433.534 0.954 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508130460 ICRZXNNAVLBIFZ-SFHVURJKSA-N 440.526 0.048 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1517354360 UHUBTYGIMZGGFA-ORQRPPJRSA-N 429.481 0.371 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)CC)CC1 1539434306 HSZKGWVIEMEMKV-UHFFFAOYSA-N 444.561 0.582 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(CS(C)(=O)=O)CC3)CC2)c1C#N 1543001826 DQZSGHJPYFIIJY-UHFFFAOYSA-N 432.554 0.652 30 10 ICEE CNC(=O)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccc(F)cc1C 1564978492 WMFYYORTSBPQQN-FTRWYGJKSA-N 436.509 0.619 30 10 ICEE COCCCS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1566345094 QNIWFHKATWTILL-UHFFFAOYSA-N 447.510 0.247 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1587705483 FBSQTAHVZCPJRM-HNNXBMFYSA-N 446.599 0.164 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1594824837 RAHKHGMVCVGZPF-UHFFFAOYSA-N 427.509 0.650 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1615973511 UAOVDFSMHAUFGJ-SJORKVTESA-N 443.533 0.613 30 10 ICEE N#Cc1cn(CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(=O)nc1O 1633550695 XUDWLPLOUGBITC-AWEZNQCLSA-N 446.261 0.752 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)CC1 1661770884 LHZPVFQZJMVVHB-UHFFFAOYSA-N 435.546 0.583 30 10 ICEE C#CC1(O)CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1687571552 FTJZIKHVNZLHAS-HNNXBMFYSA-N 429.539 0.580 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCS(C)(=O)=O)CC1 1690113930 YFHRNCGPGUGVFQ-LJQANCHMSA-N 425.555 0.120 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCCC2)CC1 1690134682 BBISATRZYQXNDK-ROUUACIJSA-N 430.553 0.803 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690669891 ROKLEMSOMNYNEO-CHWSQXEVSA-N 429.447 0.604 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690742134 HONOIOXKVVUPHS-GDBMZVCRSA-N 447.565 0.915 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1690746904 MZJBDLYDQPUDHF-CQSZACIVSA-N 449.624 0.099 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722462337 MEINFKRPFFGZKQ-MSOLQXFVSA-N 432.594 0.924 30 10 ICEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722604253 WRFMDJDRNCIYRX-ARFHVFGLSA-N 426.539 0.897 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1740600509 LVGSUAIZLNWGJQ-ZDUSSCGKSA-N 425.536 0.410 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)CC1 1740696199 OCFUHFPGPMWBIC-HJWYETAXSA-N 439.607 0.237 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)F)CC1 1740702451 PKQVTLBRCAUWKE-NSHDSACASA-N 436.460 0.416 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740716697 WZFHDGGMYOOBSQ-KGLIPLIRSA-N 426.568 0.114 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1740717309 OSXGGDDRCWQZMB-KRWDZBQOSA-N 441.623 0.705 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740788816 XUUTVJAKQNKWTB-KDOFPFPSSA-N 442.542 0.512 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740958966 HYQJZSLYWZSVHB-UHFFFAOYSA-N 441.540 0.028 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1748206835 GWPFIRQYUWQKRI-RTBURBONSA-N 440.504 0.964 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNS(C)(=O)=O 1749482890 PVQPSYMSKTWNQU-UHFFFAOYSA-N 441.583 0.800 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750009532 VHIDUKDISCSTBG-PMPSAXMXSA-N 442.542 0.012 30 10 ICEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1750330337 BAOLSTZVIGUKKY-KBPBESRZSA-N 430.556 0.093 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1760111716 RRSBMOHHBFQOJJ-CQSZACIVSA-N 443.533 0.589 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760188755 MIXRLWDCGCLBTN-XYJFISCASA-N 433.534 0.951 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760210586 UEUCVVVRIVTQSS-QKLQHJQFSA-N 435.550 0.689 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760382384 PBECLPIYSMMTTR-CABCVRRESA-N 431.584 0.870 30 10 ICEE CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1766746982 HBGZSRNQVWRGDX-RKXCMPKHSA-N 442.549 0.591 30 10 ICEE C=CCN1CC[C@H](N2CCN(C(=O)Cn3nc(-c4cccs4)ccc3=O)C(=O)C2)C1 1853740884 FUGKOUJWPYMOHP-INIZCTEOSA-N 427.530 0.903 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C1=O 1854241935 SHXJFLXODUKRSL-QZTJIDSGSA-N 433.530 0.697 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CCc3ccc(F)cc3F)C(=O)C2)C1 1856919726 VJMIFBATLPJZMB-MRXNPFEDSA-N 440.472 0.496 30 10 ICEE C=C(Br)CS(=O)(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 2006232045 SDZGPUREWVHTAP-AWEZNQCLSA-N 429.333 0.813 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267876624 OHKGFCYIYRKDRU-UONOGXRCSA-N 448.329 0.876 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 105361582 YWHKEMMOZZSYSJ-UHFFFAOYSA-N 428.942 0.455 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(Cn3cccn3)on2)CC1 427988593 DJZCBRRKLXRNMZ-UHFFFAOYSA-N 426.458 0.938 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 435791575 PLCMVGJFMDMPEW-UHFFFAOYSA-N 443.595 0.273 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 603798177 KBCSVTLCWHBLOB-KRWDZBQOSA-N 442.541 0.530 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 623010674 TZMOJBXJERFHJT-UHFFFAOYSA-N 425.510 0.879 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763387312 GUGMUIXUSCVUMQ-ISLYRVAYSA-N 436.465 0.866 30 10 ICEE C#CCN(C(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 807566562 XXOVAPUSCCUCGV-YNEHKIRRSA-N 427.552 0.896 30 10 ICEE COc1ccc([C@H]2[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC(=O)N2C)cc1 1159490673 SYAPBLIKVJCMOY-HKUYNNGSSA-N 437.456 0.822 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1300286720 NFWWGYVGHNMNIA-HNNXBMFYSA-N 441.521 0.414 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1301424926 PRJWCEVLIDLXFF-CQSZACIVSA-N 432.568 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301503201 VSBFGQNFAURWHM-IAGOWNOFSA-N 442.476 0.044 30 10 ICEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 1319283439 GENWFXIIUIUZRP-YDZSLHHISA-N 430.465 0.374 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1352617970 BJYZQFHUYDSUNS-KRWDZBQOSA-N 437.518 0.762 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359331276 TYBHOPGNKICYHZ-UHFFFAOYSA-N 433.538 0.386 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCOC1 1359335053 YPXZXCDFEKSVEC-INIZCTEOSA-N 425.555 0.864 30 10 ICEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1452864131 SHEWCCOMWGIKNU-LBPRGKRZSA-N 433.324 0.878 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](Cc4nn[nH]n4)C3)CC2)cc1 1455745289 RFAQCKTTYNLRJS-INIZCTEOSA-N 443.533 0.953 30 10 ICEE CC(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1F 1463162693 FKNCWRJEPOXZDY-SUMWQHHRSA-N 429.495 0.523 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1503839874 RAVYCFGDKQWBJL-HUUCEWRRSA-N 434.522 0.892 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507710056 BZYFSWWHRJGNQG-HNNXBMFYSA-N 435.554 0.661 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508096780 KBIJTQRITDQSTC-CVYDXHPNSA-N 432.525 0.267 30 10 ICEE N#CCNC(=O)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1525371968 ACWNXPYSUJEVLU-ZFWWWQNUSA-N 442.335 0.798 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1 1563664004 ICHBBLVYLIYVIJ-UHFFFAOYSA-N 445.427 0.043 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@@H]2C)CC1 1588864915 LSTFDYQOJOYPPO-FQEVSTJZSA-N 426.569 0.616 30 10 ICEE CN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1617615819 GBGPCYRFIXASMN-HUUCEWRRSA-N 449.512 0.403 30 10 ICEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 1618708121 MLPFBOANUIZWKC-HNNXBMFYSA-N 433.509 0.715 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619620832 YNQHVCLAEWGPQZ-CVEARBPZSA-N 428.472 0.807 30 10 ICEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1619782768 IDXZRMAYTWCZFY-HUUCEWRRSA-N 426.543 0.824 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C(OC)OC)CC2)s1 1629023441 HKXYUVPYNKAJOU-UHFFFAOYSA-N 431.536 0.045 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1 1644234008 GZFBAMWIDVOJLK-UHFFFAOYSA-N 435.527 0.997 30 10 ICEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1685124916 DCZXYGVERKRUPF-KRWDZBQOSA-N 427.548 0.410 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1689853677 XFKCLVIHMQBXAB-CXAGYDPISA-N 436.538 0.916 30 10 ICEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690309864 MHYQIHVEJBUYIS-INIZCTEOSA-N 446.508 0.940 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCOCC1 1692780317 DNUYIIIRFBDUQG-RDTXWAMCSA-N 444.533 0.916 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1695502311 YCHIMODGNFFKRQ-UHFFFAOYSA-N 434.508 0.750 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705639387 MXMXKSZTJKYAGG-ROUUACIJSA-N 446.577 0.831 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 1705648144 OPUBTCJGFMFYOM-ROUUACIJSA-N 449.577 0.715 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1705958926 NFKXCKMUTPPUKB-ZFWWWQNUSA-N 449.537 0.706 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC)CC1 1722434168 LNXVGBCDKGWSSO-UHFFFAOYSA-N 433.494 0.158 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722692531 PTOUBEVRIGAVKJ-HNNXBMFYSA-N 438.554 0.220 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1729680466 FEYHACRFTHESRS-XXHMAFKTSA-N 426.477 0.308 30 10 ICEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740574665 KHQXUOKIVQLGEE-UHFFFAOYSA-N 434.508 0.403 30 10 ICEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1740616034 QIQLVLFEXWFYOA-OKILXGFUSA-N 426.543 0.667 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740619481 PDPAMLHLMGUFDQ-YWZLYKJASA-N 431.518 0.952 30 10 ICEE CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1745286959 FXICZYXRBVMABO-HUUCEWRRSA-N 428.559 0.948 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1748812528 VPNZMKKFICMWDX-INIZCTEOSA-N 449.558 0.568 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1748928880 AGYOWPKMBLFKJN-NQIIRXRSSA-N 447.561 0.978 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1OC 1749053192 CNYFYRJMNWOIAA-YIOZNXECSA-N 425.555 0.932 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CCN1S(C)(=O)=O 1750349945 FVQZGSDEEJEFGX-AWEZNQCLSA-N 441.521 0.464 30 10 ICEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1760223491 GJYNVEVAIWCRNM-UHFFFAOYSA-N 440.529 0.591 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760512151 JAXOGMJULBSLGR-HKUYNNGSSA-N 429.569 0.965 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760556960 VJFJCLRZVKEAKG-QGZVFWFLSA-N 432.550 0.827 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1761234205 HAOGKUIECCYULH-UHFFFAOYSA-N 442.524 0.409 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1762294883 RRYDXKBWYACGKQ-CEXWTWQISA-N 445.568 0.913 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1770336768 TVZJPWCOUBHMNP-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCOCC2)C1 1770726357 DYXGQMFBEFTRAH-HXUWFJFHSA-N 442.455 0.616 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CC1 1772564572 CMNQHQKLMPDYDI-MRXNPFEDSA-N 440.570 0.098 30 10 ICEE C=CCN1C[C@H](C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)CC1=O 1850960117 YGVSGDXOLJOQRN-CQSZACIVSA-N 430.486 0.777 30 10 ICEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)OC1(C)C 2312856591 CLMXRUHJYVNRLV-NNYUYHANSA-N 433.236 0.850 30 10 ICEE O=C(O)COc1ccccc1/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 33960860 JXMDFPAOSYRHPI-FYJGNVAPSA-N 443.464 0.454 30 10 ICEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(CCO)CC3)C2=O)cc1 96573438 UTAKZCJWSKLUEB-QFIPXVFZSA-N 430.505 0.545 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 440053292 MJLOUQRODFTRAV-IBGZPJMESA-N 440.591 0.870 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 514492250 VXQONASDLNNSMU-WBVHZDCISA-N 427.526 0.743 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 538916960 JSNLLHAGSPEKEC-XLIONFOSSA-N 434.518 0.912 30 10 ICEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549249829 KRRUSGWIDKJYOT-UHFFFAOYSA-N 447.565 0.924 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554094959 ZQBJYSVGDPDGMV-QZTJIDSGSA-N 448.549 0.229 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 603797168 BHUJPLJTWLUGCR-KRWDZBQOSA-N 442.541 0.530 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 816923382 GOXPDPDKJJDLKA-JWHUVLAVSA-N 438.456 0.605 30 10 ICEE COc1ccnc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 918334335 RJVKRFCATXPNTK-UHFFFAOYSA-N 430.490 0.263 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1286297910 YWXUROURKOJSOO-AEFFLSMTSA-N 449.581 0.973 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286489874 GWEYJGJRIQXDFH-BTYIYWSLSA-N 425.493 0.241 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@H]2C)CC1 1286493432 AUCAWHJYXABSKD-IEBWSBKVSA-N 430.553 0.816 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1286831451 GAHLJCGLNCHZPJ-GJZGRUSLSA-N 431.584 0.755 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1300491467 HUOGPLVSIBALNT-CABCVRRESA-N 425.580 0.998 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300509621 QKQIRMJWAOLQGU-OAHLLOKOSA-N 428.518 0.968 30 10 ICEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1302124840 VRCPYIWWMYIRJM-DNVCBOLYSA-N 436.488 0.883 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3c(C)nn(CC=C)c3C)[nH]n2)CC1 1302921450 DQQZNAPSFKCWRG-UHFFFAOYSA-N 431.522 0.301 30 10 ICEE CSC[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1349455357 AGVWJFINNRDKGW-GUTXKFCHSA-N 446.533 0.963 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959742 PBAAIKXZQYFZHI-GHTZIAJQSA-N 441.513 0.595 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358962227 MKOTYYRTMSDFSG-KGLIPLIRSA-N 449.562 0.259 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359049740 VLFKNLAYVOTIGT-LSDHHAIUSA-N 440.595 0.456 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)CC1 1359179244 PIHGKWRUTNEUSC-HNNXBMFYSA-N 431.584 0.522 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359332026 MSSRZHUINWRZLH-JKSUJKDBSA-N 438.554 0.183 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1CS(N)(=O)=O 1460857348 BXSBOCQKTJDTAM-OWCLPIDISA-N 425.580 0.313 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1462869856 DSUMBBBWPCODEY-GFCCVEGCSA-N 429.472 0.071 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3OC)c2CC)CC1 1471450645 FYGQVRAEVKTSAL-UHFFFAOYSA-N 431.518 0.669 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1 1471451387 RQCKDEOSSJUMCW-UHFFFAOYSA-N 446.533 0.588 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507540418 DXCXCEQHOSQGAO-MSOLQXFVSA-N 429.569 0.801 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1507669732 QOEZXRRIMVRVEN-MOPGFXCFSA-N 431.562 0.902 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1507791006 GPFQGOZKAORYCS-IEBWSBKVSA-N 446.552 0.790 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1539211901 QAERVQRZHOZWLX-MGPUTAFESA-N 428.518 0.445 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540861779 GKXKOTVMCQQYCU-INIZCTEOSA-N 426.525 0.619 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540873828 LGMRUXHQTGMTLE-OAHLLOKOSA-N 438.554 0.106 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)C1 1557332376 XUJZYHLNIKEEGO-LPRCSBTHSA-N 426.539 0.923 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1588029711 KXCSPLUFVKXVLK-CABCVRRESA-N 445.611 0.951 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588035921 ZLCMWHILHBQLTD-JKSUJKDBSA-N 437.522 0.974 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595496944 LWNPIIBTTGDUBN-CQSZACIVSA-N 446.533 0.318 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1cccc(Br)c1 1631858243 KGZMAHKBHFQLTC-LBPRGKRZSA-N 425.264 0.999 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690146284 KAVDOPBLIYMFHV-QGZVFWFLSA-N 449.577 0.573 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690677226 RKSJVEUZADGNQN-QFIPXVFZSA-N 448.568 0.927 30 10 ICEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1693871356 HWULAEQDEMHNSY-QRWLVFNGSA-N 446.533 0.438 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705497461 BCSQYENXVLLUOQ-MGPUTAFESA-N 428.518 0.524 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1705552519 ZHYAWHLRUGVEHP-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1705568804 VMFJDXVGSVVEGZ-IAGOWNOFSA-N 437.566 0.842 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1705599519 ZZIHNDZUHVOBPR-HZPDHXFCSA-N 425.580 0.825 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705781071 OUPZJLLVEOAYMO-UKRRQHHQSA-N 431.584 0.725 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705890933 QFAQKJYSZWMICD-VQIMIIECSA-N 440.570 0.098 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706587943 UGLCUUBSXXWAMG-OHTQGHCMSA-N 431.497 0.415 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722358027 CNKZINWRFPIWSY-FOIQADDNSA-N 449.533 0.544 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1722397422 QFGICOHSUDQXGL-IBGZPJMESA-N 443.529 0.828 30 10 ICEE O=C1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1731226262 OYKAYZRUFDBIFM-ISLYRVAYSA-N 427.490 0.393 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740615524 GMPZKHUMTSBFNA-LAUBAEHRSA-N 449.577 0.956 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1740618223 FGEPRSRYXLULOL-OXJNMPFZSA-N 433.534 0.540 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740709515 OGSBQUVNLJDJDJ-KBPBESRZSA-N 428.584 0.312 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1741131199 DVPTYTOSWNCQRQ-RHSMWYFYSA-N 425.493 0.641 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1748640860 XOUPLDKPJTVEJX-HUUCEWRRSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)nc1)[C@H]1CCS(=O)(=O)C1 1760181179 QRAIKZVZNWHUMM-SFHVURJKSA-N 430.534 0.493 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(CC)CC1 1760225469 QFSBNUCNASPKIC-IAGOWNOFSA-N 425.603 0.374 30 10 ICEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1760471387 UMFNNGCDAUVHKG-KBPBESRZSA-N 431.584 0.868 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1760495880 YZGGEPHSOFLMRY-VQIMIIECSA-N 441.554 0.595 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCOC(C)(C)C3)CC2)c1C#N 1762399832 FBTDMXOQCMTHAP-UHFFFAOYSA-N 427.557 0.938 30 10 ICEE CO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1770283500 NRAQTAXTWCTZKQ-HOCLYGCPSA-N 436.494 0.349 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2=O)CC1=O 1853844041 MRPCSAYBWPNLSX-OAHLLOKOSA-N 435.502 0.479 30 10 ICEE CN(C)c1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443823 KMXPUOBEJUULIT-CVEARBPZSA-N 435.488 0.761 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@@H]2[C@H]1[C@@H](O)C(=O)C(C(N)=O)=C(O)[C@@H]1N(C)C 169289814 DRKMHDAKULCOKQ-XAMZUMDUSA-N 442.424 0.558 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 254739276 ZRIHAYQPBLIOFX-SMDDNHRTSA-N 426.472 0.877 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460807078 YRDLQNHKGTXKIE-HOCLYGCPSA-N 426.543 0.244 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508919311 HCWOARGGXMUYNL-KXBFYZLASA-N 441.554 0.571 30 10 ICEE CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cn(C)nn1 543846367 FWDNJIXAGJPHKO-UHFFFAOYSA-N 431.522 0.042 30 10 ICEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 546201963 FXSCZJOQVLPXAY-UHFFFAOYSA-N 439.476 0.735 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ncn(C)n2)cn1 780322075 GNIBBYSHTVYXKR-ZFWWWQNUSA-N 447.569 0.792 30 10 ICEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 785528008 NQPQLYVGPQCKDU-UHFFFAOYSA-N 438.506 0.997 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 801516360 DMTAGGOHFFXGDR-MSUUIHNZSA-N 444.872 0.790 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 804690508 YIMUMVAUPYNVDH-AWEZNQCLSA-N 442.563 0.436 30 10 ICEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1134429195 RTLOGJIQQICZCC-QFBILLFUSA-N 439.559 0.915 30 10 ICEE CN(Cc1cc(C#N)cs1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1157478757 YWPNPNOWXLXNQS-UHFFFAOYSA-N 427.529 0.960 30 10 ICEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NC1CCN(S(C)(=O)=O)CC1 1165958170 ALALMXDXGDCDTE-UHFFFAOYSA-N 431.312 0.331 30 10 ICEE C#CCn1cc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)cn1 1192327350 BTLLILPAMQTWBV-RTBURBONSA-N 432.502 0.972 30 10 ICEE C#CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1291929976 WQQWNFZJLMOZFQ-LSDHHAIUSA-N 448.563 0.060 30 10 ICEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNS(C)(=O)=O 1300438658 QZXUXIDCQJHWEK-UHFFFAOYSA-N 439.567 0.165 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1300695679 FXEUSOGXINUGPJ-VZCXRCSSSA-N 434.504 0.565 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1301510209 URASWKRXYRFWLU-QFIPXVFZSA-N 442.495 0.940 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1314852731 MSXMCESZLKZAKT-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C(N)=O)CCOCC2)CC1 1359029690 FHPNAFZPEARCGP-QGZVFWFLSA-N 434.541 0.039 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359341655 DCYOPNRWRUAGDI-HUUCEWRRSA-N 442.611 0.914 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2nc(C)no2)CC1 1455115002 KCWWGJDPPPPEAL-UHFFFAOYSA-N 435.531 0.896 30 10 ICEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1462991455 WQXAKBKLCHCUKC-SJCJKPOMSA-N 429.495 0.523 30 10 ICEE C#C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1472630874 KTBDCBCBNHAXPK-MRXNPFEDSA-N 439.559 0.749 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507723685 QMTBNIDRGIOJSO-SFHVURJKSA-N 428.585 0.010 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC)C1 1508142387 CUTKQDCFMJWURW-KRWDZBQOSA-N 438.554 0.592 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1540897929 VWGZWPSOBCOOOD-HUUCEWRRSA-N 449.599 0.350 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1541071271 PEZLRMGBZLLEMX-DVEDPGPFSA-N 445.524 0.443 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1541071273 PEZLRMGBZLLEMX-HEWTWTGNSA-N 445.524 0.443 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1541911645 UTJWLERRKLQUGM-VLIAUNLRSA-N 445.549 0.875 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1555988988 VOOFQIWOZAMNRO-RBUKOAKNSA-N 440.504 0.827 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 1558842715 VWAFETPBOVMZMD-INIZCTEOSA-N 437.518 0.652 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 1559717305 IXGYMGIMCIZLKZ-UHFFFAOYSA-N 440.522 0.126 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1 1561667927 JWYUXDQZDNKXHB-UHFFFAOYSA-N 428.352 0.954 30 10 ICEE C#CC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 1561764534 ASVXNHDBPKXADX-UHFFFAOYSA-N 428.308 0.788 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 1588742713 ULOPNCCGFLJSPJ-GOSISDBHSA-N 448.597 0.547 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@H]2C)CC1 1588864916 LSTFDYQOJOYPPO-HXUWFJFHSA-N 426.569 0.616 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1589070033 QCNIAYRKMHDWCY-PBHICJAKSA-N 442.542 0.419 30 10 ICEE CNC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1597928385 JMLHMRHNBCYHOG-UHFFFAOYSA-N 434.518 0.370 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(=O)n1CCO 1614868767 FSLCWYRFJSOCLD-UHFFFAOYSA-N 439.472 0.060 30 10 ICEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)C2)nc1 1641702318 HJSBVGCDYPHFDC-ROUUACIJSA-N 439.447 0.675 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc2c(c1)OCCO2 1642134953 HRNFTJUVPRGDMO-UHFFFAOYSA-N 444.469 0.641 30 10 ICEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1667039345 FAQYDRSICZKBDH-HNNXBMFYSA-N 441.531 0.144 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690013296 JLLRXGULJJCUGP-UHFFFAOYSA-N 441.495 0.985 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1690047656 WEGJZGSUYBOCFW-LJQANCHMSA-N 443.529 0.828 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690299085 DKNORUCDGYFUCG-UHFFFAOYSA-N 447.584 0.753 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690828400 HVZDNXFEKSCRGH-KDDVOAFDSA-N 443.508 0.715 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1696913676 IBIZYGQXSFEHFH-AOMKIAJQSA-N 441.536 0.614 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1705550959 CKMDLYZBJRFCIX-INIZCTEOSA-N 438.554 0.083 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722491197 IMXTUAHFLQPZDI-GVRJEKJASA-N 427.527 0.431 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1722728063 SYMQEXCDUZTFLL-DLBZAZTESA-N 436.582 0.895 30 10 ICEE C[C@@H]1N(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1726762993 VFFJFKQNRVYRNI-SGOHWPKCSA-N 443.508 0.759 30 10 ICEE CCS(=O)(=O)NCCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1729228752 UTWBSKWECBELDS-IBGZPJMESA-N 440.570 0.998 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740548492 GTRIURVCTMWNAW-RBZFPXEDSA-N 442.501 0.601 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740627356 PQEIBQJFBRJFOO-CVEARBPZSA-N 444.579 0.234 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)CC1 1740691326 ZHADHBHWLOXZNT-QGZVFWFLSA-N 438.598 0.729 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2n[nH]c(C)n2)CC1 1740699541 KXZDLXSFKQURDM-UHFFFAOYSA-N 439.549 0.694 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1748951489 WIUPAJMLQHDDBA-JKSUJKDBSA-N 435.554 0.433 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)CC1 1748990493 XSUVCRCQWDRBKR-UZLBHIALSA-N 433.534 0.436 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C2CC2)CC1 1749001588 XIJFTVFFPDACFC-QFIPXVFZSA-N 428.537 0.641 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749128803 ZVGSNAYGISYRMX-XLIONFOSSA-N 440.552 0.927 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncn(C)n2)CC1 1760266257 UGNQNENAVSFEND-HNNXBMFYSA-N 430.513 0.145 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)CC1 1760268622 MVKJHDFGZRWXBU-UHFFFAOYSA-N 432.435 0.082 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760520984 GQJXNDBSVCNOHL-QGZVFWFLSA-N 443.552 0.903 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760698324 GTEGSDJMSVUERJ-QZTJIDSGSA-N 444.584 0.939 30 10 ICEE C=CCN([C@H]1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1=O)[C@@H]1CCN(C)C1=O 1854195267 ZGOOEMIBWHKQAV-CVEARBPZSA-N 432.912 0.412 30 10 ICEE C=CCN([C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854241140 JYQQHLCAEURINZ-SJORKVTESA-N 437.493 0.446 30 10 ICEE CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CN(c2nccnc2C#N)C1 1891916366 AAVSPZUMSUGATD-UHFFFAOYSA-N 442.501 0.330 30 10 ICEE Cn1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623341 LVOJJSTXGCNMAM-ZIAGYGMSSA-N 436.318 0.741 30 10 ICEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1nccs1 248027386 WQVJVNSXLAYAIR-LYKCQVCGSA-N 440.437 0.996 30 10 ICEE CCNC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 487512231 YZWOGHRIZKBFFU-UHFFFAOYSA-N 433.534 0.881 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 508824932 CXLXWNXHRMSHAY-HZPDHXFCSA-N 441.554 0.571 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 508914979 VNUUGWNKNQLGSX-OAHLLOKOSA-N 443.595 0.899 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671040 BRBCKZSWUASZCE-MRXNPFEDSA-N 437.525 0.766 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nc2)CCN1C1CC1 732651974 LMZLLBJJSUIJDE-WOJBJXKFSA-N 433.516 0.706 30 10 ICEE N#Cc1cccc(N2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)n1 760912590 ZWMMLBHMGPVMLC-UHFFFAOYSA-N 425.493 0.751 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCn2cnc(C#N)n2)C1=O 795183189 NGSBPWQPMUHGAA-CQSZACIVSA-N 446.562 0.911 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)C1 807109559 JPLVZTZTSQTNAC-KKUMJFAQSA-N 429.543 0.859 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1 1142418671 IEKZXKYBORQZLZ-UHFFFAOYSA-N 437.518 0.700 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H]12 1225936878 GMPSXHJKUWHVSA-KHMAMNHCSA-N 428.511 0.199 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1286778679 CVZSTEGDXZCWDR-CQSZACIVSA-N 426.543 0.340 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1286823689 PTXASPNAYXAQIF-UKRRQHHQSA-N 430.600 0.912 30 10 ICEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1287127886 XXMDURLYGXUMTL-CXAGYDPISA-N 429.522 0.493 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H]2C)CC1 1300711125 SUUKIHFCXVPLKI-KRWDZBQOSA-N 429.569 0.866 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301253173 WCZRPSFDETUVSD-HUUCEWRRSA-N 431.497 0.295 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301567366 HTBDTEPZFIUZOV-OLZOCXBDSA-N 427.483 0.131 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1301959244 FNCAYGDUGNIGSU-BFUOFWGJSA-N 433.490 0.819 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)CCOC1 1303476970 JYNIHQCABZWYDE-CRAIPNDOSA-N 428.559 0.948 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1305242433 AJAXCGHRUDBXHN-JNAXZKDPSA-N 431.518 0.980 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 1308057505 QCZQOHGBFWRPMW-WSTZPKSXSA-N 434.537 0.901 30 10 ICEE CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1309038596 AIRSSILUAMADDU-KRWDZBQOSA-N 443.547 0.926 30 10 ICEE CO[C@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCS(=O)(=O)C1 1350732724 ARGLPIKUCAFIGV-VXNZKSKFSA-N 429.520 0.642 30 10 ICEE N#C[C@@]12CN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)C[C@H]1CS(=O)(=O)C2 1478384544 NOJLNQUFRZQPHO-YJBOKZPZSA-N 438.531 0.306 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507632057 IPNGPOOHMASIAE-ZACQAIPSSA-N 434.566 0.340 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507843816 VISSLXSWJQUCNF-GOSISDBHSA-N 446.552 0.897 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1538992602 UUIZXDCVQWLKRU-AWEZNQCLSA-N 426.506 0.956 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540865486 IJZRNZXXXRRMIN-UHFFFAOYSA-N 441.492 0.076 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1540902300 GHDFULNWFMULBC-MRXNPFEDSA-N 440.570 0.624 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F 1541925650 GJHSJMLVOWIFON-NSHDSACASA-N 433.485 0.400 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CNC3(C(=O)N4CCOCC4)CCCCC3)CC2)o1 1560220060 BZVMXRUFVSEVOE-UHFFFAOYSA-N 444.536 0.655 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1588138775 IZSVMWSHUNHDOO-LJQANCHMSA-N 448.593 0.416 30 10 ICEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589395522 WMXBBNCWIKSTBZ-IJLUTSLNSA-N 428.287 0.498 30 10 ICEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@@H]2CCN(O)C2=O)c(=O)n(-c2ccccc2)n1C 1641378823 HDFCBRDKSGXMJO-UKRRQHHQSA-N 447.517 0.651 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705533187 KCUSJQJIHCGJOT-MRXNPFEDSA-N 447.521 0.283 30 10 ICEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1705958924 NFKXCKMUTPPUKB-HIFRSBDPSA-N 449.537 0.706 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCC(F)(F)F 1706890006 KINSPDIBUGSTOH-MNOVXSKESA-N 442.489 0.913 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362023 RDCZZWQNOFZMDW-KRWDZBQOSA-N 448.549 0.237 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1722461051 LMXBWFDPVHXZST-HUUCEWRRSA-N 426.568 0.573 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1723559827 GQOGPDUPXKPERD-UHFFFAOYSA-N 445.549 0.960 30 10 ICEE C[C@H]1COCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726743093 MRJUXEUDWVYMIS-DCOQFNDQSA-N 429.481 0.266 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1740678996 XLURRUJMTRRUGA-LJQANCHMSA-N 432.569 0.957 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1748672532 UYFXPNXSORGUCR-URLQWDBASA-N 425.555 0.884 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCOCC(F)F)cc1 1750383062 OICRSYWAXQGIQX-HNNXBMFYSA-N 445.430 0.245 30 10 ICEE CS(=O)(=O)N1C[C@@H](C(=O)NCC#CCN2CCOCC2)Oc2ccc(Cl)cc21 1851287238 MDGJXODRDXSZGO-KRWDZBQOSA-N 427.910 0.319 30 10 ICEE Cn1cc(C#N)c2cc(C(=O)N3CCN(S(=O)(=O)NCC(F)(F)F)CC3)cnc21 1852692218 VWMCBLLCQYMXHW-UHFFFAOYSA-N 430.412 0.599 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873560915 BMNWVUOPXNIUCA-IRXDYDNUSA-N 428.537 0.981 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2255821077 AFHTXYXMXPNYEV-ZIAGYGMSSA-N 436.318 0.741 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)n1 2270600836 SSYUJQAJUUFPPY-LLVKDONJSA-N 445.251 0.788 30 10 ICEE C=CCNC(=O)N[C@H]1CCN(C(=O)C=C(C)C)[C@@H]1C(=O)N[C@@H](Cc1cccs1)C(N)=O 3839140 DAZSYPJONCNDMP-BQFCYCMXSA-N 447.561 0.682 30 10 ICEE O=C([C@@H]1CCCCN1CC#CCN1CCCC[C@H]1C(=O)N1CCOCC1)N1CCOCC1 472578592 GQIILMSTAJQVHT-VXKWHMMOSA-N 446.592 0.416 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c(C(=O)OC)nccc23)CC1 500829300 CBIJXKPOBAAXLV-UHFFFAOYSA-N 432.502 0.630 30 10 ICEE Cn1nc2c(c1NC(=O)C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CCC2 534894275 TUIFMESGMDZXAT-UHFFFAOYSA-N 442.501 0.252 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C[C@H]1CCCO1 562294202 WTGLRLXFBQNHTR-OAHLLOKOSA-N 443.525 0.664 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 728531230 DPRFCUNGTWNQGK-MRXNPFEDSA-N 438.575 0.185 30 10 ICEE CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732707863 GKIAHFLEQNMDPF-HXUWFJFHSA-N 440.548 0.895 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)OCC[C@@H]3C2)CC1 764436318 DXDPFOCMFXIGNY-OAHLLOKOSA-N 440.460 0.981 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C#N)CC1 781945976 WPKAFAHNLSJMKM-ZDUSSCGKSA-N 428.536 0.574 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1159490492 QWHJWORCRDEYMH-ZUOKHONESA-N 431.449 0.087 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286489828 FPMDQAXKXXZAIF-ZWKOTPCHSA-N 427.509 0.184 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1286495645 BKKNVRGJYKWYST-KBPBESRZSA-N 426.568 0.066 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286818404 IBNCMMZFAPGOML-LJQANCHMSA-N 434.522 0.915 30 10 ICEE CC(C)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288003476 APWRNKVPWWEISG-OSCRUYLVSA-N 429.525 0.839 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300488909 WZHHXCOWGWAMCJ-IAGOWNOFSA-N 431.518 0.772 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1300806200 RIZZUPKLDFOKNJ-MAUKXSAKSA-N 441.579 0.208 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1301952078 GKYRWLTXRGPDPU-OLZOCXBDSA-N 439.567 0.976 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C1 1359312775 APBFFIPCYPVTPO-YHUYYLMFSA-N 429.543 0.210 30 10 ICEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1470618066 BBCMGJBKDRIDFV-UHFFFAOYSA-N 429.502 0.854 30 10 ICEE C[C@@H](C(=O)N1CCC[C@H](n2nncc2I)C1)n1cnc(C#N)n1 1471494419 LGKOSVRAVUZQQW-UWVGGRQHSA-N 426.222 0.771 30 10 ICEE COC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1472191755 LAKHSEYQIBQAGO-ZOCIIQOWSA-N 427.523 0.657 30 10 ICEE CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cn1 1502229512 HMJJMGGZMKXLIY-ZBFHGGJFSA-N 436.542 0.472 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507572798 XNRAGTCSQWNWBF-UHFFFAOYSA-N 431.522 0.857 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1507632251 KEQBKIQAEMMMKA-HOTGVXAUSA-N 433.538 0.816 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507799919 YKAIFBIPHJGOLO-QAPCUYQASA-N 430.513 0.034 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508082648 VRZIMPSHMLQRBE-HNNXBMFYSA-N 433.538 0.408 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1540053691 HVQIUTKCQAWZIO-HNNXBMFYSA-N 432.506 0.959 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1541946520 WZFXEKVBBPKSDS-KSSFIOAISA-N 446.533 0.738 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1 1560145648 PMJPTAVUKOEDDV-RBUKOAKNSA-N 436.582 0.274 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1587707344 DSODHYUKZQMIPQ-SJORKVTESA-N 437.518 0.698 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1588055580 XVUSAWCVFKFEDA-CVEARBPZSA-N 440.591 0.997 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(OC)CCOC2)CC1 1588924085 VBSLHOZFMKLYFU-IIBYNOLFSA-N 430.509 0.001 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595477007 PXOTVYHQWOGDHG-INIZCTEOSA-N 431.541 0.365 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595784578 JBRRRBPINDCWAR-LJQANCHMSA-N 432.506 0.972 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831846 XUOAKIJRNCZJSD-DNVCBOLYSA-N 441.554 0.231 30 10 ICEE Cc1cc(C)cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)N2CCC(C(N)=O)CC2)C[C@@H](O)[C@H]3O)c1 1614399352 HGBBOGKQPWGSGN-NNIGNNQHSA-N 446.573 0.830 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1617688620 SLANEJPOSFSRMT-JKSUJKDBSA-N 431.555 0.898 30 10 ICEE C#CCNC(=O)CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618538709 HWRPIWUEVOMCTK-MSOLQXFVSA-N 433.553 0.994 30 10 ICEE C=CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nn1 1630445804 OGRAIIBYXCLIJN-BMFZPTHFSA-N 439.538 0.751 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 1643372710 YAEKHTFYCXWWLO-UHFFFAOYSA-N 425.898 0.095 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)CCC)CC1 1650846263 PIBFUXBDTZSITO-UHFFFAOYSA-N 428.536 0.064 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1653156850 RWFHDUNAHNDJEQ-UHFFFAOYSA-N 439.516 0.752 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC)CC1 1690143970 HXFYFZFRRWSMID-UHFFFAOYSA-N 431.522 0.136 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690663375 UXGMMTQZOJULFB-SFHVURJKSA-N 428.493 0.597 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1705571139 XDBCYWLEKLFPGK-GOSISDBHSA-N 440.533 0.572 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccn(C)n2)CC1 1705769609 XNOMEKFZWQZUGN-KRWDZBQOSA-N 435.554 0.744 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705902851 KZCRBLFOSMMLMR-HOCLYGCPSA-N 430.513 0.659 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)C1 1705917319 WAWITLJYENWVQZ-RRFJBIMHSA-N 440.570 0.584 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1722366909 TXUDFLRUMYDHHL-QGZVFWFLSA-N 430.534 0.369 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1722368081 PEFCYHQKDSAQBX-GOEBONIOSA-N 441.579 0.064 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CC2)CC1 1722443243 FNIYFWPBURKYHD-QFIPXVFZSA-N 431.537 0.809 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1NC(=O)CC1(C)C 1722640914 UUXZESUPKKNQEI-UONOGXRCSA-N 426.543 0.148 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCC(=O)N(C)C)CC2)c1C#N 1725866762 FQCQMWFMEJNNER-UHFFFAOYSA-N 436.524 0.992 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1740695455 ROINFOYGCMTANP-LJQANCHMSA-N 426.569 0.935 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCN(C)C2)CC1 1740706062 PGOPXDJAMJRVON-XMSQKQJNSA-N 430.553 0.552 30 10 ICEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749246455 CLRMBNJBGBYGAA-CYBMUJFWSA-N 433.904 0.799 30 10 ICEE Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751931059 LTRBYTMAXYVFHT-HNENSFHCSA-N 426.456 0.974 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760189348 ICFJEICIXQELAR-DJPFJPOOSA-N 445.545 0.431 30 10 ICEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760440552 MEZPNPLONNULMF-HNNXBMFYSA-N 430.513 0.215 30 10 ICEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1769660353 CLXJYYWCWMTLOA-VKJFTORMSA-N 444.533 0.724 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C[C@@H]2C(=O)NCc2ccncc2)CC1 1852190027 GUHALVWJAQCIBE-VQTJNVASSA-N 434.500 0.966 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2081007534 ACDMJVXKPLTAOK-AYCBFJCHSA-N 438.330 0.878 30 10 ICEE CO[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108229722 VJGJHUZEXWBTMK-MAUKXSAKSA-N 427.454 0.892 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255617325 UXFLOSHOZSYZQQ-KBPBESRZSA-N 436.318 0.809 30 10 ICEE CCn1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2255652172 QKDQVOUICWPQBH-UHFFFAOYSA-N 430.236 0.953 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255814587 ABABAHYOZMEEIG-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE C#CCN(CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1)[C@@H]1CCS(=O)(=O)C1 111045788 MSWVKVJDVHNSDB-APWZRJJASA-N 431.514 0.980 30 10 ICEE CCCn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 448488398 RAJLWHVFPJTXRH-UHFFFAOYSA-N 430.490 0.636 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)cn1 523581692 DALNSAVKWMWHHL-UHFFFAOYSA-N 437.525 0.990 30 10 ICEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c(F)c1 557357788 OGDKPADVJLMHKP-SFHVURJKSA-N 429.496 0.527 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 561341358 JBYPBECVENFQNB-DZGCQCFKSA-N 428.536 0.155 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 616176454 CHNDZNVXKDJWLW-NRFANRHFSA-N 445.589 0.755 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@H]1CCS(=O)(=O)C1 729334257 KZXZPYIBJWYEPL-HNNXBMFYSA-N 427.548 0.462 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cn1 735068279 HEHXOJLQHHFDQL-UHFFFAOYSA-N 439.472 0.527 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1286808873 FFYSYSVUWSVEIN-JKSUJKDBSA-N 441.554 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286820887 UOYQJBXTCOUVIV-DLBZAZTESA-N 441.554 0.462 30 10 ICEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1290864916 DQEXDWYQCKDEGO-MRXNPFEDSA-N 430.538 0.461 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300487130 GVLGMGLKHWPMOH-HNNXBMFYSA-N 446.533 0.182 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCOCC1 1300520669 MENDMUXDHJQMRW-UHFFFAOYSA-N 445.487 0.243 30 10 ICEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300637560 FRCZPMYMZXNNES-FQEVSTJZSA-N 434.518 0.875 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)nc1 1300675945 XEZPXFRRYFSAQL-UHFFFAOYSA-N 425.493 0.888 30 10 ICEE COC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OC(C)(C)C)C1 1305591350 XHEDWGUMFMZGLB-HXUWFJFHSA-N 433.465 0.477 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1316102234 UULHCECSIMDODM-SJORKVTESA-N 440.570 0.820 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1358955018 CEORWUFFEAHYAT-HNNXBMFYSA-N 448.553 0.000 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359034900 GANFGQCRMMPOCE-MOPGFXCFSA-N 430.553 0.422 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359049739 VLFKNLAYVOTIGT-HUUCEWRRSA-N 440.595 0.456 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1359057591 DLCANIPUNLKQJA-INIZCTEOSA-N 438.579 0.717 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC)c(C(=O)OC)c2)CC1 1467303208 AVRMHLUFKGCRPM-UHFFFAOYSA-N 426.520 0.812 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 1478050773 GACSDLZDVFGLDF-RHSMWYFYSA-N 449.533 0.652 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1507710203 CTPHRWOCEHJSEO-HNNXBMFYSA-N 446.595 0.480 30 10 ICEE C=CCCn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 1531316800 NERYHJGBIHQKRL-UHFFFAOYSA-N 448.549 0.745 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C[C@H]1CS(=O)(=O)C2 1538761376 XWXILUBCJKFXRT-ZUZCIYMTSA-N 437.279 0.435 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539205325 GQKTYZJAYXMGAH-OXQOHEQNSA-N 449.533 0.902 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1539556449 CQHHZJYSFSJHBO-MGPUTAFESA-N 428.518 0.715 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1588074539 OHZVHRFZIUMHCQ-INIZCTEOSA-N 447.565 0.808 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cncn2)nc1 1588673313 OIFDJOHPQKKMNA-UHFFFAOYSA-N 435.492 0.511 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNS(=O)(=O)c2ccccc2)CC1 1588891273 NENJSUNYXHEDGG-UHFFFAOYSA-N 430.534 0.531 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1595971565 RUUITIMCLAOVJT-CHWSQXEVSA-N 437.946 0.832 30 10 ICEE N#C[C@]12CN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)C[C@H]1CS(=O)(=O)C2 1627137423 ZBZWYSWXWLCNSD-HNAYVOBHSA-N 437.543 0.918 30 10 ICEE C#CC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C(=O)OC 1637696440 DOWSBXSTGZGCIJ-HNNXBMFYSA-N 434.518 0.920 30 10 ICEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1654987004 XKHMWHVHBUNUOP-XHSDSOJGSA-N 428.555 0.713 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)CC1 1658969807 FNUYMXYMMVYEPQ-DLBZAZTESA-N 442.582 0.119 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)n(C)c2=O)CC1 1690134898 JREJBCUIKWBJAR-PMACEKPBSA-N 440.548 0.813 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690288244 ODWXGECVVYXJPH-OAHLLOKOSA-N 431.584 0.522 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)C1 1690699852 KBTLYMPRIOHPMA-JFBVMJNESA-N 440.566 0.892 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705501766 NUEZEFWYBACWED-QRWLVFNGSA-N 434.518 0.873 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705565489 IOTHXYFONKOYTG-OLZOCXBDSA-N 431.465 0.138 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)CC1 1705637363 UGGQZRPUMLJTHW-UHFFFAOYSA-N 432.431 0.810 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722333900 ZVEBXUVEROUOFE-KSZLIROESA-N 436.582 0.697 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1722732245 WTAZKOWQMQAPNU-MAUKXSAKSA-N 425.511 0.260 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1723772490 LYVHVZLYZQQMLB-AWEZNQCLSA-N 429.481 0.993 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740638080 IHWNDLOUFJZTSM-UHFFFAOYSA-N 445.483 0.949 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCC(=O)N2)CC1 1740702945 BMXOEZRELYUZII-VGOFRKELSA-N 444.536 0.175 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1740709700 LDBBMWPDPCEJHF-UHFFFAOYSA-N 431.566 0.875 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1740991908 HZMUSHJITNYRIN-QAPCUYQASA-N 441.579 0.911 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCN(CC)CC1 1748640708 XBHDYGOBSMLILT-OKZBNKHCSA-N 439.630 0.620 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NC2CCCCC2)CC1 1748994667 MFOPSHTVUOHULC-UHFFFAOYSA-N 427.553 0.605 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749211506 ZHDHYFWKRSMAIP-ZIAGYGMSSA-N 435.572 0.104 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1760175700 PLCNUKHLRBWUJU-MRXNPFEDSA-N 436.538 0.978 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNS(C)(=O)=O)CC1 1760268433 REZYXUFPIJYKGD-UHFFFAOYSA-N 430.534 0.460 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760529106 XBRNGYCLBCBIRP-QFIPXVFZSA-N 448.568 0.926 30 10 ICEE CCc1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762894374 MHMZJRXOGWRFLL-XBRXAHEZSA-N 431.541 0.912 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1772660182 VLEVAQAFEDKIDS-CQSZACIVSA-N 447.517 0.942 30 10 ICEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(=O)C2)C1 1855006316 KIABJGZGDQRYIO-AEFFLSMTSA-N 439.582 0.095 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4ccccc4C3)C(=O)C2)C1 1856848931 AEXAYYMBRKMFHK-RBUKOAKNSA-N 430.530 0.390 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCOCCO)c(C(=O)OCC)c1C 1860761372 SLPJIDCTOTVPEM-UHFFFAOYSA-N 428.463 0.640 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)CC1 1890265128 WRSXNTBBHTYADE-UHFFFAOYSA-N 430.524 0.814 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831199 RLOWPIUGKKFHAQ-STQMWFEESA-N 436.318 0.809 30 10 ICEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 72443756 NGQUKQWCERQRRB-TZMCWYRMSA-N 437.416 0.604 30 10 ICEE N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 106042446 FTBNGKNTSDTGDY-UHFFFAOYSA-N 441.941 0.735 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]3COCC[C@@H]32)CC1 464848136 FOJKNQHJYLWECE-MOPGFXCFSA-N 432.546 0.892 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477825119 NBFKZJJKQQUWOW-MRXNPFEDSA-N 447.561 0.286 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 517488554 DNYVQFDRRSEKOG-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)COc2ccccc2C#N)CC3)CC1 550092452 LPIUIADGUMDJEK-KRWDZBQOSA-N 436.516 0.900 30 10 ICEE CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)(c2ccccc2)CC1 572284574 SHAPJTOQSHVPSW-UHFFFAOYSA-N 432.546 0.954 30 10 ICEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615486703 IUECYAFURKSBPG-UHFFFAOYSA-N 427.486 0.284 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 619434301 FMMXXHWYXYMLAG-OAQYLSRUSA-N 440.504 0.654 30 10 ICEE C#Cc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 727949781 ATRSTNHYFRQUFF-UHFFFAOYSA-N 426.498 0.863 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 760085723 NEZUOXXYULLXEY-UHFFFAOYSA-N 449.552 0.979 30 10 ICEE CC1=C(C)C(=O)N(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1141411768 LGTYIABUQDELIJ-UHFFFAOYSA-N 430.486 0.486 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(=O)nc1O 1143402051 FSMJWZUCGCJFLY-UHFFFAOYSA-N 429.440 0.979 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 1154245989 CWQPBZJKCIDXKX-YQQAZPJKSA-N 430.486 0.656 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1286791157 UYMNXPVJYWUTMI-UHFFFAOYSA-N 429.525 0.151 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1288775855 HNEFKWGXWUJYNQ-CYBMUJFWSA-N 429.510 0.573 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1296605334 HNXRMSJRILDVBM-WOJBJXKFSA-N 436.488 0.654 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300465341 LVMYKHWQLUPWGZ-IAGOWNOFSA-N 436.582 0.192 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1301223319 RJORAUXRMFTRFO-JKSUJKDBSA-N 440.570 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301567300 GWXFNWNWBMFPTR-HOTGVXAUSA-N 441.554 0.401 30 10 ICEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1302469668 DEGBQYSZTVSSHF-UHFFFAOYSA-N 446.533 0.736 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C2)c(=O)nc1O 1305590322 PMCNOFZUWSQUGW-AWEZNQCLSA-N 449.514 0.509 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1316529415 DTWXFFYKUWBRKI-RDJZCZTQSA-N 428.518 0.953 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 1319390463 BZMYNWNHRYJFJQ-CQSZACIVSA-N 435.509 0.376 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1nnnn1CC1CC1)[C@H]1CCS(=O)(=O)C1 1358963364 GQRXYTAIVGOGTH-INIZCTEOSA-N 432.554 0.548 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1358978775 UGXHSLUJEGIMGP-SFHVURJKSA-N 435.513 0.882 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1358992284 HOKYEFPTUQNPKJ-HNNXBMFYSA-N 429.502 0.903 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H](O)C2)CC1 1359040052 GHKXONSCSHOZMO-WMZOPIPTSA-N 430.553 0.933 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359215595 FWKRTBSYJDAWNN-LSDHHAIUSA-N 426.543 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359332025 MSSRZHUINWRZLH-HZPDHXFCSA-N 438.554 0.183 30 10 ICEE C=CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1467140952 RAFIPLOJSSXQRQ-CQSZACIVSA-N 439.490 0.805 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CC1 1507729953 MGHHJGHINPCACQ-SFHVURJKSA-N 436.582 0.556 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508146608 ZUQHVTUERHWFGO-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCO1 1508371974 PQNXGECSEVRYCF-KRWDZBQOSA-N 427.465 0.368 30 10 ICEE CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1517053921 UEXHUCADBXJPFB-LTRYHMRKSA-N 434.522 0.695 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1539072349 PTXDCAYLNBLQDL-HOTGVXAUSA-N 439.538 0.414 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1539179086 NDTRARLPKILECQ-HNNXBMFYSA-N 438.579 0.996 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539467763 YZOQPYSZEDUPOR-FOIQADDNSA-N 437.566 0.307 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539683459 QJZGSEMBLPDRRH-OAHLLOKOSA-N 441.558 0.039 30 10 ICEE CN(CCc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1544901615 BHPONEUXYHUYRW-UHFFFAOYSA-N 426.498 0.993 30 10 ICEE CCN1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1547698502 KGKLRCBBWWJNBK-IGGDJGDASA-N 443.508 0.715 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1595475194 BMNVTCFFVKSRIP-CQSZACIVSA-N 426.543 0.197 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595497288 WRYOCIUVGRUCLE-HNNXBMFYSA-N 426.437 0.369 30 10 ICEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1620441766 YUFJEBPFTMAYQO-FQEVSTJZSA-N 434.518 0.526 30 10 ICEE N#Cc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1Br 1632155581 BORVWNRECCKUPX-UONOGXRCSA-N 428.308 0.548 30 10 ICEE N#Cc1cn(C2CN(C(=O)CNC(=O)c3cccc(Br)c3)C2)c(=O)nc1O 1648790532 LVYUTOQVZLXXBS-UHFFFAOYSA-N 432.234 0.396 30 10 ICEE CCOC(=O)CNC(=O)[C@@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1658081725 GTCPAGCKYFUYOM-HNNXBMFYSA-N 434.518 0.817 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992607 MSZMFPWQBALVCI-MRXNPFEDSA-N 433.509 0.723 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCOCC2)CC1 1690150642 OZHHWRXFDJUUCZ-UHFFFAOYSA-N 428.537 0.793 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1698317503 MIXDVDQIUBAQJF-IAGOWNOFSA-N 443.533 0.471 30 10 ICEE CO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712679085 QAEQITZFCLCWGC-JGWKNBOWSA-N 429.481 0.152 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1722295723 LFNAVLCQAXKNCP-RCCFBDPRSA-N 438.598 0.943 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1722316285 GQCBMGANCWAHKD-QGZVFWFLSA-N 438.554 0.083 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1722332376 JRAYJWWNUFCQSZ-ZWKOTPCHSA-N 436.582 0.699 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1722358204 DYCVIOPLSXNHRZ-KRWDZBQOSA-N 430.534 0.795 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1722382928 DOQXLAVNPOPMLN-SFHVURJKSA-N 443.533 0.025 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1723660436 FTUANTPEUYVNPY-HNNXBMFYSA-N 445.549 0.811 30 10 ICEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1730994310 CLDWPPTWEUNXLK-IAGOWNOFSA-N 447.517 0.883 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(N)=O)C1 1740963203 CUZVWLDEUQFGIU-CQSZACIVSA-N 445.549 0.664 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1740966494 ZBZGCRCUSVXPRJ-YWZLYKJASA-N 436.513 0.509 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740981705 QIZDEZBIJNDKGJ-SFHVURJKSA-N 447.561 0.985 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1748815366 PRFAPJKJDDRGBZ-HOTGVXAUSA-N 435.550 0.673 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760099691 KGJKTWBDCOMMJS-FCEWJHQRSA-N 425.555 0.812 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1760351323 GJQWPXQVPFTTNH-GDBMZVCRSA-N 428.559 0.586 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)CCOC1 1767439617 NMOPQORKQXQJKZ-QZTJIDSGSA-N 445.517 0.433 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1771531730 AHBHXSOZSSBDJN-QGZVFWFLSA-N 427.490 0.581 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1771537034 GNOFEKQXRNRIKU-CZUORRHYSA-N 448.480 0.687 30 10 ICEE COC(=O)c1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890541842 OYHBBLNXMQAQTF-UHFFFAOYSA-N 449.573 0.894 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243686574 NYJJQRSIVFSEKR-JTQLQIEISA-N 428.320 0.473 30 10 ICEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2312856589 CLMXRUHJYVNRLV-DDHJBXDOSA-N 433.236 0.850 30 10 ICEE C=CCn1c(=O)/c(=C/c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)NCCOC 9540337 MMAKPUMPJSXEOK-VVFPYCPVSA-N 435.452 0.963 30 10 ICEE Cn1c(=O)c2nc([C@H]3CCCN(S(=O)(=O)c4cccc(C#N)c4)C3)[nH]c2n(C)c1=O 222492867 XHWOAKCEKAMUQW-ZDUSSCGKSA-N 428.474 0.400 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508940461 YIJIRNGAYRSASI-IUODEOHRSA-N 439.460 0.691 30 10 ICEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)nc1 580973704 RGTKPYJROPQMOK-NRFANRHFSA-N 439.497 0.923 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C[C@@H]1CCCO1 609333520 FOGHBESSEHAGKA-KRWDZBQOSA-N 443.525 0.363 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 614604077 YTAQTQCLEHIIEM-UHFFFAOYSA-N 448.467 0.587 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806052 UKRBIBKHCFINOH-VYDXJSESSA-N 439.586 0.063 30 10 ICEE CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)c1cc[nH]n1 772204099 VLKAZEPYXSXKMS-UHFFFAOYSA-N 433.387 0.753 30 10 ICEE Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)no1 785319448 QSXJDVWPUNAXEV-CJLVFECKSA-N 434.478 0.788 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 786987501 WAAMOFXAIBPLMF-KRWDZBQOSA-N 440.891 0.929 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 788813728 HJTJTPKZAGIDEW-UHFFFAOYSA-N 446.529 0.826 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)C2)c(=O)nc1O 1159489507 DSKBVFLJNOJFHC-NRFANRHFSA-N 441.419 0.955 30 10 ICEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1226704213 XXJGRHVDHSARKL-RVKKMQEKSA-N 425.532 0.737 30 10 ICEE CCN(CC)CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1253948336 CRJOBTKGHFGKOO-IJYGLTAASA-N 426.539 0.260 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286389499 LBBCUYUNYVJRKR-OAHLLOKOSA-N 429.568 0.112 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1286429423 BFUBEZQNSOFYOO-ROUUACIJSA-N 435.550 0.501 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1290985866 LRMJXKQGJKJOKI-KRWDZBQOSA-N 441.536 0.974 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300479296 KTXIXQKYXZYHGA-ZWKOTPCHSA-N 448.593 0.625 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300501894 OBLHJPWZWSJPCQ-MRXNPFEDSA-N 431.518 0.880 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1301592886 FYKAUMWBQYKVTG-KRWDZBQOSA-N 449.581 0.703 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1302495461 QBUVGOZQLYIGEE-IAGOWNOFSA-N 443.533 0.471 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1305788698 ATAUMWWXCPFODE-GFCCVEGCSA-N 431.419 0.604 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(C)=O 1314393409 JDJAVQJNACYYLZ-OAHLLOKOSA-N 427.513 0.718 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CC1 1470123454 OEUYFCVQFCJXDQ-UHFFFAOYSA-N 430.477 0.917 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505323312 FIQHZVDTWYFLES-IBGZPJMESA-N 433.472 0.905 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1507537383 HYEMNXHHVJRPMD-SJORKVTESA-N 447.565 0.966 30 10 ICEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNS(C)(=O)=O)CC1 1507900126 GYCFZONCZBTTOS-UHFFFAOYSA-N 443.537 0.872 30 10 ICEE CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1517624441 DPDRDOMJCHZDJK-CJNGLKHVSA-N 434.478 0.069 30 10 ICEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1537005413 HDWQKRPLOAQHMZ-ZLGUVYLKSA-N 449.529 0.538 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539202357 HGBIRBZPPAWIQP-XJFOESAGSA-N 433.531 0.046 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539230242 FEGUUIKRJUBKPT-XSLAGTTESA-N 438.550 0.808 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1539343464 KJEKVOSIVVIMMC-OAHLLOKOSA-N 434.570 0.908 30 10 ICEE CC(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1541115702 DBYOMTGQVKYFTG-HUUCEWRRSA-N 441.558 0.122 30 10 ICEE N#Cc1ccc(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Cl 1559637034 GLZWHEQSLMGCKC-IRXDYDNUSA-N 426.926 0.628 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)NC(C)C)CC2)s1 1587259344 PZWWISRVNHWFOS-UHFFFAOYSA-N 428.580 0.424 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1595536935 JGFMIZFGOWHEBU-JKSUJKDBSA-N 429.525 0.274 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1595798561 QNERQEPWQSLQRR-CABCVRRESA-N 432.568 0.254 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1610900768 BFDKOBNXXIEHHF-LVCYWYKZSA-N 434.541 0.768 30 10 ICEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 1620501296 AWQBXNQKWKIDPV-LJQANCHMSA-N 442.545 0.877 30 10 ICEE COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1I 1630030572 NIUNXRQSSMJNQB-UHFFFAOYSA-N 440.197 0.864 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689995858 BFTBHHPUVVMQPF-MSOLQXFVSA-N 448.593 0.512 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N(C)C 1698256197 YTEXBXSAGQQMTN-IEZWGBDMSA-N 431.541 0.657 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1705551224 JQJWALGDWXGXME-QGZVFWFLSA-N 449.533 0.746 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)CC)CC1 1705636814 YXAQTUJAMGDAPM-WJOKGBTCSA-N 439.549 0.445 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)CC1 1705647274 CAAYERJBJZNMNA-ZWKOTPCHSA-N 447.561 0.839 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1710724548 FSFZPVPLAROQNZ-UHFFFAOYSA-N 441.492 0.599 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1712454469 OBRZLQXQYYHCRL-OWCLPIDISA-N 427.527 0.087 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722738681 NKQCWPLNJVLDRD-ZNMIVQPWSA-N 445.567 0.092 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740624199 DMXGZNOLPBLXCX-FXAWDEMLSA-N 431.518 0.042 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2COCCO2)C1 1740972369 HJZAUFPVFWUFKJ-ARFHVFGLSA-N 429.543 0.475 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1741000883 HQRQEAFBRNGSSD-IAGOWNOFSA-N 447.609 0.891 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC(=O)N2)c1 1748689862 IWKQYWRVACQNLD-GOSISDBHSA-N 449.515 0.849 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(C1)OCCO2 1749489079 RDAWZICONIUYKY-CVEARBPZSA-N 441.554 0.776 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749655686 PBGHTYHHGMHYHA-NVXWUHKLSA-N 429.477 0.616 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1749736144 FDYMMBCTFBLXHA-UHFFFAOYSA-N 438.579 0.936 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1749918176 PHROOAKVULLHFD-UHFFFAOYSA-N 439.520 0.226 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1NC(=O)CC1(C)C 1751208609 MMQQDTFYFDKJPM-DZGCQCFKSA-N 437.570 0.933 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760554330 ZYMWMJCIBMCFKA-MRXNPFEDSA-N 449.581 0.973 30 10 ICEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC 1765553803 FWCUTKMILBCNRA-QZTJIDSGSA-N 437.504 0.779 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1772660466 ZIUHAFDWTAVMBI-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE C#CCNC(=O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 2188608836 HFPFFRKMBFYADP-UHFFFAOYSA-N 425.102 0.822 30 10 ICEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243027865 NLJLWEJTSNWRLM-AWEZNQCLSA-N 429.514 0.657 30 10 ICEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 460692369 QEHKPNOVRXIKBM-AWEZNQCLSA-N 431.522 0.319 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 460813018 ZAOMGAMLIUZBKL-KFWWJZLASA-N 449.599 0.445 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)CC1 482091378 VKZMHSROSOICTI-UHFFFAOYSA-N 442.497 0.959 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)N1CCS(=O)CC1 482155390 ZABUGERZZLMLNF-AWEZNQCLSA-N 426.564 0.184 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 542946321 LHGNEEHPQCDKCT-UHFFFAOYSA-N 440.447 0.473 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@@H](NS(C)(=O)=O)C3)nc12 735073065 LATLHDGKLKKUIY-CYBMUJFWSA-N 434.547 0.947 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 769104486 CXHOLLWSDKSTQL-CQOSDQHZSA-N 427.505 0.695 30 10 ICEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cn1 793466726 BCSSUPHJAYQNAP-UHFFFAOYSA-N 435.509 0.940 30 10 ICEE C[C@@H](C(=O)OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)n1cnc(C#N)n1 798747996 QCDUAPSLKWCRGI-STQMWFEESA-N 437.503 0.531 30 10 ICEE C=CCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 1076383110 WGWYGTZKKSKSIJ-IBWPGLOJSA-N 447.289 0.621 30 10 ICEE C#C[C@@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1141496903 WRYRTVXDPRIGKD-INIZCTEOSA-N 445.497 0.959 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(C)(=O)=O 1300299038 LAEMHYCPGVVMKS-ZDUSSCGKSA-N 439.567 0.245 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300482767 GXHXTWWMHSGTGY-LSDHHAIUSA-N 431.584 0.358 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1300654610 AVNDQHMTIPMAFL-UHFFFAOYSA-N 426.930 0.971 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[S@@](=O)CC)CC1 1300727375 YTWNQTDLSZTZTB-PMERELPUSA-N 428.562 0.998 30 10 ICEE C#CCOCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1306017084 XHWPHHVNIHSDLJ-UHFFFAOYSA-N 439.509 0.547 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1306246564 URUNWALTACBIQA-KRWDZBQOSA-N 446.533 0.593 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CCO1 1316537860 FUWVIUGWGZXEEF-OLZOCXBDSA-N 435.286 0.617 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1358964880 JGDIKAQTMAVKOE-INIZCTEOSA-N 426.506 0.067 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1359009897 BJJOHFIURLSOSB-HOTGVXAUSA-N 425.555 0.886 30 10 ICEE C[C@H](CC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 1455501337 XERWIUQAHNJYOR-MGPQQGTHSA-N 425.532 0.397 30 10 ICEE C[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1493587279 DBKBFXIRKAEUSP-WCXIOVBPSA-N 438.554 0.776 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507622033 ANECKFNTAXUAIM-KZNAEPCWSA-N 449.577 0.692 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1507702522 LYBDVUNQCWHKRZ-CQSZACIVSA-N 435.506 0.751 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507868502 LDDOKYZNHJFFRY-AVGNSLFASA-N 447.901 0.478 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507954812 PZVXIJYJAULUIS-MSOLQXFVSA-N 449.581 0.754 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508087026 NAHOFQVNCBVSAC-UHFFFAOYSA-N 447.565 0.716 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1508099448 XQIWQTQGBHDAAM-NRFANRHFSA-N 434.541 0.681 30 10 ICEE CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1517597219 HBSYUSUCAUWQLF-QGZVFWFLSA-N 436.520 0.954 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)C[C@H]1CS(=O)(=O)C2 1538540463 XLHBCIYJMSPEQP-SJCJKPOMSA-N 443.934 0.890 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)F 1539153833 BMZODJNUQZZPFC-UHFFFAOYSA-N 440.476 0.646 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539636626 LKRFCGFETBXNCX-WIYYLYMNSA-N 432.569 0.803 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCS1(=O)=O 1539650353 OSJBLZCZDZXLMA-CQSZACIVSA-N 434.588 0.326 30 10 ICEE Cc1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc1B1OC(C)(C)C(C)(C)O1 1587489262 DIJKUPWVWJYXLX-JOCHJYFZSA-N 430.310 0.652 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1587990362 WHVPOHBMJTVLJB-FUHWJXTLSA-N 431.518 0.684 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1588158689 ISONGKLMIRZCLQ-UHFFFAOYSA-N 433.560 0.852 30 10 ICEE CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1613422517 CZQFKJOAPIMAJH-HUUCEWRRSA-N 426.481 0.959 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1([S@](C)=O)CC1 1616910316 DLEWRLPWEJMYGE-HKBQPEDESA-N 446.581 0.966 30 10 ICEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1618930227 AISLJMHVISCBMO-LSDHHAIUSA-N 448.553 0.516 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 1634411771 RDQDYWYZESOPRL-HOTGVXAUSA-N 443.570 0.617 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 1636479849 HEIBQVLUKWMKCG-CQSZACIVSA-N 442.335 0.927 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 1650845910 ASLCRANPIOLAIJ-UHFFFAOYSA-N 435.487 0.944 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1 1652150851 AHQFGSYSYRJUQG-UHFFFAOYSA-N 444.391 0.353 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1659652877 ZXPSQEPTDMPGRD-SJORKVTESA-N 439.607 0.718 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 1683326089 GMNLUZIKXNHUPH-MRXNPFEDSA-N 430.571 0.785 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1689997218 XSWKZQUFYIEJEB-QGZVFWFLSA-N 445.549 0.069 30 10 ICEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705536823 XJGDIIQZJUTWKA-UHFFFAOYSA-N 449.519 0.144 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705559438 APYMNWKDPAQHIG-OAHLLOKOSA-N 446.533 0.977 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1705648569 UOWKHCZDFVKJIX-PKOBYXMFSA-N 430.553 0.469 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1705674532 LBBXYNKWILUKCP-HDMKZQKVSA-N 429.518 0.588 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CCCO)CC1 1705763135 PAPXRLLROGSPJC-DLBZAZTESA-N 426.587 0.892 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705900853 RTFJIDJXIHYLFF-SFHVURJKSA-N 439.568 0.642 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)CC1 1722438871 FTASSICFPSWGAV-UHFFFAOYSA-N 449.552 0.824 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1722461041 LMXBWFDPVHXZST-CABCVRRESA-N 426.568 0.573 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722726331 CGLGKEOPWXFAKH-HZPDHXFCSA-N 438.554 0.677 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1740640527 PGVUCVHRIKTSBQ-WMZOPIPTSA-N 434.566 0.167 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1740793349 RUOVIXWTPKQLDL-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740985763 LBEZJXIABYHFEY-JKSUJKDBSA-N 441.554 0.355 30 10 ICEE CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1746949675 IFSMQQIEXPABRF-ASFAAARLSA-N 440.570 0.948 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1748791343 SNIMNQRTWXVCKI-UHFFFAOYSA-N 438.536 0.804 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@@H]21 1749037806 JQINLVYVJDCGGS-PMPSAXMXSA-N 425.580 0.966 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749655339 IFHKJVREMZIFOF-QGZVFWFLSA-N 448.549 0.774 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)CC1 1749660957 WYYHTZGWUGMHKG-UHFFFAOYSA-N 442.476 0.907 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760145091 HZHVXJLXGDWJQP-HUUCEWRRSA-N 431.584 0.705 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1760179309 PPJJULJWUDGDDZ-QGZVFWFLSA-N 443.529 0.895 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC=C)CC1 1760252609 SHIBBZOAIFQQRB-UHFFFAOYSA-N 443.533 0.281 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(=O)N(C)C)CC1 1760260549 WURSXBMWFATFDC-UHFFFAOYSA-N 427.509 0.629 30 10 ICEE CC[C@]1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1762480714 QXCZRFSFZIAOJG-DDPVOYOXSA-N 443.508 0.761 30 10 ICEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)CC1=O 1854935858 UIRHQBFEOUEPFE-INIZCTEOSA-N 426.445 0.453 30 10 ICEE Cc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 1866637922 AWDRSGRAJKOAFM-KRWDZBQOSA-N 430.486 0.846 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267271286 QYEYXIKQQJBWPL-UONOGXRCSA-N 448.329 0.876 30 10 ICEE CCCOc1ccccc1C=NNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 254301556 SSSPWAWBWMVYGZ-JNNRSPCRSA-N 443.464 0.255 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)n1 479391391 YAVDSYCFMCHIJV-MRXNPFEDSA-N 442.541 0.768 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 524516966 UWZQIMUCNBEOHZ-HXUWFJFHSA-N 443.548 0.725 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 546736015 DJGKLRUXWYHHAO-CYBMUJFWSA-N 440.547 0.298 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795447 HULYGVORMRRACD-MRXNPFEDSA-N 429.546 0.894 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccc(OCC)nn3)c2C)CC1 733149834 UEDCHYXFLKCBEI-UHFFFAOYSA-N 425.493 0.267 30 10 ICEE COc1ccc(C(=O)Oc2ccc(C=NNC3=NC(=O)C(=O)N3)cc2OC)cc1OC 765595742 OLZZVFHVHPOVRH-UHFFFAOYSA-N 426.385 0.868 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)CC1 770247429 JBFCBZUUOFMYIR-UHFFFAOYSA-N 425.482 0.367 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)c1 789633625 SKUCFQRECRNLJY-GLXUHCQUSA-N 436.412 0.477 30 10 ICEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 809918481 ZOUKLQZIOQQUSH-HUUCEWRRSA-N 436.513 0.724 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 918559149 VIWYCAYFWRMBET-UHFFFAOYSA-N 432.502 0.054 30 10 ICEE C#CCCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1136499213 OURBUIQSIJIMAI-SQNIBIBYSA-N 439.578 0.824 30 10 ICEE COC(=O)CCN(CC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1152128868 PIJXUFXFMVCYEX-UHFFFAOYSA-N 425.463 0.432 30 10 ICEE CN1CCn2nc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc2S1(=O)=O 1266351197 FOHTUXAAQIUPLQ-UHFFFAOYSA-N 430.490 0.904 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286386202 WJVROEJLFPPKHC-AJNGGQMLSA-N 429.568 0.171 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccn(CC)c2=O)CC1 1286489727 DTTASYWBKIQTGF-UHFFFAOYSA-N 448.531 0.874 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286769189 WMGUGNBTNDEHFZ-ZIAGYGMSSA-N 436.542 0.472 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286790281 MJGKOGOVJQNUEK-KRWDZBQOSA-N 431.541 0.004 30 10 ICEE O=C1C=COC2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)C1 1289363016 ZUYPRZVUOHNKBC-UHFFFAOYSA-N 433.486 0.285 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300501276 ILQVOELDFOUISD-GOSISDBHSA-N 442.545 0.665 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300529832 RHAXIZVDVVNSAR-UHFFFAOYSA-N 427.468 0.676 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccoc2)CC1 1300711624 FJGBHDNVWYVRSK-CQSZACIVSA-N 434.522 0.495 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1301390925 PPBGCHIOMZUQAT-JKSUJKDBSA-N 443.595 0.783 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301520261 VVZZDRPUHPJKDB-UHFFFAOYSA-N 430.469 0.747 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 1302924387 LSTWWCFTHCSJNW-CQSZACIVSA-N 440.469 0.203 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cccc(I)c3N)C2)c(=O)nc1O 1305591460 KMTGWKURDUPMKW-UHFFFAOYSA-N 437.197 0.704 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)NC)CC1 1359040319 PDKQSABDYATIMV-UHFFFAOYSA-N 431.541 0.298 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCc1ncn(C)c1Br)c1cc[nH]n1 1456431931 YBKKFMUQLIIUMI-UHFFFAOYSA-N 427.259 0.548 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccnc(OCCO)c3)CC2)cc1 1467071276 HCQUQOXWQRIGKH-UHFFFAOYSA-N 431.474 0.863 30 10 ICEE COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1504831450 RLLLDTIMJLXBEI-YJBOKZPZSA-N 426.543 0.778 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC)CC1 1507720697 WCHJLXIAVVZUMX-HXUWFJFHSA-N 439.582 0.509 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508047319 BLBFXVSUGFUNBB-NSHDSACASA-N 440.555 0.781 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508078140 VCKGMBJICXNTPP-UHFFFAOYSA-N 427.509 0.549 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1539216522 UANZDQKCUZAWEK-KRWDZBQOSA-N 433.534 0.674 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1539415232 BODRCTOSYHZSTB-AWEZNQCLSA-N 426.930 0.816 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1539497379 LPPWBJLSMRQZQC-GJZGRUSLSA-N 438.583 0.688 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1=O 1555581008 BHGFHMADUCDTBF-UHFFFAOYSA-N 440.504 0.653 30 10 ICEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555804453 UGDHJBFIVXHXGD-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1556538569 ATGFRKHQSZMNJK-ZFWWWQNUSA-N 445.545 0.675 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1 1563614715 PVLKPCKDDATGSP-UHFFFAOYSA-N 432.449 0.591 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1587989890 PYBBXOWNCXTXED-JKSUJKDBSA-N 433.538 0.455 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588929416 AATQJFDZBODMGI-QRVBRYPASA-N 431.537 0.799 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595544283 GONAGYCWZCZKTI-RTBURBONSA-N 431.585 0.689 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1616346865 LQBLMFSPBNQGCT-ZZEZOPTASA-N 448.501 0.272 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCCN(C2CCN(CC)CC2)CC1)c1cc[nH]n1 1626780557 UXEYPDRZWZFQEG-UHFFFAOYSA-N 434.541 0.712 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 1636480728 WRMRIVYSUIALCG-UHFFFAOYSA-N 444.307 0.252 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)n1 1674951359 FSBGVMZKEBDHBE-NRFANRHFSA-N 426.521 0.970 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 1680227864 JUMAKDLYBZMSNG-RTBURBONSA-N 447.605 0.938 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690110391 KGVKCNDREWJLES-MRXNPFEDSA-N 436.520 0.595 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690508236 DKMWTQUITMXKSY-LSDHHAIUSA-N 425.511 0.414 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690609470 PJMLBMGKVLLWTF-MRXNPFEDSA-N 440.570 0.434 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1697922659 HMRZEQZVCOKHQX-UGKGYDQZSA-N 442.520 0.946 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1698487351 IFWUJEXNGGIBET-UHFFFAOYSA-N 431.518 0.983 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705572027 PAQVKPGGYWFHEP-CQSZACIVSA-N 437.488 0.935 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705633454 RHEOHFKXNYECQG-ULQDDVLXSA-N 438.598 0.847 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705659308 QXYYTXLIUNRMRY-HNNXBMFYSA-N 440.595 0.456 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1722293102 BODNYIFLNOWWPB-YESZJQIVSA-N 426.587 0.799 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722554335 DGOWAYCSWIILLP-ZIAGYGMSSA-N 447.945 0.753 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(=O)N(C)C 1743232485 GDRVZHRTXFSWNP-MRXNPFEDSA-N 446.519 0.729 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2C)CC1 1748977760 CAOYXVSWYYIWOF-UHFFFAOYSA-N 444.341 0.978 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1760186376 MPIJNOCKIBXYHM-GOSISDBHSA-N 443.508 0.926 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2=O)CC1=O 1853671255 SVCXMSKCTKLFFR-ZDUSSCGKSA-N 425.894 0.734 30 10 ICEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112440 GTNFLRUJXCHOQQ-GHMZBOCLSA-N 445.251 0.786 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(=C(N)O)C(=O)[C@H](N(C)C)[C@@H]1C2 2297748837 JGRMIMMCZBOWCW-WPINSWFRSA-N 426.425 0.456 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCCN3C(=O)[C@@H](O)CO)C3CC3)nc2)OC1(C)C 215694310 FKQWFPNBAFQESW-ROUUACIJSA-N 446.357 0.479 30 10 ICEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 460692371 QEHKPNOVRXIKBM-CQSZACIVSA-N 431.522 0.319 30 10 ICEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 503640685 CEZXSHXNBHFZRB-KRWDZBQOSA-N 438.575 0.980 30 10 ICEE CCOc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 539506749 NOTJATPFSUKSCE-CYBMUJFWSA-N 434.478 0.769 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 557345395 COWLSGCHLZJKDT-CZUORRHYSA-N 428.536 0.107 30 10 ICEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586863861 BZUIKFLGRIPWSN-IRXDYDNUSA-N 443.523 0.962 30 10 ICEE Cc1ccc(CC(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732465563 GZAALTHZWKPDIM-QZQOTICOSA-N 425.489 0.918 30 10 ICEE CS(=O)(=O)N[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 735062648 OGAQPMIDUXSVMA-CQSZACIVSA-N 442.563 0.436 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 758459538 ZZQXJBXUDIMHTM-CZIZESTLSA-N 430.486 0.717 30 10 ICEE CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 776438348 AZBXBKRHCDHEPU-AWEZNQCLSA-N 425.507 0.978 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 794240593 QZAGEPHVXPUVLS-LAPQFRIASA-N 435.502 0.542 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 914594449 AEPPIVCSUGWPNX-INIZCTEOSA-N 430.505 0.928 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 920432010 AEYZQXCFYYXVDA-UHFFFAOYSA-N 445.339 0.157 30 10 ICEE COCCn1cc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cn1 1084089859 ZCORSCMNBUGIRP-UHFFFAOYSA-N 447.500 0.828 30 10 ICEE CC#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1164671772 GHZDDEJQAASZRA-INIZCTEOSA-N 448.545 0.417 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1286472869 LZWOMIFTCBUMOJ-NFBKMPQASA-N 446.596 0.795 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNS(C)(=O)=O)CC1 1286474164 CTILZMKDTFMDOO-UHFFFAOYSA-N 448.549 0.267 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1290939545 PPXLMOPUBQXCLG-AWEZNQCLSA-N 428.308 0.673 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1297778005 HCPXCNAZDAIYKQ-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1300671488 JSIZCQXQMVQPDK-YVORESIASA-N 428.580 0.567 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)C1 1301556199 GHKZFFUNRQFKNE-CVEARBPZSA-N 429.543 0.429 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1315652863 AUSORZPPSAYCQW-AWEZNQCLSA-N 436.494 0.144 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1351265384 DTRBVJKXFRAFQH-HNNXBMFYSA-N 437.547 0.995 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnn(C)n2)CC1 1359030782 FSEQXJSSZXXMGS-UHFFFAOYSA-N 445.329 0.373 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCO[C@H]2CCOC2)CC1 1359040012 FBGHDCBWSPRIQJ-SFHVURJKSA-N 446.552 0.578 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359297759 AUOKWWDAKVJFEL-UHFFFAOYSA-N 433.538 0.550 30 10 ICEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1504905148 LTVKZVYCOUQQDG-RDJZCZTQSA-N 445.549 0.858 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1507680117 XUSAOBHAQHDTBW-OAHLLOKOSA-N 428.522 0.977 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509737762 TWBNKHQSMUGMND-UFOSLELVSA-N 431.497 0.269 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1540064466 UNSDOFJFWKKNHW-UHFFFAOYSA-N 431.522 0.754 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2snnc2C)CC1 1594097201 NMPPQHNXOHCXRF-AWEZNQCLSA-N 439.567 0.976 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1594961275 ABQZHVZKPXMXDC-CQSZACIVSA-N 428.559 0.396 30 10 ICEE CCOc1ccccc1[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(C)=O 1607487842 BJAJAWIOKKLYKT-KRWDZBQOSA-N 425.445 0.870 30 10 ICEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)O1 1639032736 AQRXZOWRNBFHQG-USXIJHARSA-N 437.518 0.537 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)CC1 1683326088 GMNLUZIKXNHUPH-INIZCTEOSA-N 430.571 0.785 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 1689852811 KZZPHRBKOPJPPB-PBHICJAKSA-N 446.533 0.216 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689988133 JUQLMNIREKCZRV-KRWDZBQOSA-N 440.533 0.957 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690288433 YMRGHQAADWBDBW-MRXNPFEDSA-N 445.549 0.577 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1696502156 OJJUFAQYKZQNQW-HZPDHXFCSA-N 446.489 0.870 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1705534938 WEKSAFVCTIJTQA-KRWDZBQOSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740627469 HQHHOWWALUIWAR-OAHLLOKOSA-N 444.579 0.409 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccsc2)CC1 1740695805 DOUJRLHSOLRJCM-UZLBHIALSA-N 449.602 0.905 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1740708936 GKMYRRGYTXBGAH-GDBMZVCRSA-N 442.611 0.607 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740950940 NIGIGNDYDWFKNM-INIZCTEOSA-N 425.493 0.869 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1748671950 OOKMYPWONVHYJY-HIFRSBDPSA-N 437.526 0.393 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1760189456 UTUOLYKSKIHGSM-CABCVRRESA-N 425.580 0.999 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1767823546 PAYTXMRNMRRDFP-UHFFFAOYSA-N 446.537 0.217 30 10 ICEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C(=O)C2)C1 1855009692 JNVKWRQHEOFWKC-ZDUSSCGKSA-N 426.399 0.690 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2064131971 GLCRYFGFEAHLEH-WCIQWLHISA-N 444.532 0.954 30 10 ICEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)o1 2267603747 BFQAVYKGFAMYOS-UHFFFAOYSA-N 446.273 0.858 30 10 ICEE Nc1ncnc2c1nc(NN=Cc1ccnc3ccccc13)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 2297638629 MXYYYAAHYYMFPZ-JNNRSPCRSA-N 436.432 0.014 30 10 ICEE COc1cc(OC)nc(N/C(O)=N/S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 39303872 MSZOLFNKFJFQGO-UHFFFAOYSA-N 445.479 0.459 30 10 ICEE COCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 46022172 BZAAPXOPAIDFOO-LJQANCHMSA-N 447.536 0.521 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 476678622 SVPFQRZOJLICGG-FQEVSTJZSA-N 426.477 0.217 30 10 ICEE CS(=O)(=O)NCC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 510176283 NWGBJVXNFLGSNF-KRWDZBQOSA-N 439.607 0.718 30 10 ICEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 558216774 JROCWHJKFHZLQU-OAHLLOKOSA-N 438.529 0.800 30 10 ICEE C#CCN(C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 747367779 GQZGCRPJAIAMQG-LJQANCHMSA-N 433.530 0.590 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)CC1 793440418 VUEQENMVZITVDD-XMSQKQJNSA-N 442.564 0.394 30 10 ICEE C#CCCS(=O)(=O)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 810784417 DUMGOQQFDDDPQS-OAHLLOKOSA-N 430.504 0.185 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1158229690 FIOJGMCWGRWMTM-KDOFPFPSSA-N 425.532 0.652 30 10 ICEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1302019690 JAHQUBJCZSTZEA-ZDUSSCGKSA-N 429.481 0.897 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1302312056 VFTDFEADAPSJHM-BZSNNMDCSA-N 434.541 0.842 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1358948773 LCTUWNZOFUVCMV-INIZCTEOSA-N 425.555 0.766 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358957708 YTNQAFUCLMLEOO-JXFKEZNVSA-N 440.566 0.718 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358962442 PRSYJLCRLLFXRW-CHWSQXEVSA-N 435.535 0.064 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359299243 ZSTPTNYLAGSPRH-HUUCEWRRSA-N 447.540 0.977 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359302354 DIXXVPAEQSSKOV-OAHLLOKOSA-N 438.579 0.949 30 10 ICEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)C2)c(F)c1 1456722015 BZRVWLSVKDZUIR-SDMXJPDVSA-N 448.520 0.851 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1469730897 ZMHWRLSJARKNGG-UONOGXRCSA-N 425.486 0.218 30 10 ICEE CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478682815 GIEMWJZTYRETTN-UHFFFAOYSA-N 446.537 0.176 30 10 ICEE C[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1493587277 DBKBFXIRKAEUSP-QBPKDAKJSA-N 438.554 0.776 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O 1507791168 IQSCIIXWOOQVAT-CVEARBPZSA-N 425.555 0.976 30 10 ICEE CS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1555819312 MUNMGYSBBFTKQZ-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nc[nH]n2)CC1 1557256143 ABTCVZZEICMMIG-HNNXBMFYSA-N 431.522 0.607 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 1558464833 OWQHJTXAAVODQA-RTBURBONSA-N 426.521 0.537 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1564690522 SZSXJLWFHPLXPC-SQNIBIBYSA-N 429.477 0.408 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1587766464 VKLXEXKVXBZKDE-CVEARBPZSA-N 438.554 0.081 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1594733328 RAGWPMHPTHWSHH-JKSUJKDBSA-N 438.554 0.388 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1595550486 FESVQDBLOFMNCN-LJQANCHMSA-N 442.520 0.861 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1595812108 NIMYRVQTZKYPGK-KRWDZBQOSA-N 432.550 0.957 30 10 ICEE CSC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1626655235 AIVZHFWQQFMDTI-RSEPMYMBSA-N 439.559 0.290 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1=O 1631461624 YKXGVVPJLGAYKQ-ZDUSSCGKSA-N 443.378 0.829 30 10 ICEE CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639782617 KDQWHYSWWJIFGF-OCAPTIKFSA-N 425.276 0.868 30 10 ICEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1640364785 CLVCJMHSTVRAQO-CZUORRHYSA-N 431.518 0.396 30 10 ICEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1650974979 XGFSWFLNGLZHIT-INIZCTEOSA-N 427.498 0.735 30 10 ICEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675060289 HXJJYLAPJSCFAH-KSSFIOAISA-N 430.527 0.498 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C(C)=O)CC1 1690256761 VJAAMJGBDXATRY-MRXNPFEDSA-N 441.602 0.455 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690696725 HVBPMWNUDDKFLN-IAGOWNOFSA-N 435.554 0.884 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnccn2)CC1 1690722646 QFLPFYOJNGMTJN-UHFFFAOYSA-N 428.522 0.991 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705532143 HDISDVCUYYHLCH-CQSZACIVSA-N 429.568 0.112 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1705565252 HOVRGIXPIBXREI-WMZOPIPTSA-N 449.577 0.667 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1705576845 RRBMGDFUCGWCAK-UHFFFAOYSA-N 449.558 0.361 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1705583467 YTJAZJUOHUPTCX-VGOFRKELSA-N 445.520 0.811 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nncn2C)CC1 1705781948 KXEHSGXZPBDCTO-HNNXBMFYSA-N 436.542 0.190 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1722381595 FDFYOFLZIOJKSU-UHFFFAOYSA-N 439.545 0.917 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1722844560 FVDGJVMQOREVEX-DXQAYGFFSA-N 429.481 0.023 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1724009163 BZEWLIGKYZGCFK-MAUKXSAKSA-N 438.554 0.656 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740628068 VJOWCBLRURNMHK-RIGHFQGKSA-N 438.550 0.339 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 1748206368 DQYPMMKTBRCUEF-UWJYYQICSA-N 426.477 0.573 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1748791192 PZZVYHKNLVZQHG-DLBZAZTESA-N 426.587 0.657 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749228970 GEVKCJGNWPTBJG-HUUCEWRRSA-N 432.568 0.396 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 1749304002 SFJRKGYCKAELOT-HOTGVXAUSA-N 427.527 0.183 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749734063 DSJRGBIAHRWDFT-BZUAXINKSA-N 446.595 0.785 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)NCCC)c1 1760127341 WVIZJKBPUOIVOX-UHFFFAOYSA-N 439.520 0.999 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CN(C)C2=O)CC1 1760389964 XQXPAVBPPTWNJY-KXBFYZLASA-N 438.554 0.246 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760440061 BCKJQLDPBVVMHM-OAGGEKHMSA-N 438.554 0.292 30 10 ICEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)NC(C)C 1764909842 FNBQZIXFVXVZOF-UHFFFAOYSA-N 432.554 0.762 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1769145746 YKYZOAGSWZXKHX-UHFFFAOYSA-N 425.493 0.638 30 10 ICEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1769357563 QAPJXUWDKYYZOR-UHFFFAOYSA-N 440.508 0.716 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1771111904 ACQGWIJVNYXWJJ-YOEHRIQHSA-N 429.568 0.415 30 10 ICEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)CC1 1771538377 BQYVLVHNVGRTRV-UHFFFAOYSA-N 425.497 0.797 30 10 ICEE COCCN1C(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2S1(=O)=O 1772790149 KKGCXDSAAYWXQD-UHFFFAOYSA-N 430.394 0.846 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCCN)Cc1ccccc1 2247950698 DGYAUPGMSJGHKI-UHFFFAOYSA-N 435.359 0.654 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2267272062 WPGFFFCOTKOKPT-LLVKDONJSA-N 445.251 0.788 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 105265688 RUKATGQELAFARF-QFIPXVFZSA-N 427.505 0.208 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 512710747 YYBFVKJSHXMQDS-ULQDDVLXSA-N 436.578 0.340 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 603797735 GCHBZRHVQDYCCT-OAHLLOKOSA-N 440.481 0.802 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccccc3)c2=O)cn1 732561091 GOSPTOZUVGLXKZ-UHFFFAOYSA-N 437.525 0.440 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)c1=O 770678561 PJHGPCRMSYUNGA-SFHVURJKSA-N 443.548 0.616 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(=O)(=O)NC 777049491 WDNIGUASIXQSGI-CQSZACIVSA-N 431.536 0.766 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2COCCO2)CC1 1286486811 BOOHKLFNYLPUMB-SJLPKXTDSA-N 435.525 0.383 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1286726553 FXJJRWJZQYZKOO-KSSFIOAISA-N 425.511 0.734 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286832450 LDBMTULGNZLKTN-KDOFPFPSSA-N 425.580 0.958 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)CC1 1300700091 LRSOLQZLPQCCMG-GOSISDBHSA-N 428.562 0.882 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 1310928732 UHQUPMDBAHIGIE-UHFFFAOYSA-N 428.824 0.716 30 10 ICEE CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315708451 CJRHIQIAKKSQJU-ZMMDAZFZSA-N 445.524 0.804 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359301007 OXTBTOPKEYDQBA-HNNXBMFYSA-N 440.570 0.335 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1359304562 BCLUILXEZUQCOK-UHFFFAOYSA-N 440.504 0.979 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CCO1 1505321460 QUTMJINUTWEKCN-MRXNPFEDSA-N 427.421 0.441 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1507631853 GRUCLFXHRCELRM-WBVHZDCISA-N 429.502 0.610 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccn(CC)c2=O)CC1 1507732649 IWDINRJQQYGKNF-PMACEKPBSA-N 440.548 0.987 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507753136 CHLBETBFXYANAP-KGLIPLIRSA-N 443.537 0.128 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539201140 XEIYHMZKGFMMHX-DLBZAZTESA-N 449.577 0.956 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1539430433 JYIAZIFJTQCCHC-AVRDEDQJSA-N 432.569 0.990 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCN(C)C2)CC1 1539469160 OGFYPGPIVOHZSN-JTSKRJEESA-N 448.568 0.035 30 10 ICEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540040509 WOEGPNVBUNCULE-MRXNPFEDSA-N 430.534 0.670 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 1541927674 OHHKXCQILLFOPA-JJRVBVJISA-N 430.506 0.526 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588930192 PHYZJCLPXOWXBM-CDMIOBSGSA-N 431.537 0.678 30 10 ICEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 1618705037 DQRVDPWQAFYPGQ-WBVHZDCISA-N 425.942 0.964 30 10 ICEE COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619593891 MNOOSYHDAGZRES-OAHLLOKOSA-N 429.481 0.613 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 1640201398 FAIFUISGGXZACQ-UHFFFAOYSA-N 444.491 0.990 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1643372546 QGAJFILALMWWLT-OAHLLOKOSA-N 428.555 0.491 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689929999 IYCMSZWTQXCXHY-HZPDHXFCSA-N 448.549 0.360 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1689992356 JWOWMYBEJTZNRL-INIZCTEOSA-N 426.506 0.067 30 10 ICEE COCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1698092249 NPQZTYDQXASSCB-LZICOFPGSA-N 429.525 0.839 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705569913 LFPHAELTHMFCAI-SFHVURJKSA-N 444.561 0.807 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705643104 SJZXDHYYLJOWBB-UHFFFAOYSA-N 446.577 0.868 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884793 SEFGQGQTKPLNPY-OAGGEKHMSA-N 426.468 0.867 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1722295722 LFNAVLCQAXKNCP-OKZBNKHCSA-N 438.598 0.943 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722694733 GGCQHVSYUDFFQA-OAHLLOKOSA-N 442.476 0.905 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1731009504 WOCDNBRBHMAWIO-NVXWUHKLSA-N 444.517 0.488 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740709830 MEIXFFRWKBMRPE-HNNXBMFYSA-N 442.611 0.548 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1743313820 MTRCQJJQWSPGDD-JCFLCSRNSA-N 443.508 0.541 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748825189 WIZLHYOWXDWSEC-HOTGVXAUSA-N 444.579 0.266 30 10 ICEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1748842544 LWLYBOQXFJNCLP-INIZCTEOSA-N 438.488 0.574 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1748844134 PGTAJVNHZMQOAL-KRWDZBQOSA-N 432.506 0.700 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1748979009 SUJKSOKIPILTSS-QHCPKHFHSA-N 444.580 0.992 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1760194299 FSJADCQGRLURKL-BCOMRZATSA-N 447.586 0.888 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2scnc2C)CC1 1760254207 REJAGJXWJQBSEB-OAHLLOKOSA-N 437.595 0.651 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1760567607 HOJOGQIIMLTHRX-UHFFFAOYSA-N 442.611 0.838 30 10 ICEE CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1767336514 CYEQWWAANWIMRB-LSDHHAIUSA-N 442.542 0.155 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)C1 1771357698 CRYTURIXQHLQTL-INIZCTEOSA-N 448.574 0.667 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2=O)CC1=O 1853671085 NITZEAUBIHRTSS-CYBMUJFWSA-N 425.894 0.734 30 10 ICEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1C#N 1854302198 MQQSWYMRWYIALD-INIZCTEOSA-N 430.530 0.965 30 10 ICEE CC1(C)OB(c2ccc(N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)nc2)OC1(C)C 2232256134 YPEWEHGCTLYLKZ-YPMHNXCESA-N 442.247 0.740 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628100 CZAACNBEAKMZFF-ZIAGYGMSSA-N 436.318 0.809 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 2267122547 MKMISPZFPHCSPN-JOCHJYFZSA-N 441.341 0.481 30 10 ICEE CC(C)Cn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 448488272 QIWJHHMRDWVOMA-UHFFFAOYSA-N 444.517 0.882 30 10 ICEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 480303535 BMOPSOLKOJPEOX-UHFFFAOYSA-N 435.531 0.681 30 10 ICEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)n1cnc(C#N)n1 537312908 XSHPIRJNAPLHRK-ZDUSSCGKSA-N 432.462 0.015 30 10 ICEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574144783 ODCHIXWZQLHWRJ-MSOLQXFVSA-N 433.534 0.725 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 576124012 DPOHTTJQEBTZMG-CVEARBPZSA-N 438.554 0.388 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(=O)NC2CC2)C1=O 730137349 FMJQBPOZXRVYTD-QGZVFWFLSA-N 442.545 0.836 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC)c2=O)cn1 735068874 HEKBLQWXBTULKG-UHFFFAOYSA-N 428.562 0.203 30 10 ICEE Cc1cc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n(C)n1 744571355 IFXIQKMPQJKROK-INIZCTEOSA-N 431.474 0.883 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(S(=O)(=O)NC2CCCC2)C1 782052675 ITZLXVYEJSAPRP-UHFFFAOYSA-N 440.547 0.188 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCS(=O)(=O)C1 810647234 FAMOPORRCMSQOB-KRWDZBQOSA-N 426.560 0.847 30 10 ICEE Cn1nccc1[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1130700034 NPBFLSVONUNKEY-INIZCTEOSA-N 433.490 0.658 30 10 ICEE CS(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1166227442 HTTBCPJHHBAFIU-SFHVURJKSA-N 432.477 0.800 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1286454715 OBYGYACYXSCNFM-WMLDXEAASA-N 448.524 0.946 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1297696086 GPGIVQXETWJKTP-UHFFFAOYSA-N 446.533 0.546 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1 1301585295 LDBVELMYJGMNJH-KRWDZBQOSA-N 432.550 0.770 30 10 ICEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301606850 DXUARVINAHPQKB-IBGZPJMESA-N 438.536 0.999 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1302475533 PHXRKGPFNHYIEF-FBMGVBCBSA-N 449.537 0.154 30 10 ICEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1313175804 IYTPBLBAVZJPHB-LJQANCHMSA-N 438.488 0.596 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358960398 DFTSAYXNOSIPSU-INIZCTEOSA-N 430.534 0.800 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1359281587 DRXSXWJMMLVHQI-MRXNPFEDSA-N 441.554 0.068 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1360798501 KIFZOYMQLZEUGY-QGZVFWFLSA-N 437.504 0.970 30 10 ICEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1463165533 WQXAKBKLCHCUKC-YVEFUNNKSA-N 429.495 0.523 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1504993010 BWIRFIZSTPUPHD-NSHGMRRFSA-N 447.584 0.899 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507630490 AEJSZXWXDXIVCC-KRWDZBQOSA-N 447.565 0.468 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO2)n1 1507717587 WJYOBFIOPAVIBU-MSOLQXFVSA-N 427.509 0.891 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(C)c2)CC1 1507736025 JXNZSXAQIGAUAE-INIZCTEOSA-N 429.525 0.750 30 10 ICEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1516127623 BDJQSKIHOWDGGI-GPMSIDNRSA-N 440.570 0.808 30 10 ICEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)N(C)C)c1 1544608902 YQAWCYMTGYVUOA-CAPFRKAQSA-N 445.567 0.614 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1554442189 MYTUVHUNLPEAQD-UTKZUKDTSA-N 426.477 0.573 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCOC2)C1 1555812237 BOXQMCSLZMRPOI-DLBZAZTESA-N 438.554 0.778 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593635862 BEXPJBMPCYGFLZ-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595544985 PDKFEJSGZKKFPD-INIZCTEOSA-N 428.497 0.409 30 10 ICEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1597674293 WOHMEWDBWLBCIN-KRWDZBQOSA-N 437.504 0.779 30 10 ICEE CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1615966706 OQCFVRKUPRKLPM-UHFFFAOYSA-N 426.481 0.765 30 10 ICEE COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1619600674 BIEMDBFTQXXQLK-DLBZAZTESA-N 440.508 0.484 30 10 ICEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1628651341 SPCGHHWLBVPUNY-IPLHWJFFSA-N 433.530 0.181 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCOCC1 1637129184 YPSSIAFWUFUVSA-GOSISDBHSA-N 449.529 0.902 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1690117326 CZSMJCRJKSSQBI-JOCHJYFZSA-N 427.505 0.869 30 10 ICEE CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1695905234 FROBPMCQAJDPLC-ZDUSSCGKSA-N 425.559 0.791 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705659309 QXYYTXLIUNRMRY-OAHLLOKOSA-N 440.595 0.456 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1705662322 WCMFOBPKCBVQKB-CVEARBPZSA-N 443.595 0.450 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705902852 KZCRBLFOSMMLMR-ZBFHGGJFSA-N 430.513 0.659 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1705909138 OPRJHXRMHCGASH-AVRDEDQJSA-N 448.568 0.391 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722361233 GBFFOADHEIJTAO-MRXNPFEDSA-N 431.518 0.717 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1722384385 QAMVSZRPFNCRTI-SFHVURJKSA-N 436.582 0.414 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1740550020 HLCWTQBFZZJUIR-QZTJIDSGSA-N 438.598 0.945 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC2)CC1 1740703581 XULYHOMOIRLIQI-HSZRJFAPSA-N 444.580 0.992 30 10 ICEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740781649 RUYJGGNGCDNYKA-QGZVFWFLSA-N 443.552 0.746 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1748672543 VBKVLXJWAUERDE-OKZBNKHCSA-N 438.598 0.943 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1748962521 KKSDEFKDCJOZLD-INIZCTEOSA-N 449.533 0.727 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1749536307 HGQICVVEMACDEF-CQSZACIVSA-N 431.526 0.653 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682314 RINXKXCSEVMDSE-PGRDOPGGSA-N 448.568 0.973 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1760155092 PQSBKMSDJVWCDR-HNNXBMFYSA-N 440.570 0.375 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760183627 CIDFAVQHFXOXGF-OAHLLOKOSA-N 430.534 0.739 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C(C)C)C(C)C)CC1 1760253557 FXOVNANUFXLKKO-GOSISDBHSA-N 439.630 0.762 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760522202 NPYZATHNFAASBG-JKSUJKDBSA-N 446.533 0.535 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1767897125 CGXOTNMYUQGEEQ-KRWDZBQOSA-N 444.517 0.852 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cn(C4CCSCC4)nn3)CC2=O)CC1=O 1856500681 OBOFXMWZVDJSGJ-OAHLLOKOSA-N 432.550 0.552 30 10 ICEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247881241 USMKCSUNESVXSM-GFCCVEGCSA-N 444.363 0.911 30 10 ICEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cn1 59914124 ZCORSCMNBUGIRP-LSFURLLWSA-N 447.500 0.828 30 10 ICEE N#Cc1cccc(N2CCN(CC(O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 447297146 UQBZYRWYPYSXFR-UHFFFAOYSA-N 432.532 0.525 30 10 ICEE Cc1nc(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 474713078 WORREELZBADQLV-UHFFFAOYSA-N 432.370 0.942 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 520739319 JBRDFNZPEHPAQM-UHFFFAOYSA-N 429.564 0.315 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 557685176 UYFWGXICJHGURM-DLBZAZTESA-N 447.517 0.694 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 558674128 FBHLNVPNWNTYPP-NVXWUHKLSA-N 435.554 0.600 30 10 ICEE CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CC1 782109252 YXUYAQZVQKQVPJ-OAQYLSRUSA-N 438.532 0.488 30 10 ICEE Cc1ncc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1C#N 813653011 RZUILCLIIDDMGC-UHFFFAOYSA-N 431.499 0.717 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cnn(C)c2)c1 918433651 GBGCAIVYHLDGDW-QJOMJCCJSA-N 432.506 0.530 30 10 ICEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)C1 1176711550 XNGOTFQRTSTTMR-DJPFJPOOSA-N 436.578 0.354 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1179653463 YYDFPBXQBLBTHC-YXUGBTPSSA-N 427.523 0.846 30 10 ICEE C#CCn1cc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)cn1 1192327349 BTLLILPAMQTWBV-RBUKOAKNSA-N 432.502 0.972 30 10 ICEE COc1ccc(C2(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)CCOCC2)cc1 1221450650 IBSOSYBXBGIOBH-UHFFFAOYSA-N 427.461 0.877 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286395052 LDAGAARVZGCLTG-SFHVURJKSA-N 442.549 0.548 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300492072 LPUOFMXQJURHIO-YVSFHVDLSA-N 435.550 0.671 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1300500580 BUQUGOCGEQORAQ-KRWDZBQOSA-N 448.593 0.512 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1300537133 AJMBMEBFHRXPMD-FHWLQOOXSA-N 449.577 0.745 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301479222 WSTCYSBBVGUORD-AEFFLSMTSA-N 447.584 0.656 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1301481955 RAJAEGKZYIWRBA-RHSMWYFYSA-N 446.483 0.811 30 10 ICEE N#Cc1cn(CC(=O)N[C@H](CO)c2ccccc2I)c(=O)nc1O 1304877460 SLZLABPXZOKBKQ-GFCCVEGCSA-N 440.197 0.275 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1315008033 PJFJOPVJVUZPDK-MSOLQXFVSA-N 426.477 0.573 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCC2)CC1 1359040308 ORSUIOMNMDQVLL-UHFFFAOYSA-N 428.537 0.785 30 10 ICEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1360563236 GSDFAWCVZLVOLA-VKJFTORMSA-N 426.518 0.343 30 10 ICEE C=CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1442030027 CPKWZNWRVHWDTA-SJORKVTESA-N 437.518 0.749 30 10 ICEE CCC(CC)NC(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2O1 1443045979 BRSWEWNFHYOWAK-KRWDZBQOSA-N 425.445 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3nc(Cl)ccc3s2)CC1 1464371407 UXKIHMCHFJFAGO-UHFFFAOYSA-N 434.952 0.724 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1471451229 PZWSPUAFDBDBEL-KXBFYZLASA-N 444.554 0.013 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C 1494135604 FYFSOWIYUFDKKT-LSDHHAIUSA-N 425.497 0.247 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)[C@@H](C)CCC 1507617590 WNLJOLKVVBRFPG-JKSUJKDBSA-N 440.570 0.233 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507632022 IBYLSNBFSWGWLE-FUHIMQAGSA-N 438.550 0.952 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508088099 VXNGJKQLVJVULI-UHFFFAOYSA-N 444.540 0.836 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539222347 VNNGSSLIFGDFQB-HOTGVXAUSA-N 444.579 0.234 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2C)CC1 1539470138 YIEZLFHZTYNIJL-OAHLLOKOSA-N 430.513 0.145 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539477706 WGSIZPILCGLBQV-SZMVWBNQSA-N 428.537 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1540904223 LKHHWTJEVQAXDZ-INIZCTEOSA-N 446.595 0.644 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1541943589 ZBTPUVPIBVKYLO-HNNXBMFYSA-N 445.549 0.611 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1588113304 JNBCUQXQIQICDD-UHFFFAOYSA-N 433.472 0.963 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1588124507 MVZJIXPANMIKND-DLBZAZTESA-N 442.545 0.851 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)CC1 1588750384 CSSOOLDQVGDNPQ-SIKLNZKXSA-N 433.553 0.879 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1589546882 RZAOSKSLHSHLPG-QAETUUGQSA-N 437.566 0.863 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1593696772 XTHNRWPWTYGXNJ-GJZGRUSLSA-N 444.558 0.758 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1595476588 LXKBKFXDKFNLNR-MRXNPFEDSA-N 447.565 0.517 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 1611513431 ASLUKZNSBPVJBG-UHFFFAOYSA-N 440.591 0.522 30 10 ICEE C=C[C@](C)(O)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1623918439 AMBPFCMUUNGKEB-SFHVURJKSA-N 445.925 0.695 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1624645550 RWJJMOIIICFUJL-MRXNPFEDSA-N 439.559 0.787 30 10 ICEE C#CCN(C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@H]1CCS(=O)(=O)C1 1625363013 HRFNJAKSQTVUJA-LIRRHRJNSA-N 430.498 0.611 30 10 ICEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1636512784 REACUJVWJRBVOE-KBXCAEBGSA-N 441.531 0.150 30 10 ICEE CCN1CCN(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)CC1 1639296370 SAOVLHHRXCWZFS-UHFFFAOYSA-N 445.589 0.807 30 10 ICEE C#CCn1cc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cn1 1640013023 VVHPIGMCYANZLO-BRWVUGGUSA-N 436.534 0.803 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(OC)cc3)c2CC)CC1 1644285131 IZYUTMFYHWCSEG-UHFFFAOYSA-N 431.518 0.669 30 10 ICEE CCOCCS(=O)(=O)NCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644619046 UKUKTPBDLLGIRN-UHFFFAOYSA-N 446.533 0.553 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c(=O)n1CCO 1652166601 GFIXDLCFXNAGES-LLVKDONJSA-N 440.378 0.958 30 10 ICEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705568159 IPZZTHJGTOKETE-AWEZNQCLSA-N 449.558 0.421 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1705616414 HLGRTOJYKVOCSH-UHFFFAOYSA-N 443.577 0.893 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)CC)CC1 1705636813 YXAQTUJAMGDAPM-HKBQPEDESA-N 439.549 0.445 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)CC1 1705896036 ACFUULVFGVFZOI-UHFFFAOYSA-N 429.481 0.924 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1705904742 XERCBDDOAWIZDS-MRXNPFEDSA-N 435.506 0.574 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCN(C)C2)c1 1722308485 BCYRPPAASCYFIP-QHCPKHFHSA-N 446.515 0.858 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722368631 SJBRQVTXTKIAMA-CVEARBPZSA-N 435.550 0.815 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722436354 DPMXJYIGYHYPLX-IDYLYPCZSA-N 439.520 0.801 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1722698681 KFPQJNMVFHHTOU-HNNXBMFYSA-N 431.518 0.751 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1731188732 IBVOMBXGDSIYRO-STQMWFEESA-N 430.856 0.710 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1740639880 GNCNDLBMWLRAMC-SQNIBIBYSA-N 435.550 0.356 30 10 ICEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1748794843 NKUIHSOMAMVHSH-UHFFFAOYSA-N 430.578 0.757 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1748844118 OUSFILBNQJQFQC-KPRXVCGWSA-N 440.548 0.572 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1748892598 SIPMDVJBKNJQBG-MRXNPFEDSA-N 444.561 0.996 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1760205756 IVOKSXQDGIBHDF-MRXNPFEDSA-N 425.580 0.827 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1760225867 ZHQBQKVSRCLVFZ-JKSUJKDBSA-N 434.570 0.750 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760525590 KYZWYSGULUVMKO-UHFFFAOYSA-N 446.515 0.924 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)n1 1852838212 JNBMCYQMLCGEKJ-QGZVFWFLSA-N 444.492 0.989 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)n1 2267497811 PJPMDTQTMQKTAK-SFHVURJKSA-N 439.369 0.923 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 460933679 QHSCYKLVLHWMSZ-OAGGEKHMSA-N 438.554 0.435 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 471649043 NNDMGNJNBFRWNI-GOSISDBHSA-N 430.427 0.065 30 10 ICEE Cc1nc(S(=O)(=O)NCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cn1C 482602980 IFNWUPVMDFNPKO-UHFFFAOYSA-N 430.534 0.681 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3ccnc(O)c3C2)CC1 494061232 VDMSHRFTLIDXMQ-UHFFFAOYSA-N 441.513 0.550 30 10 ICEE COc1ncnc(N(C)C)c1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 513742820 MSUGZOLPLZIBQW-UHFFFAOYSA-N 445.505 0.961 30 10 ICEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545490734 OJPSCPBLBRTECJ-HNNXBMFYSA-N 429.502 0.977 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOCC 729668807 DTGSVWJVCGNJDT-UHFFFAOYSA-N 425.514 0.623 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)CC1 733150417 JGWJAYNVJNEUGU-MRXNPFEDSA-N 426.583 0.917 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 1222481530 MSYKQENSCCKFBU-SFHVURJKSA-N 433.534 0.285 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286386927 JYFHJWDAIOAPEV-YQVWRLOYSA-N 447.561 0.962 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1286509950 ZAHVDYZZQVQYNR-HNNXBMFYSA-N 429.568 0.204 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286880343 QDFZRDDFDYCATM-DMEQXSTQSA-N 443.508 0.715 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1288160940 WIPDDEOPUZISOY-UHFFFAOYSA-N 440.508 0.330 30 10 ICEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CCOC1 1299800267 ARGGEXBZKZCVJX-LJQANCHMSA-N 434.522 0.608 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1300431560 XMCOHTYMDLURIE-OAHLLOKOSA-N 448.549 0.473 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1300465029 JMMRQDXNXCYDDW-ROUUACIJSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300490938 CUBRZKXIJMNDLY-IAGOWNOFSA-N 436.582 0.588 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1315064982 LIVJECFHXSDNDV-LJQANCHMSA-N 429.506 0.225 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C[C@H]1O 1315110646 WTKWIWKBFPHQTO-LZJOCLMNSA-N 427.461 0.328 30 10 ICEE C[C@H](CC(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1455477611 XANADYRTXAIJGE-FFHGMXDLSA-N 439.559 0.976 30 10 ICEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1461810012 BFWNKKHBDGPLEF-MRXNPFEDSA-N 447.536 0.819 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1501431707 FBFQDJGCLKPOME-NRFANRHFSA-N 425.493 0.909 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1503769011 CXXBXMCREXIMPX-UWJYYQICSA-N 444.492 0.783 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1508071561 AGSTXBIPLHGCKV-AWEZNQCLSA-N 442.586 0.974 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1519180698 YLXUBLXZHDZCOM-HOCLYGCPSA-N 443.508 0.463 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(CC)CC1 1539295782 GAVVLHGIFPHMIV-OALUTQOASA-N 449.625 0.377 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540858390 UWMNZWKQZCAFTD-INIZCTEOSA-N 438.554 0.246 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1540863184 QUUDHZXRRUDWNR-GOEBONIOSA-N 440.570 0.443 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 1561296881 YEPBDOLUIXSMSP-UHFFFAOYSA-N 427.939 0.791 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1588024574 HAFJIGCYGXGMNQ-QGZVFWFLSA-N 445.549 0.428 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588074772 RJPQIFFGCISZQS-IAGOWNOFSA-N 425.555 0.162 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 1588851794 HUTWDSZOUFQZFZ-LJQANCHMSA-N 436.578 0.677 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595804911 IBRIBXMYIRQSIQ-FUHWJXTLSA-N 438.598 0.430 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 1631331381 XFHNDMOSHGVNKC-BHIYHBOVSA-N 430.530 0.631 30 10 ICEE COCCN(CCOC)C1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1640612390 YAQLYJZKKGQGBC-OAHLLOKOSA-N 438.550 0.309 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)s1 1664284757 FZNUYLKPQBSYHF-UHFFFAOYSA-N 426.545 0.961 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1690661340 ZOYVHXKIOKOQOV-ZBFHGGJFSA-N 440.570 0.443 30 10 ICEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1696618584 FTGBHPYDDAVJJR-FQEVSTJZSA-N 425.537 0.916 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N[C@H](C)CC)CC1 1705647454 GOPFEXLFNRMRDW-WBVHZDCISA-N 443.552 0.500 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1705844031 URFVQNZDPRWMCM-AWEZNQCLSA-N 425.515 0.557 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)CC1 1722437975 RLQUBIZXNZVLLH-DYESRHJHSA-N 435.594 0.877 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCOC)CC1 1722566362 QEDQVPPNAGDSAD-VQIMIIECSA-N 443.570 0.555 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1NC(=O)CC1(C)C 1722640912 UUXZESUPKKNQEI-KBPBESRZSA-N 426.543 0.148 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1729409081 WWINEKDACBPYKO-MRXNPFEDSA-N 431.522 0.677 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCOCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740615607 HVFSJSFBOQZLKS-HNNXBMFYSA-N 446.595 0.264 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1740700078 DZIVAAZOGCLCNW-OAQYLSRUSA-N 434.610 0.778 30 10 ICEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 1740967302 CITGJDAPOCEEFK-KRWDZBQOSA-N 440.504 0.575 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748812628 YHTGUWPYFYMOLI-INIZCTEOSA-N 447.565 0.610 30 10 ICEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749109356 JKAAKKNNCCHOMR-CHWSQXEVSA-N 442.314 0.669 30 10 ICEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1760171052 GFZQKIPQRQPIRX-UHFFFAOYSA-N 442.501 0.603 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1763138733 XFEVRDVFBWECIB-VAMXVVNJSA-N 448.549 0.799 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1764562437 AQHAUOVQTMDCHP-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1768153149 DBQNFEICGMLPPJ-CRAIPNDOSA-N 426.543 0.778 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#CCN1CCCC1 1852166420 BBUZDVKIUAAIBR-UHFFFAOYSA-N 435.546 0.935 30 10 ICEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870350224 VTXDCTDLLOGTIF-UHFFFAOYSA-N 428.489 0.222 30 10 ICEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC[C@H]3C#CCN(C)C)ccc2n(CC)c1=O 1890760726 SWXCSWUWJTYXQO-MRXNPFEDSA-N 432.546 0.921 30 10 ICEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1OC 1891533380 HSTPASOHEPYYPL-LBPRGKRZSA-N 447.473 0.696 30 10 ICEE C=C(CS(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905795 VWTDDZLHXSTYIW-UHFFFAOYSA-N 445.347 0.568 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)n1 2255606562 SURSVPONXYTRFN-BETUJISGSA-N 433.318 0.948 30 10 ICEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264759 WIXFHMGHHODNHW-MNOVXSKESA-N 445.251 0.786 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870661 GQXCODGJMPHSEQ-UHFFFAOYSA-N 448.329 0.878 30 10 ICEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)CC2)c1C#N 518850386 CIXDLXZSZFOQNN-UKRRQHHQSA-N 426.568 0.873 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c1 543109826 WBCOEXCKMMNCGN-KRWDZBQOSA-N 431.518 0.805 30 10 ICEE COc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnc2c1cnn2C 543268508 PAPCFZBDVCNUAD-UHFFFAOYSA-N 440.485 0.995 30 10 ICEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)c1 548151126 GZASDQNGRKHZAO-UHFFFAOYSA-N 440.569 0.444 30 10 ICEE COc1ccc(CCN2C[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)cc1OC 568436383 JXVWCCHXSIBDMD-QGZVFWFLSA-N 428.489 0.679 30 10 ICEE C[C@@H](NC(=O)c1ccccc1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 681341384 YKTBITNRUXNRMA-QZTJIDSGSA-N 434.496 0.859 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)CC(F)(F)F)CC1 726947788 GQCIYTVXUCIYID-UHFFFAOYSA-N 432.424 0.785 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 763437049 YITUZYWORCCSMJ-KRWDZBQOSA-N 426.542 0.989 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c(Br)cnn2C)c1=O 782784649 XPRHSNKKLCGPLI-UHFFFAOYSA-N 448.346 0.458 30 10 ICEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1136109467 ALRFMVJLCQTPLU-UHFFFAOYSA-N 442.493 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1286297414 WJQIEKTUOJHYFD-LSDHHAIUSA-N 438.554 0.115 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286380275 GNUOUPRUMOPLQL-ROUUACIJSA-N 448.593 0.483 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286388163 YXBAYXVTXLTNRQ-OXQOHEQNSA-N 433.534 0.754 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1286410781 WLAARVHQOIVQBB-LJQANCHMSA-N 439.541 0.855 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC=C 1286523290 SRUMTTCCJUNBLJ-CRAIPNDOSA-N 426.564 0.773 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286791461 ZXCKSQHAPNWSIG-KRWDZBQOSA-N 440.552 0.937 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1288524302 BRPOQYJIRWPHOJ-GJZGRUSLSA-N 441.558 0.218 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1300281841 DSMALQJPKSEDDW-AWEZNQCLSA-N 439.563 0.698 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1300521421 WUJFBJAYFAHLJF-GOSISDBHSA-N 431.504 0.714 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301508598 NNTBWJHKCLHWET-UHFFFAOYSA-N 440.552 0.913 30 10 ICEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1304011136 NRKWZWDRCUVJIV-MRXNPFEDSA-N 441.492 0.851 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1316359462 HLXWYVXDQDQERC-CALCHBBNSA-N 448.505 0.230 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCC2)CC1 1359044670 LNDDPXFLYMSANV-QGZVFWFLSA-N 427.553 0.679 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359306821 RGLRJJVBDIMTPM-LNLFQRSKSA-N 434.541 0.657 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1461992101 BCYNKQGZUJKLEZ-LJQANCHMSA-N 443.529 0.904 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1471450685 GYQFPLGHOQUZAS-INIZCTEOSA-N 430.571 0.880 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 1471451847 ZTOZLIUJGUDREM-UHFFFAOYSA-N 433.509 0.783 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 1478203197 ATUBXESTCWAXKA-UHFFFAOYSA-N 430.534 0.784 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507634174 WYRZZZZBMACYHM-HZPDHXFCSA-N 444.579 0.581 30 10 ICEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539119626 ZEDPOAVOULSPEL-ADLFWFRXSA-N 432.477 0.751 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1539368983 GETMKXPDCNBCDT-IKGGRYGDSA-N 425.555 0.743 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1539538082 BPNBAHAIAVZXHT-MAUKXSAKSA-N 425.555 0.812 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1539615134 GFQJUOFBICXCPA-ALYAQQCSSA-N 443.570 0.720 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1539629745 YEORJELVRHEIOI-QFBILLFUSA-N 429.525 0.955 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1543482285 FQDDSAJHTCKSDX-CJNGLKHVSA-N 436.476 0.472 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2=O)cc1Cl 1544634259 SSNYKFLPBXJNAF-XOBRGWDASA-N 432.864 0.309 30 10 ICEE CCN1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1547698503 KGKLRCBBWWJNBK-OSCRUYLVSA-N 443.508 0.715 30 10 ICEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1555131971 FRFCZUWKXVDSRL-PRLABOORSA-N 426.543 0.822 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1561868422 CQKXUGGIOZNZLD-UHFFFAOYSA-N 447.336 0.095 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2cccnc2)cc1 1587181190 SGPBNSWRWPQKCP-MSOLQXFVSA-N 431.470 0.388 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587831426 OITHGOABMOPCMR-QGZVFWFLSA-N 426.506 0.958 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588128514 NGDDZLVTGMYTAG-MRXNPFEDSA-N 437.504 0.557 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1588233798 RCCCQSINVCLEAE-KRWDZBQOSA-N 435.550 0.379 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589047744 HRIRWUMMHXVZOE-UHFFFAOYSA-N 428.522 0.566 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)C2=O)cc1 1634918798 OAGPIIQDADMDDN-SFHVURJKSA-N 446.529 0.648 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ccnn2C)C1 1644325020 PEZOEBNDDJGTKV-OAHLLOKOSA-N 431.518 0.603 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1692541074 VKDLETOIELBFDG-ZWKOTPCHSA-N 431.541 0.788 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1705626829 KHCKVLQNTQBFEX-OAHLLOKOSA-N 449.533 0.917 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705634973 NVLUPOOKFKGAFH-NYVOZVTQSA-N 433.553 0.614 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705634974 NVLUPOOKFKGAFH-QIJUGHKUSA-N 433.553 0.614 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CC2)N(C)C)CC1 1705647322 FBRJDWJJGUPJGM-ROUUACIJSA-N 427.553 0.535 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@H]2OC)C1 1705914749 FDKGWPAOKRZKIG-YLFCFFPRSA-N 443.570 0.721 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1722367572 WMQOJABXEVUOPT-QGZVFWFLSA-N 440.533 0.560 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H](O)C2)CC1 1722450198 YSHNPFSZZDWNPE-PKOBYXMFSA-N 442.564 0.917 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1722528433 GIMXTPPTXXPRKA-CQSZACIVSA-N 428.559 0.443 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)CC1 1722566213 MPUOJOJAHXNVGV-MRXNPFEDSA-N 429.543 0.166 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 1722640652 QGGBAMNEVLWQQK-CVEARBPZSA-N 429.543 0.429 30 10 ICEE CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1728601197 CYRNCRMZCVIAQP-QGZVFWFLSA-N 440.600 0.853 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1741133406 QKRRITRBYDZMNL-QWHCGFSZSA-N 436.485 0.836 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749663558 JNNRRIPKQYTWOI-UHFFFAOYSA-N 438.540 0.427 30 10 ICEE Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751927019 RANQHKFUUVWHTD-ZCXUNETKSA-N 425.449 0.668 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760545084 NFKQXBLYHABYIP-OXJNMPFZSA-N 433.534 0.979 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3OC)[C@H](C)C2=O)CC1=O 1856863293 JXJSDUQVQRFQKZ-CABCVRRESA-N 435.502 0.478 30 10 ICEE C[C@H](C(=O)O)N(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 1866332371 RDYPMXJCDIURMN-IUODEOHRSA-N 435.458 0.301 30 10 ICEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247875843 DDOGNZAWKFCARG-LLVKDONJSA-N 445.351 0.306 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 438296266 CXFJYWDSLSHUCG-UHFFFAOYSA-N 446.533 0.728 30 10 ICEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462090443 KGODNFSHDHAQGO-INIZCTEOSA-N 440.508 0.830 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 508496563 ZQNAAQQRYHEEDZ-HNNXBMFYSA-N 437.526 0.872 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C[C@@H]1CCCO1 536117327 RCCJDPRXCYEOOG-ZDUSSCGKSA-N 444.469 0.255 30 10 ICEE COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)cc1OC 770077049 BVAUASMFUURBBA-SFHVURJKSA-N 447.469 0.773 30 10 ICEE C#CCn1ccc(CN(CCOC)c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)n1 788558412 HOTSADWBHXLVFV-UHFFFAOYSA-N 426.520 0.220 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)n1 795188590 LNKQCKJRTIDAMI-UHFFFAOYSA-N 440.547 0.570 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 810646890 WNJJXWKCZQOZEV-CYBMUJFWSA-N 449.348 0.376 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccn(CCN3CCNC3=O)n2)ccc1F 1134183206 KSWROCGBXJXFNI-UHFFFAOYSA-N 436.469 0.764 30 10 ICEE CC(=O)N1CCN(C(=O)CCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1144512727 ZXUDCKFVEAHBQL-UHFFFAOYSA-N 434.537 0.834 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)Cc1ccon1 1286300007 LBQMMDLWBXEPBL-OAHLLOKOSA-N 429.506 0.829 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286382336 QWXQOBLXGNHLCW-MRXNPFEDSA-N 437.566 0.860 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286418548 LZHVAQPYHBVGAD-NRFANRHFSA-N 428.514 0.966 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286511243 HLQIPDJWHSYXPS-IAGOWNOFSA-N 432.550 0.866 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1286822074 YSPPJGWIFQMMOS-UHFFFAOYSA-N 442.538 0.844 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1296663708 JRAWLSCZEHSPIM-NQIIRXRSSA-N 434.541 0.771 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1298206558 NRBODSZVJHNQBS-UHFFFAOYSA-N 426.477 0.549 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301567368 HTBDTEPZFIUZOV-QWHCGFSZSA-N 427.483 0.131 30 10 ICEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1301966971 XRJIITSAIBPODG-HUUCEWRRSA-N 429.543 0.538 30 10 ICEE CCOC(=O)[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC12COC2 1303335700 ZDZPMJCWUHVXHS-IRXDYDNUSA-N 440.456 0.801 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)CCO1 1309504640 CFMRICJYRYUFDJ-SMDDNHRTSA-N 436.303 0.798 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1313310741 LRANFNWCAALJLB-UHFFFAOYSA-N 427.552 0.443 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1359031374 ZOUMHPRQUBIIFX-REWPJTCUSA-N 446.596 0.532 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359334086 SEJOCDDJNXPVIV-KRWDZBQOSA-N 430.534 0.676 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1497114695 XAYDFTKBGBLOPC-STGLLQLASA-N 445.524 0.948 30 10 ICEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538540094 RANPKUQVZQGKCQ-KSSFIOAISA-N 440.547 0.210 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C 1539370288 UFGCISPCOAGEHH-INIZCTEOSA-N 440.570 0.233 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CC)CC1 1539477678 VMBFFLWVIMRZCK-ROUUACIJSA-N 427.553 0.679 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540874259 ZTJSGUVDNQJZPM-QWHCGFSZSA-N 430.431 0.859 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1540875378 JTLOOQAHCOZHMU-UHFFFAOYSA-N 428.493 0.870 30 10 ICEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1541137778 DFMZCFWDRLBODU-ACJLOTCBSA-N 426.518 0.784 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1541925540 DZHPJKCSVOVDTP-VNQPRFMTSA-N 426.543 0.558 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1588159485 XITJJOACSONJOP-HNNXBMFYSA-N 431.543 0.777 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1588985133 OPPVMHGGMNTDTD-HOCLYGCPSA-N 442.611 0.559 30 10 ICEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1595393118 INCAJRFFFAUFAB-PKOBYXMFSA-N 426.521 0.977 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1611686317 DPFSUCRPTNKFOB-HDMKZQKVSA-N 443.549 0.177 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 1615210042 ZWXRJZSVNJMSPQ-UHFFFAOYSA-N 431.436 0.877 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 1632960684 LYGKQEHWACOXHX-UHFFFAOYSA-N 434.499 0.764 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1690019394 HHTYMMFMPFTOGQ-KRWDZBQOSA-N 435.513 0.882 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1690527784 TWNGTVQYEORERQ-ZDUSSCGKSA-N 425.515 0.421 30 10 ICEE CCCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1695280071 WMFGGQPYAGGHPB-MAUKXSAKSA-N 444.533 0.870 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722368559 RXSKVDQSTANBDT-LSDHHAIUSA-N 447.521 0.180 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1722699086 RGRAMJPLCWCNST-OAGGEKHMSA-N 440.570 0.396 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1729526323 TWXKEPSDPZCVIH-NXVVXOECSA-N 438.554 0.973 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1740671393 GKWPHEBXLZBAGD-BEFAXECRSA-N 437.522 0.571 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)CC1 1740688329 DNAKHSNPNDSWAX-IBGZPJMESA-N 430.553 0.713 30 10 ICEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1748950074 KKZCVJCLVYKHPD-FXAWDEMLSA-N 440.566 0.839 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)N(C)C)CC1 1748984444 MYVVKFNMUOLCPX-UHFFFAOYSA-N 446.533 0.320 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749629782 DKTCMBAGORFOET-LBPRGKRZSA-N 439.460 0.691 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1749664103 GIYCHSWZWAFRAI-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1752446423 ALQBRXVFUZHQQM-OYHNWAKOSA-N 440.504 0.827 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1760210587 UEUCVVVRIVTQSS-SQGPQFPESA-N 435.550 0.689 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 1760389962 XQXPAVBPPTWNJY-DNVCBOLYSA-N 438.554 0.246 30 10 ICEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)CC1=O 1856472419 CPZIFBCTIFZCAL-QAPCUYQASA-N 437.562 0.580 30 10 ICEE C=CCNC(=O)NC(=O)C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882608787 CDZGFIXLLKJLCS-IZPCHGGPSA-N 425.463 0.517 30 10 ICEE CCN1CCN(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)C(=O)C1=O 1890359052 YPHHMWHHQSDIHS-UHFFFAOYSA-N 447.580 0.308 30 10 ICEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 467667254 LDMFAVNJVXYOKM-HZMVEIRTSA-N 425.551 0.341 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CC1 553803644 CXQPQSWHRUOAIC-ZDUSSCGKSA-N 428.514 0.611 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)c1C#N 572027183 SXFSVRXDFJEVNW-SFHVURJKSA-N 435.488 0.171 30 10 ICEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730144645 PKICSKBXGQKKEA-XAIYEJPOSA-N 441.579 0.222 30 10 ICEE CN1CCN([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2cccs2)CC1 732440986 BHKCMIPKCJPHDH-IJYGLTAASA-N 432.550 0.862 30 10 ICEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 760320299 WEGKJUHRQBCGQF-LSDHHAIUSA-N 446.533 0.657 30 10 ICEE CS(=O)(=O)c1cccnc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 787714068 VDUDPRVWSUOFHI-UHFFFAOYSA-N 436.515 0.620 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 917356847 UKIOTXDKFWNPSK-MRXNPFEDSA-N 443.573 0.859 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1c[nH]cc(I)c1=O 1155568040 ZXDNVFFFWCTKGF-OWBHPGMISA-N 428.186 0.835 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286387233 OWIQOEXMOPRFLO-JMGYQRAPSA-N 433.559 0.878 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1286549399 VEUZQCMIISFKLG-HKUYNNGSSA-N 446.552 0.790 30 10 ICEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286675976 FIYBNGVGFKMQRN-UHFFFAOYSA-N 448.568 0.924 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286818834 PVNDEHGJRSQMLF-GOSISDBHSA-N 433.494 0.367 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1300312378 ZGZWKIKYWNMGEF-MELADBBJSA-N 433.481 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C=C)CC1 1301568381 FXGQPEMSJODEIQ-AWEZNQCLSA-N 431.584 0.892 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCOCC1 1316207315 VZTFJNNJPYCONQ-SJLPKXTDSA-N 434.541 0.720 30 10 ICEE COCC(COC)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1468984248 FCKHQLJFFHIVGP-OAHLLOKOSA-N 438.550 0.309 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CCO2 1471325479 FURWUOABVLOATH-ZGOJQLDESA-N 430.509 0.933 30 10 ICEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc1 1476012551 MHCHBNSDEKDSBA-UHFFFAOYSA-N 443.551 0.724 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507635328 RWYGOIHCOSQLDT-ROUUACIJSA-N 431.518 0.306 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1519180672 YLXUBLXZHDZCOM-GDBMZVCRSA-N 443.508 0.463 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1540200678 GZHASFNFAUIULJ-MRXNPFEDSA-N 440.526 0.595 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCN1CCN(c2ccccc2)CC1)c1cc[nH]n1 1540697933 VGHPWBNEJZSOFJ-UHFFFAOYSA-N 428.493 0.632 30 10 ICEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1546793302 HVDOQOLASJUZRC-KKSLTYSGSA-N 449.581 0.754 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 1558599579 SGJCSYBKKGRISU-UHFFFAOYSA-N 434.474 0.017 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC 1588124799 RMRMJNHHBRPALD-UHFFFAOYSA-N 448.574 0.746 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1588387068 RKZOYYJFGVKQQQ-HOTGVXAUSA-N 445.536 0.996 30 10 ICEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1627057456 DRUQDJGQVYAJHL-INIZCTEOSA-N 449.577 0.674 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C[C@H]1CS(=O)(=O)C2 1645267893 RNNPETCNKPEKIS-FJXLLPKBSA-N 437.518 0.365 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)ccc1F 1651416514 BOQBLPSUVSYCJG-AWEZNQCLSA-N 426.466 0.942 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C2)c(=O)nc1O 1681116546 ZMLNKMBXVIGMBO-HNNXBMFYSA-N 446.826 0.985 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1690001533 LSWQDJFPWLPTGC-ROUUACIJSA-N 436.582 0.462 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690124178 HAFNVBZEUZZNEL-MOPGFXCFSA-N 430.553 0.770 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690675979 LONVGXXCQSVHCE-INIZCTEOSA-N 437.497 0.922 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690723196 KYTLYSPAIYJSJH-WBVHZDCISA-N 447.565 0.633 30 10 ICEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1696583740 HVSJDTGYWFZSBK-UHFFFAOYSA-N 438.536 0.505 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1705583074 PMTCXARMTUSIFP-ROUUACIJSA-N 436.582 0.414 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705662437 YTLJTLAVXFUFAK-KGLIPLIRSA-N 432.593 0.170 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705734936 FMTIECRYLGVJOJ-GOSISDBHSA-N 445.568 0.566 30 10 ICEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)nc1 1712880793 HDHLMIJUTICWSO-HNNXBMFYSA-N 446.462 0.757 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722281260 IFLFTHKDSNHJDE-IAGOWNOFSA-N 449.519 0.874 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]1(C)C#C 1722462167 SKACRRWYSUQRFT-VQIMIIECSA-N 437.591 0.970 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740952243 YHICKQBYTMXHTC-CABCVRRESA-N 442.586 0.974 30 10 ICEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1741006294 FTZMAAURIMQQPO-XHSDSOJGSA-N 425.555 0.873 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1748639449 HLPXLZMVRVGRKH-ZIAGYGMSSA-N 426.543 0.825 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)CC1 1749014054 DAZGYGFMDBSWPY-WMZOPIPTSA-N 449.577 0.573 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC)CC1 1749016357 BTDHKJZMWNHFMA-UHFFFAOYSA-N 444.561 0.664 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 1749721612 PIDNQUDKQKISBX-HNNXBMFYSA-N 434.522 0.999 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1760233878 QFXDKPPHFKMGRM-GOSISDBHSA-N 429.546 0.999 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)CC1 1760381892 CVIUHIVTMZCRGL-CQSZACIVSA-N 434.588 0.373 30 10 ICEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760450216 GMTUPALJZDUSMW-GOSISDBHSA-N 448.568 0.938 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1=O 1771135630 DMACNXHTLDXBPK-UHFFFAOYSA-N 437.504 0.638 30 10 ICEE CCc1nc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)sc1C(=O)OC 1872796351 WHPJLFOTSDYZMN-UHFFFAOYSA-N 436.515 0.852 30 10 ICEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244275734 DPIVIPSYZDWBHI-AWEZNQCLSA-N 429.514 0.657 30 10 ICEE COCCCn1c(=O)/c(=C/c2ccc(OC(F)F)c(OC)c2)s/c1=C(/C#N)C(N)=O 61887951 WPXGPXDDUVBRQM-ROILPVHTSA-N 439.440 0.545 30 10 ICEE CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 110093600 CEPJJJQHFNMWAP-UTKZUKDTSA-N 446.529 0.997 30 10 ICEE CC(=O)N[C@@H]1[C@H](ON=C2C(=O)N(CCC(C)C)c3ccc(C)cc32)O[C@H](CO)[C@H](O)[C@H]1O 254735635 ONWZAILBZBASBJ-GCPWLZLNSA-N 449.504 0.052 30 10 ICEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512695955 XHUZQXLOXITWQD-LJQANCHMSA-N 436.582 0.902 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)c(F)c3)c2=O)cn1 735069172 QWZZGSYJBPXQEW-UHFFFAOYSA-N 441.488 0.902 30 10 ICEE N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)s2)CC1 1118368303 IPZBFHUDLCKELI-UHFFFAOYSA-N 442.501 0.144 30 10 ICEE NC(=O)C1CCN(Cc2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1142255946 SROZELBSRBEQBJ-LNVKXUELSA-N 439.516 0.917 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1157009681 RXCJHOWXGGAXKY-UHFFFAOYSA-N 446.851 0.647 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)cc1 1264645114 LFRCLNALDGBLJY-BYFYWULKSA-N 428.536 0.910 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389775 QKJDGJFDMZFICB-QGZVFWFLSA-N 429.550 0.848 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286392402 BPXHBNKTYZNKLR-IAGOWNOFSA-N 435.550 0.596 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1286815278 QHYGYTMWYKUSTE-IBGZPJMESA-N 442.545 0.938 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)CC1 1300725069 FULFUQYEYYQVQM-DLBZAZTESA-N 435.550 0.325 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301483850 XEAWTVBRNCVNGS-CQSZACIVSA-N 428.493 0.931 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1352617971 BJYZQFHUYDSUNS-QGZVFWFLSA-N 437.518 0.762 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1358918609 AJXQWTJNMBTXEQ-OAQYLSRUSA-N 427.509 0.742 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1358976373 BIHICMHTRGIMKJ-UHFFFAOYSA-N 427.472 0.947 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1358979092 CBVRELVXNKNJPQ-INIZCTEOSA-N 434.547 0.497 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C2CC2)CC1 1359045373 FGLDLIQJXNPCJL-ZWKOTPCHSA-N 449.577 0.571 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359222507 KFUKTJCIOFJHGV-KDOFPFPSSA-N 426.543 0.340 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630737 GPPRDNMAVOONRF-IEBWSBKVSA-N 444.561 0.688 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC)CC1 1507733408 XTZYGXLHAIFAOL-IRXDYDNUSA-N 425.555 0.192 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2conc2COC)CC1 1507733588 DZHVQHHSJVJACO-UHFFFAOYSA-N 443.508 0.565 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508159725 PJKWLSDKMMXUFV-MRXNPFEDSA-N 449.581 0.723 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccncc2)nnc1N1CCC(CO)CC1 1521423972 ZQDKUYCKRSNLBP-QZQOTICOSA-N 437.504 0.999 30 10 ICEE N#Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc2n1CCOC2 1539545728 LVVGXAXYCBVCBY-UHFFFAOYSA-N 435.437 0.697 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@@H]2C1 1540907530 ZLACYQGMXJDZTP-QGZVFWFLSA-N 436.582 0.676 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1552884367 ARBSNXHUIGOSOY-INIZCTEOSA-N 431.522 0.410 30 10 ICEE CN1CCN(c2ccc(CCNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 1559046843 VGXGPTALWYHPGA-UHFFFAOYSA-N 441.557 0.947 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588049975 OOYSOTFPSVUQHD-SFHVURJKSA-N 431.566 0.791 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1588806198 JCTFVPSSACMVLE-KKIUXKEOSA-N 440.573 0.911 30 10 ICEE CC(C)(C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691111021 XDMQRXWPACZYAC-DVEDPGPFSA-N 429.525 0.623 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1697921678 ABXPGDMIBLQRGE-OXQOHEQNSA-N 449.533 0.865 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1698317777 QGORZXZMTSCOKW-HXUWFJFHSA-N 443.533 0.615 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1705566266 MRRXVRXYCATIBB-MSOLQXFVSA-N 443.529 0.397 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1712641259 FKCGLLIIXCFVCE-RLFYNMQTSA-N 426.543 0.681 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740616098 SHZMWYALIBOCJF-AWEZNQCLSA-N 431.584 0.142 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1744090952 KRIWVDNIQKFZGD-WBVHZDCISA-N 428.541 0.652 30 10 ICEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748771194 IOLXFZRJTOLISB-GCJKJVERSA-N 432.569 0.942 30 10 ICEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749291897 KKAHEKXGPZCJCA-MOPGFXCFSA-N 426.539 0.636 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1749457744 POZRHULRSASDMS-OAHLLOKOSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682313 RINXKXCSEVMDSE-GCJKJVERSA-N 448.568 0.973 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)NC)CC1 1760555886 PXTYDTUZZNNBAF-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1770744014 DGGPUBJURYDJDE-QGZVFWFLSA-N 443.533 0.948 30 10 ICEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873561914 FSVQWJFQRPZISL-UHFFFAOYSA-N 428.537 0.576 30 10 ICEE C=C(CO)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2069385202 KSDTVMYGKXHKCB-PSOYPTMXSA-N 438.429 0.160 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](O)C1 2255631897 GCHRYDIWOIHOCX-CYBMUJFWSA-N 436.318 0.763 30 10 ICEE O=c1c(Cl)c(NN=Cc2ccccc2S(=O)(=O)O)cnn1[C@@H]1CCS(=O)(=O)C1 2322614661 MHUZAMXZNXIDOQ-LLVKDONJSA-N 446.894 0.949 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2/C=C\C(=O)c2ccccc2)O[C@H](CO)[C@H](O)[C@H]1O 263628956 KUVKOKYHHVKVFE-SAXCOFORSA-N 427.453 0.905 30 10 ICEE Cn1ccc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)n1 441163038 CUPNMJKUIIURAW-KRWDZBQOSA-N 428.518 0.794 30 10 ICEE CC(C)c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 441651887 YUYBLAQYJDSXTM-UHFFFAOYSA-N 431.474 1.141 30 10 ICEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@H]1CCS(=O)(=O)C1 521421157 VBRWZBLEEYZEHM-CVEARBPZSA-N 445.563 0.894 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2CCS(=O)(=O)CC2)CC1 533753571 HGSXSYGPVKEJFD-UHFFFAOYSA-N 440.547 0.399 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCCN1CC2 773532571 OTFRNVYXCMOUHL-QGZVFWFLSA-N 433.578 0.792 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)cc1C#N 804084332 SLRKWIVSVIWZJR-UHFFFAOYSA-N 436.516 0.907 30 10 ICEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1195464718 ZKGFYRKRNJJGDO-UHFFFAOYSA-N 435.546 0.882 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(CC)CC 1286296449 OTQMLLHVRFRMCU-SJORKVTESA-N 426.587 0.801 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1292889588 GXOMIRMXTINAGP-UHFFFAOYSA-N 433.509 0.036 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCOCC2)CC1 1300680947 HCPHJKSFGJALCE-UHFFFAOYSA-N 430.553 0.713 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301474634 DHGKNGUHZPJCNZ-OAHLLOKOSA-N 429.525 0.311 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1301510206 URASWKRXYRFWLU-JOCHJYFZSA-N 442.495 0.940 30 10 ICEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)s1 1304201225 XEMLSBIBCDKTKH-UHFFFAOYSA-N 441.531 0.527 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1304270314 DPWGNFHAALPDBL-IQGAEYHTSA-N 439.534 0.657 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359216093 OZJHAALKNGSKMR-LSDHHAIUSA-N 436.538 0.619 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359298120 NTFMDKMLGYCOOR-UHFFFAOYSA-N 433.538 0.503 30 10 ICEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1457026729 FSVITTMDPZZFNH-HNNXBMFYSA-N 434.453 0.136 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1461048430 CHBJBLMHMVCYGD-WMZOPIPTSA-N 439.509 0.999 30 10 ICEE CCN1CCN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)CC1 1473824422 ILRNKIJODBFUKO-UWJYYQICSA-N 431.562 0.637 30 10 ICEE C#C[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C1CCOCC1 1477805765 SYXHLZJEWBBBDN-LBPRGKRZSA-N 436.314 0.639 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507752513 ZSQYNENLRIJXIX-INIZCTEOSA-N 440.577 0.891 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1539239757 QLWUCSHVJCGKDV-JKSUJKDBSA-N 429.502 0.801 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)c1 1539962682 ZSSRPEJWGGJQNA-MRXNPFEDSA-N 425.463 0.889 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540871294 IJCHJZWPBDEKBK-HNNXBMFYSA-N 442.480 0.714 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)F)CC1 1540901971 WKYDORANXNHQLN-UHFFFAOYSA-N 429.497 0.667 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CCC2)CC1 1588732853 HXUHYXQOEZZVBW-HKBQPEDESA-N 441.561 0.982 30 10 ICEE CC(=O)N1CCN(c2cccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)CC1 1668875333 HSDPUTXDMFDDOR-JXFKEZNVSA-N 431.518 0.757 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1690093652 GDENCMKAXDLVHQ-HOTGVXAUSA-N 435.554 0.748 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1690113982 ZKZGVNMVESVXTI-JOCHJYFZSA-N 432.569 0.848 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690659061 IOOLWJYWCGWJAC-HNNXBMFYSA-N 440.570 0.512 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1705581706 JKYOUQBDNHPKEQ-QGZVFWFLSA-N 437.591 0.624 30 10 ICEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722334007 RFZKWPDOBPUMAN-LJQANCHMSA-N 430.553 0.914 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722362451 AXOVFAVJTKKZIB-GDBMZVCRSA-N 443.595 0.705 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(C)CN(C)C2=O)n1 1722429175 IEMQFZFWDKNSAL-VGOFRKELSA-N 441.536 0.743 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)CC1 1722438288 VBOVLHOZXBLRQI-QGZVFWFLSA-N 436.582 0.556 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 1722718888 OJPSFSJAQSCWNS-CVEARBPZSA-N 443.570 0.553 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O 1740954302 IDYDHHCHIHYIDU-UHFFFAOYSA-N 432.506 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1740992161 BXQSHWINWNODJJ-UHFFFAOYSA-N 446.533 0.944 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748804877 MEJPIAVPUZFQTC-OKZBNKHCSA-N 438.550 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCOC[C@H]2C)CC1 1749009392 QRIOLIUQPDLJEF-QGZVFWFLSA-N 425.537 0.960 30 10 ICEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cs1 1751774086 ZFLKEQQPUCTBKC-GOSISDBHSA-N 436.563 0.923 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760510284 PKMFSKODSVVBKV-INIZCTEOSA-N 440.570 0.492 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760522997 JAEWAGCIZKSLPI-QGZVFWFLSA-N 437.508 0.756 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1760554757 LYQAACKVPXYPJL-KRWDZBQOSA-N 449.533 0.964 30 10 ICEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561785 YNFNHZIPLIXKMW-UHFFFAOYSA-N 439.520 0.623 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2267609391 PFNCYKUNENLXOR-AWEZNQCLSA-N 448.329 0.830 30 10 ICEE C=C[C@]1(O)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270518870 MGJCILLYVLHSJV-APWZRJJASA-N 426.491 0.797 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](O)CC(=O)O)cc2Cl)OC1(C)C 2284408117 SFJQZMJDPVMNGQ-QMMMGPOBSA-N 425.721 0.815 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc(CN(CC)CC)n3)CCCC2)C1=O 521516124 ABNFMVBHVWJOIW-UHFFFAOYSA-N 432.481 0.774 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 543361765 UCYSPXHVYFCCNR-KDOFPFPSSA-N 427.486 0.932 30 10 ICEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 729331176 KHSYGNZNYWBRNC-IAGOWNOFSA-N 440.543 0.406 30 10 ICEE NC(=O)CN1CCc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2C1 788835836 HUYXUMNGFHZTBF-UHFFFAOYSA-N 441.513 0.597 30 10 ICEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 795492769 DAIIEPPRFNBPJE-CABCVRRESA-N 427.504 0.283 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(=O)nc1O 1141664884 FMXKJXYHRRXMKO-UHFFFAOYSA-N 429.408 0.100 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286611634 MNXSHRMYVAHCPQ-CVEARBPZSA-N 430.513 0.907 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1300307645 HIYGSPNUCULASW-GDBMZVCRSA-N 434.522 0.521 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1300538388 PMUIWHGRNQDXDS-IBGZPJMESA-N 444.513 0.925 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1300630582 FEYBTBBVHCIBIF-APWZRJJASA-N 425.555 0.886 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)NC)CC1 1300709672 ATCUUYLTJXWIGG-UHFFFAOYSA-N 436.513 0.301 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCc1ccccc1 1303865426 ADKPZQODJGXTRE-DOTOQJQBSA-N 434.522 0.834 30 10 ICEE C=CCn1cc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nn1 1312898588 PUXMPFGNOXHOHT-UHFFFAOYSA-N 425.437 0.124 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359034901 GANFGQCRMMPOCE-OALUTQOASA-N 430.553 0.422 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359292121 IPBKHSABGVOVJF-KCQAQPDRSA-N 426.543 0.194 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)CCNC2=S)cc1 1441663973 IYXFNKVQSHGCQA-QNGOZBTKSA-N 437.547 0.935 30 10 ICEE C#CCN1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1444337559 JEHPLUNERDLWFZ-LJQANCHMSA-N 434.562 0.383 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(N)=O)C3CCOCC3)CC2)cc1 1455247610 DTKFXBBSPWWWRP-UHFFFAOYSA-N 434.518 0.452 30 10 ICEE C=CCSCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1472543808 UHVNVSGDSZRBJS-UHFFFAOYSA-N 447.604 0.770 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507954814 PZVXIJYJAULUIS-ROUUACIJSA-N 449.581 0.754 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCNS(C)(=O)=O 1508048767 XMISLNJYIVQLNR-UHFFFAOYSA-N 442.567 0.367 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)no2)CC1 1539467198 OMSJCQWOMCNLBR-UHFFFAOYSA-N 425.493 0.825 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)CC1 1539481319 LAHNNVBYLYVCNE-UHFFFAOYSA-N 436.582 0.793 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(C)cn2)CC1 1539488002 DJUHYVUUHWRGBK-UHFFFAOYSA-N 438.536 0.571 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1539538446 IHBCLBBLHCCKHC-OXQOHEQNSA-N 438.598 0.991 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 1557502943 DEWICNMCYYVZSA-OAHLLOKOSA-N 427.490 0.597 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 1558073626 WQTDNRUCPSOPAI-INIZCTEOSA-N 444.554 0.014 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1588871616 KCPRREXNMNNCBJ-QHCPKHFHSA-N 440.548 0.688 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588913193 BNPXEXYWTLGAPK-AOMKIAJQSA-N 426.521 0.789 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1607586534 VWDUITINMGIMJM-RWRKKUIKSA-N 435.424 0.871 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3)CCN(C)CC2)CC1 1637894320 GEIBEVMYYDOBOM-UHFFFAOYSA-N 433.578 0.445 30 10 ICEE C#CCC1(O)CCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 1668511314 XDMLGICEBDTJEB-UHFFFAOYSA-N 436.314 0.471 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(OC(F)F)c2)CC1 1675346604 XFDVEBJLNGUHHT-UHFFFAOYSA-N 432.449 0.591 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689986652 UPVZLHKBYSWNBY-HBIPHATFSA-N 435.575 0.821 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689988102 JDURSVWJZSHTDS-KSZLIROESA-N 448.593 0.588 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1OC 1690032738 IBNPJCDTEBTULI-HNNXBMFYSA-N 446.533 0.812 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1690313095 LBRRMHXGRFQGHB-KRWDZBQOSA-N 443.570 0.412 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1690723986 FTHPXXNUBCCKBY-QZTJIDSGSA-N 441.598 0.930 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1694783486 FRCQUZSHWASZCD-GOSISDBHSA-N 437.504 0.780 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1705628483 IGMLLPVVHPZAKR-OAHLLOKOSA-N 425.555 0.429 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(C(N)=O)CCOCC2)CC1 1705650742 XMLKHOXKZOTGQB-UHFFFAOYSA-N 428.537 0.479 30 10 ICEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1712173493 MCMYZSIJMNGKBD-KBPBESRZSA-N 427.440 0.905 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1722362453 AXOVFAVJTKKZIB-HOCLYGCPSA-N 443.595 0.705 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1722382285 GWXCBAHBXGGAEE-LJQANCHMSA-N 432.594 0.281 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)C1 1722712765 ZBSFMUDGPMWZET-GOSISDBHSA-N 426.525 0.681 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1740738202 DVELJZGPLGDILA-NEPJUHHUSA-N 438.348 0.649 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1748671988 OZMKDBCRTBCAEB-JKSUJKDBSA-N 442.611 0.118 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760183835 UIXWSJROGFOROK-HNNXBMFYSA-N 425.555 0.594 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1760210722 VPNPBKZDCFPUAT-ZDUSSCGKSA-N 425.465 0.991 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1769415227 GYKXNGICYBJQMI-QGZVFWFLSA-N 444.517 0.852 30 10 ICEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC(=O)N2CCOCC2)CC1 27221738 UTKBGFADCXSUAR-OAHLLOKOSA-N 431.562 0.912 30 10 ICEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)n1 477447784 CHCSHCJFCPDQJC-INIZCTEOSA-N 442.541 0.910 30 10 ICEE COc1ccnc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1 505423047 RUFYJVGTAWOGPB-KRWDZBQOSA-N 449.471 0.911 30 10 ICEE COC(=O)c1coc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 513794325 NTXPKICFNZKLQC-UHFFFAOYSA-N 439.471 0.633 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1 525733882 DSLAIFZGTAUAQJ-LJQANCHMSA-N 428.537 0.588 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2=O)cc1 551740754 QVLAZJWEQOOUJX-SFHVURJKSA-N 449.442 0.839 30 10 ICEE Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585471901 XPUXIADZYXGHPC-UHFFFAOYSA-N 441.561 0.919 30 10 ICEE C[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H]1C[C@@H](O)[C@]3(O)[C@H](C)O1 604377328 QBQXQYSJPWXZJL-SUZGCTPASA-N 444.392 0.288 30 10 ICEE biogenic C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 726795876 YOAYDEWZUJHGEY-HNNXBMFYSA-N 432.545 0.038 30 10 ICEE C#CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729332078 UOMBHQOWVAOVOE-QGZVFWFLSA-N 448.501 0.526 30 10 ICEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732696515 HRCCHYVFDDLYIN-MRXNPFEDSA-N 449.533 0.920 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 762976191 IUASOMPZDREDAW-UHFFFAOYSA-N 437.369 0.339 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ncn(C)n2)C1=O 768418516 UNJGLCXGTVWUCE-INIZCTEOSA-N 440.533 0.886 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)cc1C#N 805338470 LBVVVZDZOLZHKN-UHFFFAOYSA-N 430.486 0.895 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 1135899894 SQXRPOMQPGEMHG-UHFFFAOYSA-N 426.454 0.682 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc[nH]n1 1150366225 GKEMTEXROGXAPY-PKOBYXMFSA-N 443.504 0.693 30 10 ICEE Cc1c(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cnn1CCC#N 1152947642 ZJQNJZZVDZLZNP-UHFFFAOYSA-N 431.474 0.679 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 1248676321 MLCNYPQJAFBKBD-GOSISDBHSA-N 432.546 0.655 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC2(C#N)CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1256342048 UIZPSTNBEPSCFR-CABCVRRESA-N 442.538 0.735 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286390116 XJBHCZGQVUUXQN-CABCVRRESA-N 448.549 0.583 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(C)(=O)=O 1300457863 BNEYCSJZWQMMCL-UHFFFAOYSA-N 432.554 0.461 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301499112 XQHMLRZFHORGCT-INIZCTEOSA-N 425.493 0.527 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1301500144 JOUSVNVDBYNBAV-INIZCTEOSA-N 437.566 0.879 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301519555 PHIVZHWHODPPLV-UHFFFAOYSA-N 427.509 0.542 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1301578806 JIXCFZVMRFRLIX-UONOGXRCSA-N 444.583 0.537 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358956370 DXNBLPKPHJGMNR-HLIPFELVSA-N 440.566 0.980 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359300120 ULWJVLLPTMBWNB-HNNXBMFYSA-N 426.543 0.340 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359301828 MPRQOLOQPZSMKB-UHFFFAOYSA-N 431.585 0.913 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359336313 LRAVPGAJERQNQI-IAGOWNOFSA-N 436.538 0.832 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1464255609 LWVHQLOJLKYMMH-INIZCTEOSA-N 432.520 0.494 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1464844306 CFZYWHXKLXQQGH-JOCHJYFZSA-N 436.553 0.422 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1507721600 WVVWSANBOWXCOQ-UHFFFAOYSA-N 442.545 0.633 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539218998 AZSCXLYFYJBPJM-DLBZAZTESA-N 438.550 0.688 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539221896 SFBIZAQFCLQRKH-WMZOPIPTSA-N 443.529 0.935 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1540876554 VDUGVIKLNKQUPJ-FUHWJXTLSA-N 431.585 0.867 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCCO 1544582567 MWKGECRAKHZRDO-CVEARBPZSA-N 439.524 0.769 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)c(=O)nc1O 1557603453 XNPQUEYGKSFIOR-HZPDHXFCSA-N 429.408 0.686 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1588065055 SDQKAESVNUUISK-GOSISDBHSA-N 440.533 0.572 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1588384977 DQPWGURPVHIDLQ-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1595544382 HGRKSNCOZUIECZ-KRWDZBQOSA-N 426.525 0.899 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)[C@H](C)C1 1595831764 VQBXTIIIRYBLOF-IAGOWNOFSA-N 427.571 0.887 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1627713565 IPBICQHLDDUXQM-HOTGVXAUSA-N 442.335 0.477 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1645034225 NAMQROZTJNLUAU-QGZVFWFLSA-N 430.505 0.842 30 10 ICEE C=CCOC[C@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OC 1668852098 CMSTWUSHGNFABE-QMMMGPOBSA-N 429.236 0.047 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1689966186 MNGWBBKSZNIJAQ-GOSISDBHSA-N 431.518 0.759 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1689966187 MNGWBBKSZNIJAQ-SFHVURJKSA-N 431.518 0.759 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689988548 ROQDIRLWZGBXHO-HZPDHXFCSA-N 441.579 0.206 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1689993689 JPDCJGMRFWHQCA-AEFFLSMTSA-N 448.593 0.510 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1705574289 ZVHLMEISRCLOQF-HNNXBMFYSA-N 438.517 0.795 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1705647961 MURWFZLDZRFILW-KRWDZBQOSA-N 444.536 0.030 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCOCC1 1709141738 CKCAQMQGLAEBLA-QGZVFWFLSA-N 425.541 0.940 30 10 ICEE CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1710673160 OMDZGGVLKPKYHE-ZPHPHTNESA-N 431.497 0.303 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1722373821 MVQXLHGZXVFXAI-QFIPXVFZSA-N 429.521 0.674 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722691890 BNNBOGGHNZJACI-INIZCTEOSA-N 429.529 0.768 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722693619 VEOGZUUUGLCMRL-HNNXBMFYSA-N 442.476 0.905 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722695037 QAJQLAPFBFRBLY-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1740640301 KHTKLUHWLMKXLR-QZTJIDSGSA-N 434.566 0.168 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)CC)CC1 1740840419 YLPRJSHYEUCALL-DEXQXJORSA-N 445.611 0.782 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1740863078 NTDUOECXIRNMDQ-SJORKVTESA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1740963197 CSLVNFTWEMSQJC-UHFFFAOYSA-N 447.521 0.460 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1749053566 JFKKLIIFWLIFBK-WMLDXEAASA-N 443.595 0.848 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)CC1 1760254078 NDWVKAIDIKHLOM-HZPDHXFCSA-N 426.612 0.929 30 10 ICEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1=O 1771126428 DMWJKLWINQOJKS-SJLPKXTDSA-N 437.504 0.623 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628780 MYOAFIDAPVSKKE-OCCSQVGLSA-N 436.318 0.978 30 10 ICEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1nccs1 248027384 WQVJVNSXLAYAIR-DSEONOSFSA-N 440.437 0.996 30 10 ICEE C[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)n1cnc(C#N)n1 409615007 XRBYAXHCNIFQCK-AWEZNQCLSA-N 446.489 0.405 30 10 ICEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 478746936 OEXNUAZJRHWYKM-UHFFFAOYSA-N 443.573 0.484 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478753940 MIOQUCAIYVVIEK-WBVHZDCISA-N 442.541 0.804 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC1 546013354 VGKJIIXRDVVSTH-UHFFFAOYSA-N 429.521 0.288 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NCC)CC1 549251662 ZCCOQGCHTPEZQD-OAHLLOKOSA-N 441.558 0.039 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 603798478 MKADMLOWNLQNRG-INIZCTEOSA-N 443.525 0.363 30 10 ICEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732651481 BGCVWPQZBNWDKB-INIZCTEOSA-N 434.518 0.528 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1C[C@@H]1CCCO1 752194929 SDFBZYRJUXFOKE-ZDUSSCGKSA-N 430.555 0.913 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@@H]1CCCO1 753356169 ABNVGAASJGVLPW-AWEZNQCLSA-N 442.497 0.009 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 781653625 LWZJIGVFUHJZQX-UHFFFAOYSA-N 430.530 0.606 30 10 ICEE CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802634037 NQOAHYTUCFAHMY-GDBMZVCRSA-N 425.559 0.491 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1 1140132575 JHDDOFNKIXLZMR-SFHVURJKSA-N 429.521 0.411 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 1183512020 VTKJXPZPVGWALX-UHFFFAOYSA-N 430.571 0.536 30 10 ICEE C#CCN(CC#CC)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1191245316 SFKMAYVHYIAUKX-UHFFFAOYSA-N 437.500 0.517 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)CC1 1286480623 NYVHNENSYRYFBY-CVEARBPZSA-N 442.611 0.118 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286607114 BFCBEDDDONYWCX-RBSFLKMASA-N 426.495 0.887 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC 1286782477 WDMUTQPHEHWOQQ-AWEZNQCLSA-N 448.549 0.469 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1300412121 YCMRSTVAZBESDW-SJORKVTESA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300484578 UGQCLAMXTXAIBX-OAHLLOKOSA-N 446.924 0.797 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](COC)C1 1301508643 OXLIEUARAVMQQQ-QGZVFWFLSA-N 425.493 0.670 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)CC1 1302923922 FGJHJHBORXYMNF-HDICACEKSA-N 434.518 0.303 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@@H]1C 1359113986 VGKROIVVZIHHSO-GJYPPUQNSA-N 443.570 0.553 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359333368 VQPZALXUEFARIE-UHFFFAOYSA-N 426.543 0.016 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1359474218 OSKNSRPYPODCQW-QWHCGFSZSA-N 436.485 0.489 30 10 ICEE CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1359600895 HBPNMHDRSGYDRD-CXAGYDPISA-N 430.506 0.214 30 10 ICEE C#CC[C@H]1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1461809995 BFWNKKHBDGPLEF-INIZCTEOSA-N 447.536 0.819 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1507616471 JTQDSCBHWONSTA-AWEZNQCLSA-N 427.918 0.231 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507829658 HRYDTVOWSHQQKK-HNNXBMFYSA-N 428.497 0.862 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539206879 WLBFQRANJUHXKT-RDJZCZTQSA-N 436.538 0.411 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540865657 OALCRROCJJAAFG-UHFFFAOYSA-N 427.465 0.669 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1540870971 AWOVMYOAVBJGSA-CQSZACIVSA-N 428.559 0.396 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588053814 IGEFZHAMCBGYIY-MOPGFXCFSA-N 449.577 0.667 30 10 ICEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1620610949 HGEKUBPJTIJOBK-AGHHOFFYSA-N 446.573 0.394 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@H]3CCO)CC2=O)cc1Cl 1635345903 LGMXRKDGKWPHTB-UKRRQHHQSA-N 425.894 0.573 30 10 ICEE Cn1c(S)nnc1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1636544137 WCHUGSXCHKOUIE-UHFFFAOYSA-N 435.535 0.234 30 10 ICEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1658677262 VCXSAKZOQQBURV-SJORKVTESA-N 439.534 0.470 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689988963 ZNKAYZOEZSAGMR-INIZCTEOSA-N 430.534 0.959 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CC2)CC1 1690110612 UCFFSGAJWQOGNZ-PMERELPUSA-N 427.534 0.592 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccn(C)n2)CC1 1690153804 BAVYFMNSBDMAFF-HKUYNNGSSA-N 441.536 0.750 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690723843 BYWORVKTOFQWNH-IAGOWNOFSA-N 437.566 0.974 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705568431 NNDHVUNEXRRTFK-MSOLQXFVSA-N 448.593 0.512 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705662300 VPFMPBIRHJIFCN-VBKZILBWSA-N 432.550 0.963 30 10 ICEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)cc1 1705910042 PQKOTKYKBMWJPY-AWEZNQCLSA-N 434.522 0.438 30 10 ICEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1711393196 GQBSAJKYEUSILS-UHFFFAOYSA-N 442.499 0.890 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1722378873 IMHSWZMCFBRVDA-IIBYNOLFSA-N 442.545 0.851 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCOCC2)CC1 1722441431 QCENAKCLEWCHLF-UHFFFAOYSA-N 444.536 0.021 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722702052 JDSYTSNNMGXAQC-CALCHBBNSA-N 433.557 0.248 30 10 ICEE CC(C)C(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1723058226 VHIKVEMALREDOS-ZPHPHTNESA-N 427.509 0.987 30 10 ICEE CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1729838377 HYCBPHKJQBUDEK-GDBMZVCRSA-N 426.543 0.776 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1740551615 LMDKMOAEVCDQFQ-WMZOPIPTSA-N 444.561 0.918 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964397 BLVAJGVVKVAHJG-KXBFYZLASA-N 441.554 0.244 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1740993111 YOZUTTHVMMDNBN-HNNXBMFYSA-N 426.543 0.234 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749664233 ZWMGMNOWZORCDG-GOSISDBHSA-N 439.524 0.700 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749736919 SMYHBXSCYPOLFQ-QGZVFWFLSA-N 448.524 0.823 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1750385260 HLQJECDWVOIMSM-GOSISDBHSA-N 437.504 0.785 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1751572574 GRAQYWLIMPLFKG-SFHVURJKSA-N 426.477 0.753 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760188446 KUSWQXNCPPWUKI-WVDZOPJMSA-N 433.559 0.878 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CC)CC1 1760269298 DWJLJJQOFGAWKV-OXJNMPFZSA-N 437.566 0.307 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC(F)(F)F 1763112196 FBXANXIIMPDWKI-GFCCVEGCSA-N 437.430 0.896 30 10 ICEE CCOCc1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766312730 BMGFHNCJLYEVQN-FZFLATATSA-N 443.508 0.542 30 10 ICEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1770682563 DPSMDBHABWWJGJ-SGOHWPKCSA-N 443.508 0.759 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3nnnn3-c3ccc(Cl)cc3)C2)CC1=O 1857302379 MAESKOVOZCPISS-MRXNPFEDSA-N 428.884 0.474 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCO)[nH]s1 2110080980 STVRSNACHIGZGQ-UHFFFAOYSA-N 434.499 0.368 30 10 ICEE Cn1ccc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)n1 441163039 CUPNMJKUIIURAW-QGZVFWFLSA-N 428.518 0.794 30 10 ICEE CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 443261551 HKWGHRGWPVCJIV-UHFFFAOYSA-N 427.479 0.789 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)s1 477458975 YNJIZCCEYFWWHD-ZDUSSCGKSA-N 431.539 0.941 30 10 ICEE N#C[C@H]1CN(C(=O)c2cncc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CCN1C1CC1 732651670 FEIQPMSQUSEDTN-SFTDATJTSA-N 433.516 0.706 30 10 ICEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)s1 752195095 VIXXUVKWTQVUEA-ZDUSSCGKSA-N 430.555 0.889 30 10 ICEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 763609790 DROXYEAYYLNDED-ZDUSSCGKSA-N 425.470 0.640 30 10 ICEE Cn1nccc1CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772769936 DJGLDZKIRMBXAJ-UHFFFAOYSA-N 445.501 0.301 30 10 ICEE C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)[C-](C(N)=O)[C@H](C)[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]21 1088725567 MSOCJZQIXBUXFI-VINUNPDNSA-N 443.476 0.051 30 10 ICEE CN(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1cccnc1 1184273816 XQLOUANWPFITOA-UHFFFAOYSA-N 432.458 0.606 30 10 ICEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286689812 CDXYFJBGYYPCGL-UHFFFAOYSA-N 431.541 0.654 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286779066 NDZBDEFTEWIPLC-UHFFFAOYSA-N 439.520 0.849 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1286788753 FHQCBPKNGQAVSV-QGZVFWFLSA-N 430.484 0.652 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1286815960 BLBXKUFSDDPCFZ-ZIAGYGMSSA-N 449.599 0.493 30 10 ICEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1286894246 BAHHPNQBXZBYMG-WMZOPIPTSA-N 444.517 0.916 30 10 ICEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294921216 ZDOGHJFSGUBDDN-QGZVFWFLSA-N 441.540 0.896 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1300298315 BHCAFQWHODYSKD-FMKPAKJESA-N 437.518 0.666 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300479353 MHQMSAPQSFNTSF-HNNXBMFYSA-N 444.517 0.467 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358958894 XXMLKGNCNKBBEF-KRWDZBQOSA-N 447.542 0.488 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(C)(=O)=O)CC1 1359031873 SDVJTSJFMDCBHA-UHFFFAOYSA-N 428.518 0.996 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359203031 GZCIOBTWKGOARY-BBWFWOEESA-N 443.570 0.817 30 10 ICEE COC(=O)[C@]1(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CCOC1 1453690764 NOCDROLFJDACRD-JTSKRJEESA-N 426.473 0.387 30 10 ICEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1462894967 HOFYJDFLPFKRBP-GJZGRUSLSA-N 438.568 0.627 30 10 ICEE C#CCN(C)CCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1478736295 ORSZSMXFNGWLLS-MRXNPFEDSA-N 430.571 0.665 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1507623450 SKODQHYBWYPTLG-CABCVRRESA-N 429.568 0.481 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1507630883 JGPNNJIKWYDDQF-CQSZACIVSA-N 428.465 0.935 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1507710074 CGHMFCHCSXREDR-APWZRJJASA-N 441.554 0.266 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507798593 ONEPYWMRGIPVEG-BJLQDIEVSA-N 432.569 0.973 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1508088109 VXTVDIMSHXMEET-UHFFFAOYSA-N 430.484 0.605 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537528767 HCPPBZXMKUWPFQ-CVEARBPZSA-N 431.555 0.998 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539226003 SBHIYCHRSOMZIE-GOSISDBHSA-N 440.533 0.572 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539444717 SZDQBWCXIMOJOX-LJQANCHMSA-N 425.585 0.460 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CC2)C1 1540897307 GNZZTJYLMLEMDH-HIFRSBDPSA-N 431.584 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1540901139 UIDMNKBWYSKENT-UHFFFAOYSA-N 447.565 0.199 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1558329427 PXXWWXIGBZXIKL-RYRKJORJSA-N 425.938 0.678 30 10 ICEE CCOC(=O)CON=C(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc[nH]n1 1583418732 WAVDRNUGBSBUTF-UHFFFAOYSA-N 442.881 0.937 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1587990253 USVSDGHNLYYBHP-PMACEKPBSA-N 443.573 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1595797980 KNANRAKCMBIOMT-OAHLLOKOSA-N 438.554 0.377 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1595824172 XVNBFIVDHNDKRA-IRXDYDNUSA-N 438.598 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 1612811005 PXQFQHSGGKCFHS-UHFFFAOYSA-N 429.417 0.709 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)s1 1635681117 GJEFAJMSZLNQPO-INIZCTEOSA-N 443.591 0.705 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 1685180695 UQZPESKSTGPZSZ-MRXNPFEDSA-N 425.942 0.714 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1689982036 GPVJNCTWHMCQIM-QGZVFWFLSA-N 436.501 0.620 30 10 ICEE CCCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1695280074 WMFGGQPYAGGHPB-YJBOKZPZSA-N 444.533 0.870 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705639917 ZDJPGBYCJGJJTD-QZTJIDSGSA-N 438.523 0.893 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC(C)C)C1 1705916170 ZTCAWBBKTVXLFO-MRXNPFEDSA-N 440.570 0.623 30 10 ICEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1=O 1711278314 CFZQEOPQARYMTC-UHFFFAOYSA-N 432.506 0.156 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722367628 NCYRUESFHXZVJE-INIZCTEOSA-N 443.595 0.502 30 10 ICEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740714068 PZHUQBCOFIPEGG-UHFFFAOYSA-N 437.533 0.647 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740788868 YMKRPZIZHMGPMO-MJBXVCDLSA-N 429.499 0.595 30 10 ICEE C=CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1741004563 FKDYHBWCWYDHGX-BEFAXECRSA-N 425.555 0.801 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741129608 FYQBXAUSTSNGKN-KBPBESRZSA-N 449.537 0.883 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1741801455 ASAQVCICKDTAAR-STQMWFEESA-N 425.540 0.854 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3CC3)CC2)c1C#N 1742668436 AHADVSMSRYIZHS-CQSZACIVSA-N 447.569 0.539 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)CC1 1749003942 AXZKVBCUMOQUKM-CYBMUJFWSA-N 446.524 0.899 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760268939 RXUPNDLMAXBKBA-HNNXBMFYSA-N 434.566 0.403 30 10 ICEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760440553 MEZPNPLONNULMF-OAHLLOKOSA-N 430.513 0.215 30 10 ICEE CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763132496 VLTHNCNFCAMEIQ-MRCUWXFGSA-N 443.552 0.916 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1766723548 TVCCXPFWRXBWLH-CVEARBPZSA-N 446.489 0.870 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1770360760 QXPAAQFYGXNAAM-LJQANCHMSA-N 429.506 0.225 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2270596331 BCXCRXFPBTULOX-NSHDSACASA-N 445.251 0.788 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)n1 479377073 ARGZGUZJZVOWLD-OAHLLOKOSA-N 426.498 0.274 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 481797072 BPLIYDCQBMNHLL-OAHLLOKOSA-N 435.550 0.284 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 524496469 QEWRWJLFRIEHAY-MRXNPFEDSA-N 437.566 0.627 30 10 ICEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746150385 YHLUUQBURQEYGC-HNENSFHCSA-N 449.508 0.441 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 788813730 QGYPXPQKDBLHSO-UHFFFAOYSA-N 449.533 0.165 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 1175514741 GMWPKSVRLLRDCD-UHFFFAOYSA-N 437.909 0.934 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1286363701 XECBKBMHXWBOEK-HXUWFJFHSA-N 433.534 0.890 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286509454 QSAMTJCSLVUKFY-CABCVRRESA-N 426.564 0.936 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1286711782 PMRAXYYVSVOHQK-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1300309296 GPDNVYMINLGXLV-LSDHHAIUSA-N 440.570 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CC(OCC)C2)CC1 1300685287 KPNMVSDSFVZNEW-FQUBMZHMSA-N 433.553 0.615 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)C)CC1 1300710833 NDGWGFVMLHTZBL-UHFFFAOYSA-N 431.541 0.154 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1302241746 BTKKYQBRLYAWQD-YRBFXIGRSA-N 427.527 0.148 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CCO1 1316540614 MVKHBAYJFGSKII-HZPDHXFCSA-N 431.522 0.806 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1358994017 CAFVYGQSSZFQJW-INIZCTEOSA-N 426.502 0.185 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNC(=O)C(C)C)CC1 1359030793 FYWQTRGWLNCEIJ-QFIPXVFZSA-N 432.569 0.848 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359306401 FKURRPFEOGXLPS-MRXNPFEDSA-N 440.570 0.682 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1359334742 PJDQEWJWNUIAKT-FQEVSTJZSA-N 449.581 0.703 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1360680885 KBJCOLZQCGUXRZ-UYHISHBKSA-N 439.517 0.341 30 10 ICEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1440791910 ADMKKFPSWOHGAM-UHFFFAOYSA-N 442.925 0.622 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](F)COC)CC1 1507738330 NJFDYOQQIPWVHJ-OAHLLOKOSA-N 446.483 0.956 30 10 ICEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507850634 QBPYUVAFSYSBOI-UHFFFAOYSA-N 437.932 0.440 30 10 ICEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1510698021 BUIGWUHFDPZKSG-RDJZCZTQSA-N 441.467 0.836 30 10 ICEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@](C)(C#N)CN(C)C)c1OC 1544116620 CJVJJAOFNBSCGQ-IBGZPJMESA-N 440.522 0.298 30 10 ICEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1558751243 QLGGVFTWSRPVQU-SJLPKXTDSA-N 442.559 0.457 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccccc2OC(F)(F)F)C1=O 1584431662 HYZPXMYKLHHSFH-CYBMUJFWSA-N 443.334 0.892 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589569721 QQCXYJDEAKDABA-BIZBXSGISA-N 447.536 0.742 30 10 ICEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1619284359 HNADKWYFYOWAOV-DOTOQJQBSA-N 447.517 0.974 30 10 ICEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1620626395 QGEBAQSZVOMJJX-NRFANRHFSA-N 442.472 0.831 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1645168887 RJVZNNAFGZCBEA-LMMISXJQSA-N 427.523 0.701 30 10 ICEE COC(=O)c1cc(C2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)[nH]n1 1653474580 DHUXAHISRQFFRW-LLVKDONJSA-N 431.474 0.639 30 10 ICEE C#CC1(O)CCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1659571152 KOXAVOBAVWERPT-HNNXBMFYSA-N 435.525 0.159 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCS(=O)(=O)N(C)C 1666110597 MFDZDLMTKCFUBP-UHFFFAOYSA-N 437.584 0.542 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 1685143770 BRXIMZJOGHELFZ-ZDUSSCGKSA-N 436.469 0.732 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689993130 WGQZCUSVMWDGCK-QGZVFWFLSA-N 444.561 0.663 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCCS2(=O)=O)CC1 1690142304 LBDMVSPRIPSKHS-UHFFFAOYSA-N 445.549 0.275 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690672222 LSOPRMIWMGWQTP-HNNXBMFYSA-N 426.587 0.935 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705938393 XHDOVJRPYTZVCD-IAGOWNOFSA-N 437.566 0.864 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1706890412 NPIPLKPJSVDDLA-GOEBONIOSA-N 438.554 0.824 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712693084 JJTOOJNLGSUNDX-OHTQGHCMSA-N 434.522 0.695 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)CC1 1722438043 RZCMRMNYJPOPIZ-MRXNPFEDSA-N 430.534 0.387 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722691892 BNNBOGGHNZJACI-MRXNPFEDSA-N 429.529 0.768 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1722704860 YGSKLNUIANKFEY-UWJYYQICSA-N 429.525 0.409 30 10 ICEE CNC(=O)CCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1729700289 NRROXUXNCXBPMW-CZIZESTLSA-N 438.492 0.829 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1740639907 ZNHNFLJHGJIILP-QHCPKHFHSA-N 432.484 0.899 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748808708 GJWHNJMMJIJAIP-OAHLLOKOSA-N 441.517 0.757 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749659634 HDLZGRPCQHZCFM-CQSZACIVSA-N 433.490 0.599 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N1CCSCC1 1760094921 APRMGESXZUSZCX-CQSZACIVSA-N 428.584 0.253 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C(F)F)N1CCOCC1 1760097398 DSYOGQBWMPFYKX-ZNMIVQPWSA-N 448.540 0.702 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N(C)C)CC1 1760269844 DPCNSEBEKVLSAN-UHFFFAOYSA-N 438.532 0.932 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)OC)C1 1760543248 NWTZBQUMNGVYAJ-XHSDSOJGSA-N 429.543 0.427 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1761448178 UANYTQVVTRULOQ-CHWSQXEVSA-N 441.535 0.562 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2CCOC2)C1 1771361800 PVXLCIKGRCMTRO-SJORKVTESA-N 438.554 0.778 30 10 ICEE C=CCNC(=O)NC(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195285725 JCBDMCDHOBNQHT-JGVYIQDASA-N 439.490 0.905 30 10 ICEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255795086 DXKQWXFVYQPHEE-UHFFFAOYSA-N 448.354 0.656 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)n1 2255815743 SEOFUMKXDSJMKB-WDEREUQCSA-N 428.220 0.707 30 10 ICEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2267147553 VNCYOKWDZWNUPU-CQSZACIVSA-N 449.361 0.990 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267872363 SNRKSWSFEWEHIV-KBPBESRZSA-N 448.329 0.876 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)n1C 2315633738 QEQJYOVIWABTIF-UHFFFAOYSA-N 430.236 0.778 30 10 ICEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 426428177 HTEFJSPTESVYES-UHFFFAOYSA-N 432.525 1.539 30 10 ICEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(c2cccc(C#N)n2)CC1 546919413 WPBGUFSPEIISOQ-CVEARBPZSA-N 442.545 0.989 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)c1C#N 572027182 SXFSVRXDFJEVNW-GOSISDBHSA-N 435.488 0.171 30 10 ICEE C#CCN(CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 731213059 TZGSXJTTWQITAF-GOSISDBHSA-N 433.578 0.679 30 10 ICEE N#CCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 731237925 RXHNKXXNQJKFMW-CYBMUJFWSA-N 430.280 0.785 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1F 803419430 QUNXKIGMWOSPRY-AWEZNQCLSA-N 433.527 0.786 30 10 ICEE CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1C 805063247 IEBQGFKQBPBOSX-UHFFFAOYSA-N 431.474 0.548 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 807608919 GKJRLORSGLJJSI-JKSUJKDBSA-N 425.532 0.282 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(S(C)(=O)=O)nc2)c1 1125418737 LEJAYWZGKQAFEQ-UHFFFAOYSA-N 427.482 0.972 30 10 ICEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1134057068 ZQUVLGGLLQSIDH-BONVTDFDSA-N 447.332 0.863 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(=O)nc1O 1136476126 GMGBQPAKDUHHGA-UHFFFAOYSA-N 433.827 0.988 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)CC1 1175523638 UCDKQXGTFWDSSA-JKSUJKDBSA-N 430.571 0.928 30 10 ICEE C#CCN1CCC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1226938073 QSKFABVMBAHVDO-IBGZPJMESA-N 427.553 0.679 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1OC 1286297068 USNPHHFSUNNMPL-LUKYLMHMSA-N 441.554 0.120 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC1CC1 1301297288 ORYAZAXRKLMLGN-HNNXBMFYSA-N 447.583 0.058 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1320673018 IFYXTRVMCHXZHM-QUCCMNQESA-N 442.516 0.927 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1358948523 DWMWLWTXAVFIIF-UHFFFAOYSA-N 434.508 0.675 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359291493 SAGCWLBVJUGKAA-MRXNPFEDSA-N 433.557 0.408 30 10 ICEE C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1360535328 BZOOOIVWGCQBOA-RDJZCZTQSA-N 447.565 0.874 30 10 ICEE COCCn1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(O)nc1=O 1455138211 JQJCBGOZGMJMCM-UHFFFAOYSA-N 434.493 0.862 30 10 ICEE Cn1cc([C@@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1463163516 OHKJVWFHQONXSG-DKYLXPRQSA-N 433.534 0.505 30 10 ICEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1492588048 IGDHQJRMPIDEFS-SFHVURJKSA-N 433.534 0.967 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504604406 DZPLALZFXKUNOA-CVEARBPZSA-N 428.472 0.807 30 10 ICEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507861535 OEMCRYWSLPGTCG-UHFFFAOYSA-N 445.911 0.600 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508047316 BLBFXVSUGFUNBB-LLVKDONJSA-N 440.555 0.781 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1508094491 OMKZCMDWHVANKV-UHFFFAOYSA-N 431.472 0.760 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnn(C)n1 1539025720 LVPBLZMQCIRAGP-SFHVURJKSA-N 434.552 0.673 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539453742 PTRHJUXILWKFAO-UHFFFAOYSA-N 428.562 0.986 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540873626 DVIALRNXOOERLX-MRXNPFEDSA-N 429.525 0.294 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 1540882356 HGWUOAPIWQBAON-CABCVRRESA-N 440.570 0.715 30 10 ICEE CCOCc1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1548097511 NMXBFXBOCSZKEE-JCFLCSRNSA-N 443.508 0.588 30 10 ICEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C(C)C 1558973686 BHXABTWRIUZEEE-QGZVFWFLSA-N 427.548 0.509 30 10 ICEE CC#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1583661954 RODIISAYMKMLBW-SFHVURJKSA-N 435.546 0.499 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588800462 HPNKIWFHSPHDFW-UHFFFAOYSA-N 431.566 0.791 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 1594241445 QQEQOAHDKBLBNF-IRXDYDNUSA-N 441.554 0.429 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616212838 HKPHBXGCTOHLPZ-MJXNMMHHSA-N 435.460 0.360 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CCN(C)CC1 1626637311 JCTCMDPBKUHHLY-UHFFFAOYSA-N 435.546 0.886 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)s1 1628743044 ZVGMNQZKFCDDTE-DIFFPNOSSA-N 426.520 0.249 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 1636475501 LBKMUAZWMKGDBO-IBGZPJMESA-N 434.562 0.751 30 10 ICEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1637390412 ULZFSHZYUMPXJY-MRXNPFEDSA-N 437.518 0.902 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683129975 GOSMBZKWKVIPAS-OAHLLOKOSA-N 444.554 0.301 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1689993704 JQQDGFIVCWZRCW-YMGMXPECSA-N 435.575 0.659 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690143802 CKJCIIWRAYJUAK-BZSNNMDCSA-N 444.536 0.247 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705566755 QYNMKTAOIIHZFE-BQFCYCMXSA-N 432.550 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCCC2)CC1 1705632765 BAGWTFFQBAXISZ-MSOLQXFVSA-N 437.614 0.375 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CC1 1705633740 XLSUBDQRVDFLED-MRXNPFEDSA-N 446.581 0.153 30 10 ICEE CC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1705996250 RLBNJSGNQKCGGY-ATQAJOFPSA-N 427.509 0.814 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNS(=O)(=O)CC 1722282605 OASRRALAQUAGJC-CQSZACIVSA-N 429.510 0.318 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1722294844 ICKRKOICEQQCDT-WTCZBGTRSA-N 445.611 0.616 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722690547 KUJXALJKHOCDJB-HNNXBMFYSA-N 435.492 0.955 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C1 1722717991 FSXLWCPPNFMTIX-ZACQAIPSSA-N 441.554 0.429 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1731181694 IZQCUXLCZUWUPV-SJORKVTESA-N 425.511 0.922 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)CC1 1740697756 FVOFDVUTSGTMRU-UHFFFAOYSA-N 432.550 0.080 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1740960571 VGFPKJADUKKZNP-MRXNPFEDSA-N 447.565 0.600 30 10 ICEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748825496 ZUAUVIVESODYMD-OAHLLOKOSA-N 449.508 0.711 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1749721707 RNWHBCFQJUZOQV-UHFFFAOYSA-N 438.554 0.174 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)C)CC1 1749722044 ZSALLXLPFKSHLL-UHFFFAOYSA-N 426.587 0.984 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749754485 NXOHPCOWXMYOQQ-NVXWUHKLSA-N 447.609 0.938 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1760557798 WOEQTEZZNDUSHV-GOSISDBHSA-N 449.581 0.261 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)CC1=O 1855740010 LLQRBRFZRYTGKB-IRXDYDNUSA-N 437.562 0.439 30 10 ICEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870535092 GDJKJVRWHQSREJ-UHFFFAOYSA-N 447.580 0.535 30 10 ICEE C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247876526 QWFFZKZIDJMVJJ-AWEZNQCLSA-N 436.343 0.686 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255814899 FZQJKSKUFOPMKF-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112942 NVPNORDDENTISI-QWRGUYRKSA-N 445.251 0.786 30 10 ICEE C=CCNC(=O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 29075136 ILWSHXDUXXWNGP-AWEZNQCLSA-N 433.465 0.310 30 10 ICEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 568427215 LICCFWNWZNJCPV-UHFFFAOYSA-N 428.514 0.394 30 10 ICEE C=CCc1ccc(OC[C@H](O)CN2CCCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 580367420 VIJRCNVADNKFDA-GOSISDBHSA-N 427.567 0.978 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 589160047 ZMYFOSXVFGPRFE-UHFFFAOYSA-N 433.436 0.869 30 10 ICEE C#CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 731838997 ADFNLSYFTVSELY-CYBMUJFWSA-N 426.447 0.891 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cn(C)nn2)c1 783347123 YCYRBKYMGAYNLZ-QJOMJCCJSA-N 447.521 0.663 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCCO1 1116392164 SDZACSZHXCZZJY-QGZVFWFLSA-N 449.536 0.908 30 10 ICEE COCCN1C(=O)c2ccc(C(=O)N3CCC(C#N)(C(=O)OC)CC3)cc2S1(=O)=O 1128961805 FVBMRESHWYQJQV-UHFFFAOYSA-N 435.458 0.396 30 10 ICEE C#C[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1141496408 PZGJHPAIBITXMF-GFCCVEGCSA-N 428.283 0.859 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1157848871 FXYHPUAWIXDHSY-KGLIPLIRSA-N 444.435 0.706 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 1222210913 BXTDMJZLJCRXNX-HNNXBMFYSA-N 429.543 0.085 30 10 ICEE CC(C)(C)OC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)NCC(=O)NCC#N)C3)CC1 1248537146 NFUPYBOYXVWNIR-IRXDYDNUSA-N 434.541 0.884 30 10 ICEE CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287357760 XEWSELCDQNHPOL-MGPWXQLLSA-N 436.538 0.626 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300372149 OBBWBVNFZFVUTI-MRXNPFEDSA-N 427.509 0.677 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)CC1 1300700094 LRSOLQZLPQCCMG-SFHVURJKSA-N 428.562 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cccn2)CC1 1300728576 AGNAPCVWDYZCLO-UHFFFAOYSA-N 438.536 0.653 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1302496732 ZLJLZCQGICLMKE-CVEARBPZSA-N 446.489 0.870 30 10 ICEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1315329264 IFHLJHLYGFKGNK-ZDUSSCGKSA-N 440.913 0.885 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1316209560 KPYRTLMZVZTRSP-QZTJIDSGSA-N 435.573 0.757 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(C)=O)C1 1359306820 RGLRJJVBDIMTPM-AOIWGVFYSA-N 434.541 0.657 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]([C@@H]2CCCO2)C1 1458022385 IXHHEUKZQMFXAT-NXHRZFHOSA-N 435.502 0.796 30 10 ICEE C#CCNC(=O)CN1CCN(C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 1473501545 CFBIZYCBAHTTBM-HSZRJFAPSA-N 428.533 0.517 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1505146206 DFVQYYQGLBRBCF-UHFFFAOYSA-N 448.549 0.877 30 10 ICEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1505314829 BVQZWMBBNYTCTA-NVXWUHKLSA-N 428.518 0.953 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1507615821 BQLAXUYFAYOMNG-CHWSQXEVSA-N 439.460 0.648 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCO[C@@H]2CCOC2)CC1 1539477472 NWKINSSCRZQXOE-GOSISDBHSA-N 439.520 0.897 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540901371 BFTQXFBXQGWXGL-INIZCTEOSA-N 435.554 0.584 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1540908741 MRUIDXTVYXZARH-UHFFFAOYSA-N 440.570 0.800 30 10 ICEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CCOCC1 1560154981 XGUAFLIGSVRKSM-UHFFFAOYSA-N 447.557 0.884 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1588229299 STHKNZLUIAUYMN-GOSISDBHSA-N 433.578 0.754 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595805012 KIIVINLHPIWSKD-UHFFFAOYSA-N 435.554 0.957 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)CC2)c1C#N 1612469419 ADXNYKNKFLZABX-KRWDZBQOSA-N 441.540 0.632 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)N(C)C)n1 1612501515 QHGLJYLYORONSW-UHFFFAOYSA-N 448.535 0.821 30 10 ICEE CCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613957790 HLCYVDCVPHHOGI-CZIZESTLSA-N 445.524 0.346 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1615973510 UAOVDFSMHAUFGJ-IAGOWNOFSA-N 443.533 0.613 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(=O)N1CCOCC1 1620098114 QGUJZGDCSLUFHO-HKUYNNGSSA-N 432.525 0.991 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 1626148343 JUWRYRQWMKJGRT-CABCVRRESA-N 425.482 0.200 30 10 ICEE CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1626655231 AIVZHFWQQFMDTI-IDJSLIICSA-N 439.559 0.290 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(=O)n(CCO)c1 1630752333 QPSQSVKJJHVJOH-INIZCTEOSA-N 432.502 0.933 30 10 ICEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OC 1655132563 XCQZVPKRQBOUOM-NSHDSACASA-N 427.401 0.340 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c(OC)c(C)c2OC)CC1 1669343090 ZCJPUPRJJGURFA-UHFFFAOYSA-N 426.495 0.638 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1690244200 UVLMKXCAPJPRNR-QFBILLFUSA-N 429.525 0.955 30 10 ICEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1696053145 GKGQXUUVSQYXCI-DLBZAZTESA-N 430.506 0.264 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2c(O)nc3ccccc32)CC1 1705632631 WVPXFJSKDPGGLL-UHFFFAOYSA-N 436.520 0.927 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705641334 BCCOWRXJYQNTDM-UHFFFAOYSA-N 441.580 0.804 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1705663948 HJPCFQCROTUBTL-GOSISDBHSA-N 432.594 0.925 30 10 ICEE Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1707913255 WHIPZJJNLBPIEA-MVZUJROASA-N 429.525 0.802 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)O 1708152698 GYJXEPZEFCNLCR-OAHLLOKOSA-N 439.524 0.662 30 10 ICEE CCOCc1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1710730866 ZJMXQGQDQPSMDT-JGWKNBOWSA-N 431.497 0.398 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1712877249 GEIURXWOMDQBFC-HNNXBMFYSA-N 428.518 0.953 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1722384231 PFIXPXVHHWBDEK-AWEZNQCLSA-N 449.455 0.610 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722555516 LMZDKRLACRTWLD-CJNGLKHVSA-N 434.971 0.948 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722731179 GATJTSAWVKJWSN-KXBFYZLASA-N 441.554 0.198 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740617709 VUICOYBMWAODNU-HOTGVXAUSA-N 443.595 0.871 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1740671395 GKWPHEBXLZBAGD-HNAYVOBHSA-N 437.522 0.571 30 10 ICEE C[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743116005 NBJJABJJLWCUKX-BCHHYXHLSA-N 434.522 0.695 30 10 ICEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749198328 FLRPJQJWQNBQMX-UHFFFAOYSA-N 437.508 0.307 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187159 IGILEHUHVXVXRQ-QGZVFWFLSA-N 435.550 0.421 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1760306099 BRTINEIEOMKHGO-CQSZACIVSA-N 448.387 0.857 30 10 ICEE CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1769075931 WCQYMUXMOPMTRM-NFSBEEMKSA-N 445.524 0.804 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCOCC4)ccc32)CC1=O 1856004870 LIAIXABTTHBJBE-HNNXBMFYSA-N 433.486 0.158 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(C)=O)n2N)nc1C 1874543965 VHUGTMJPFYHCRA-UHFFFAOYSA-N 425.496 0.467 30 10 ICEE C[C@H](C#CC(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1902015237 XCBWNSMVLCDUOT-KQTLUZQSSA-N 427.498 0.360 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267477108 HMONAGMTDBZFEW-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE C=CCN(C)C1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270496646 PTNWQTXVUACSTM-KRWDZBQOSA-N 425.507 0.586 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1C1CC1 430976708 HFTNZIWVVDRCCV-UHFFFAOYSA-N 449.536 0.911 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 492416388 DUKDRBJBAXORJW-OAHLLOKOSA-N 426.564 0.348 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508940462 YIJIRNGAYRSASI-SWLSCSKDSA-N 439.460 0.691 30 10 ICEE CCc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 513924143 OPCKMZPKFLTVSD-ZDUSSCGKSA-N 448.487 0.207 30 10 ICEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549694195 YAEOONNXQDWWSE-GOSISDBHSA-N 435.492 0.866 30 10 ICEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 603799788 UDGYVLNYJNSWOO-GOSISDBHSA-N 439.537 0.759 30 10 ICEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CN1CCOCC1 610026868 LDBYWHIMDORSOU-KRWDZBQOSA-N 435.550 0.542 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)cc2C1=O 735405629 ZUZZNJRYFOYPSX-UHFFFAOYSA-N 439.449 0.873 30 10 ICEE COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)cc1OC 770077048 BVAUASMFUURBBA-GOSISDBHSA-N 447.469 0.773 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)cn1 772277469 IYLZRXYAFAQBJE-UHFFFAOYSA-N 441.557 0.657 30 10 ICEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(Br)cnn3C)nc2)CC1 782151579 HJQFXUVDRKVEGP-UHFFFAOYSA-N 442.343 0.960 30 10 ICEE Cn1ccnc1CN1CCC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 783074613 NIXXIBYJWIAXSV-OAHLLOKOSA-N 444.517 0.156 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 812440996 RRWWJQSWMKAVQC-MSOLQXFVSA-N 435.550 0.643 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1157848872 FXYHPUAWIXDHSY-UONOGXRCSA-N 444.435 0.706 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286386779 HHEWGKADOLXBFM-MRXNPFEDSA-N 449.558 0.544 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286779762 WYWKNXDUXUSJAF-OAQYLSRUSA-N 431.541 0.117 30 10 ICEE C#CCN(C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1313253218 ZBKZBLMOQHNWNW-BEFAXECRSA-N 429.539 0.844 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1358966990 BADLRARLVDXOIM-HZPDHXFCSA-N 437.522 0.599 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359132852 GWUYOESKPCQXFC-CABCVRRESA-N 432.568 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359333346 VEDYHEGNKCNPEJ-ZNMIVQPWSA-N 425.511 0.318 30 10 ICEE COC(=O)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C 1466481205 XJAYMFNCYLEJTR-YJBOKZPZSA-N 441.488 0.859 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2sccc2Br)CC1 1471190737 KPIRGYYRRCVFTC-UHFFFAOYSA-N 435.369 0.848 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 1477631761 XARZFAOVICTVFE-INIZCTEOSA-N 433.534 0.669 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CCO1 1503770217 DRTJEYXRDPMMBA-OALUTQOASA-N 440.504 0.964 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1508010526 XCAOUSRRUSJEPQ-CABCVRRESA-N 431.584 0.892 30 10 ICEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1513177074 ABTVTQYZYNQIQK-IYOUNJFTSA-N 426.518 0.927 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1539430960 PUSBDQKRODDGAN-QHCPKHFHSA-N 446.596 0.796 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540871628 PWFDGDDQGRTWCZ-HUUCEWRRSA-N 449.537 0.558 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 1546233100 JWYLCHDZEFMDHO-UHFFFAOYSA-N 438.571 0.819 30 10 ICEE Cc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1B1OC(C)(C)C(C)(C)O1 1587489263 DIJKUPWVWJYXLX-QFIPXVFZSA-N 430.310 0.652 30 10 ICEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1587758622 DTMFPHFYQVQLAF-QGZVFWFLSA-N 427.513 0.659 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1588029175 DSOYWZAXLDJRFZ-HOTGVXAUSA-N 428.580 0.853 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1588628426 ILYYOXDQJJJCFM-UHFFFAOYSA-N 437.504 0.849 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595537229 OCLFXMPYDNJSDK-HNNXBMFYSA-N 433.513 0.446 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595938355 UBTURXZAGPOCPG-UKRRQHHQSA-N 440.909 0.341 30 10 ICEE C#CCN(CC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)OC)C(=O)OC(C)(C)C 1629378666 CZCHYFOTDCCEJD-UONOGXRCSA-N 427.523 0.826 30 10 ICEE COC(=O)CCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C 1632920301 CJCXGXUOYNGWQS-GJZGRUSLSA-N 436.534 0.600 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1660447373 KKPXDZZMGPMWGR-HFSMHLIXSA-N 445.520 0.405 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@@H]12 1682021904 PJHREGOYKSEQKF-FJIDUMEYSA-N 432.502 0.113 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1690029460 CFJVCCPANUKLGC-GASCZTMLSA-N 425.497 0.693 30 10 ICEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690106219 ODRLTFZHUDHTDY-NRFANRHFSA-N 448.545 0.801 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCS(C)(=O)=O)CC1 1690113929 YFHRNCGPGUGVFQ-IBGZPJMESA-N 425.555 0.120 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1690124215 HLAPQYITRACHKO-SFHVURJKSA-N 448.593 0.338 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCCCO 1705495283 NQKNJMNYKBXTPV-GJZGRUSLSA-N 431.584 0.185 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1705572271 WFCICBDRVNWTCC-HUUCEWRRSA-N 430.552 0.191 30 10 ICEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705807191 VWXGLZLBOIFKDF-SFHVURJKSA-N 445.568 0.566 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705932586 WAKWMURKOFNQRX-CQSZACIVSA-N 427.552 0.508 30 10 ICEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722525499 AFPKSJHCROMPJE-ICSRJNTNSA-N 448.568 0.559 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccco1 1727230033 HAAZXBKHDTYYRJ-OAHLLOKOSA-N 429.481 0.948 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)CC1 1749014247 GRDHVEHDTYBOCC-INIZCTEOSA-N 446.533 0.491 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1749051413 HVFGSWFDZPYLOU-LJQANCHMSA-N 431.522 0.809 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749230165 UKFMIGKDFMBFDY-IAGOWNOFSA-N 441.554 0.114 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749677800 LDQSVPAJJJEMRM-IRXDYDNUSA-N 426.525 0.689 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC(=O)N2)c1 1760127798 MQODVRZGRYEODR-GOSISDBHSA-N 449.515 0.735 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760358049 QVZHOBYIAPUWPZ-ZACQAIPSSA-N 437.566 0.735 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCCCC2)C1 1770349292 GUSOGCBBDIONSW-SJORKVTESA-N 438.554 0.920 30 10 ICEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC)c(F)c3)C2)CC1=O 1856803773 NTTOOCKOHHTNFE-STQMWFEESA-N 428.438 0.717 30 10 ICEE C#CCn1ncc(NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106081066 RVNPQGNQXRJDTG-UHFFFAOYSA-N 426.271 0.526 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=CC(=O)c2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O 2296747992 KUVKOKYHHVKVFE-BMXMUORJSA-N 427.453 0.905 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=CC(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O 2296747995 KUVKOKYHHVKVFE-PFDCGNQRSA-N 427.453 0.905 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccccc4O)n3)n2C)n(C)c1=O 21040634 KFYTWVMHILHHIM-QGMBQPNBSA-N 427.450 0.392 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 72443758 NGQUKQWCERQRRB-GXTWGEPZSA-N 437.416 0.604 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 430385727 OMMHTMCONTVHPZ-APWZRJJASA-N 433.530 0.687 30 10 ICEE CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@H]3CCCO3)c2=O)c2ccccc21 545314127 ASRWXRGWCPVBNA-CQSZACIVSA-N 437.525 0.707 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1286420125 LYBPCWHPZYHDSR-QGZVFWFLSA-N 436.582 0.462 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286820259 IJUDSJZRPAMYCN-HUUCEWRRSA-N 432.568 0.744 30 10 ICEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1298093200 OPYPNFCRMQYAJU-KDURUIRLSA-N 428.493 0.868 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1300465030 JMMRQDXNXCYDDW-ZWKOTPCHSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300505685 FRUPOLVKLNSWTI-BSDSXHPESA-N 438.550 0.808 30 10 ICEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1300578742 ODJJQRJKQWOYTJ-UHFFFAOYSA-N 441.561 0.960 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC(N)=O 1300744790 AHMWJQWRUKXIPW-CQSZACIVSA-N 425.522 0.987 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1301967572 DYTWDJUNUOCXJR-GJZGRUSLSA-N 428.584 0.756 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1358913002 CVVCTHHYTJZXJD-QGZVFWFLSA-N 435.554 0.784 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1358976615 KPGQHIQIYUKOIC-UHFFFAOYSA-N 438.513 0.792 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359049826 WSJWQNHEXLJILD-SUMWQHHRSA-N 428.584 0.217 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1359282318 XARAPKAYROUBOE-DLBZAZTESA-N 441.554 0.595 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456063556 NGHGUJQAKRTCLX-KKSFZXQISA-N 440.504 0.972 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1)c1cc[nH]n1 1457066600 MSDZDERCIKTOGV-PMERELPUSA-N 442.542 0.507 30 10 ICEE CS(=O)(=O)N(c1ccc(OCCNC(=O)C2(C#N)CC3(CC3)C2)cc1)S(C)(=O)=O 1466448824 ZZFQBXIAELWIHV-UHFFFAOYSA-N 441.531 0.991 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H]1O 1517695238 ROFURTDNJMUFAL-CZUORRHYSA-N 428.449 0.274 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1539452310 ONVQGZSHKRRMMK-MSOLQXFVSA-N 437.566 0.131 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1540862166 UAQLRXXUJFXKBT-UHFFFAOYSA-N 433.513 0.578 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1588055592 XYLLDJVBZMJYGJ-KBPBESRZSA-N 427.477 0.901 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1609506748 HRSSENJGSODKGJ-KRWDZBQOSA-N 440.508 0.425 30 10 ICEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)OC 1613640512 ASRVVSAVMZRQMY-CKEIUWERSA-N 430.506 0.478 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C#N)c(I)n2)C1 1614553265 WYUSCFONCUDYDO-CYBMUJFWSA-N 431.278 0.832 30 10 ICEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620176849 YMMSTGNCNNBBOS-UHFFFAOYSA-N 444.565 0.763 30 10 ICEE CNS(=O)(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1636682623 LRXWGHWSZNYGAK-MRXNPFEDSA-N 433.490 0.303 30 10 ICEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OC 1637696870 KNEPDMWNQMHOJL-INIZCTEOSA-N 438.502 0.786 30 10 ICEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 1640509031 HNQSDFVIVRRQNO-UYAOXDASSA-N 444.557 0.674 30 10 ICEE Cc1csc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1671133743 DELVFHSEYKAHKN-GFCCVEGCSA-N 432.549 0.595 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCO[C@@](C)(C#N)C2)C1 1687572818 YXVBMMVTHMFYOF-KDOFPFPSSA-N 430.527 0.735 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C(=O)NC)C1 1690237824 BBZGKPWYRHSGEX-BDXSIMOUSA-N 437.541 0.935 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705735865 GZZUWZFXMUEXOL-INIZCTEOSA-N 440.570 0.588 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705907538 PQVNOFWQYIWMAJ-CQSZACIVSA-N 443.474 0.776 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C(C)C)CC1 1722449138 HJASSICJCFVDQK-UHFFFAOYSA-N 443.552 0.139 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740620155 BVEVKUPAAQPWCD-QZTJIDSGSA-N 444.561 0.688 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1740851394 VCJNFCGUYPNYPQ-OAHLLOKOSA-N 445.611 0.782 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)C1 1740972628 KPHIDSZEKIOTFR-HDMKZQKVSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740995322 IDFJVOXVJATVID-HUUCEWRRSA-N 432.568 0.744 30 10 ICEE CC(C)(C)Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741198689 HMQAYYUFRUESGY-QBNCKDSPSA-N 443.552 0.914 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748801462 AHNCADIMZMWMLA-GOSISDBHSA-N 442.545 0.779 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748808063 HKRWOIUHHXKCBY-GHTZIAJQSA-N 441.513 0.595 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748994273 WYDXEQLGRLKOCR-LJQANCHMSA-N 443.577 0.443 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1749874397 RMVDHZBOUMLKND-QFIPXVFZSA-N 437.504 0.590 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1)C1CC1 1760477422 ZTTLRXWVFYTTBP-MRXNPFEDSA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760520881 CJBYXWFXTYCNDV-HOTGVXAUSA-N 427.513 0.581 30 10 ICEE CCOC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1765935402 AUDOSDGVZZDQHZ-GJZGRUSLSA-N 426.543 0.966 30 10 ICEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856874751 WFCYZVVRBQGROK-CABCVRRESA-N 438.481 0.191 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H](N)CO)c(Cl)c2)OC1(C)C 2282876111 YMGAMCKPDVVLHA-JTQLQIEISA-N 425.143 0.891 30 10 ICEE CCS(=O)(=O)N(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2365291315 CGAUDAGSGBSSQQ-UHFFFAOYSA-N 425.363 0.058 30 10 ICEE O=C1C(Cl)=C(N2CCOCC2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc21 3202674 VRUFVMALYTYKOB-UHFFFAOYSA-N 426.878 0.869 30 10 ICEE COc1ccc(CCNC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCCCN=C(N)N)cc1 13740069 LVVRYABDHQGPGK-GOSISDBHSA-N 449.552 0.927 30 10 ICEE in-vivo C=CCN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(CC(=O)NCCOC)C2=O 35964632 GECXSLRFKXRBIS-SFHVURJKSA-N 429.433 0.706 30 10 ICEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C(=O)C1=O 64835461 KQGFRQOSQAPKGL-UHFFFAOYSA-N 434.518 0.655 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 440053293 MJLOUQRODFTRAV-LJQANCHMSA-N 440.591 0.870 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 480289649 JXZVIMIYSROIQM-UHFFFAOYSA-N 427.552 0.077 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nc(NCCO)c4ccccc4n3)CC2)cc1 590612243 BQZWQNQEOUMIRU-UHFFFAOYSA-N 438.513 1.417 30 10 ICEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 729331433 CSAPKALZDXBKGI-JKSUJKDBSA-N 430.482 0.724 30 10 ICEE CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729671230 FAZYFQOVXDGJND-UHFFFAOYSA-N 437.525 0.575 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCC[C@H]3C(=O)OCC)cc2C1=O 735772362 TZZWHJBUWUUNDV-HNNXBMFYSA-N 435.458 0.471 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)n1 788811496 WQXVCRLIGTXUBQ-UHFFFAOYSA-N 446.529 0.667 30 10 ICEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NCc1ccc(CN2CCOCC2)cc1 798744474 LHLFIPMGZITVGG-CVEARBPZSA-N 426.477 0.791 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 916179786 ZLYRZCAWBAMVFF-UHFFFAOYSA-N 438.465 0.576 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)C1=O 1143368046 SYXYVQXVANZNEB-HDJSIYSDSA-N 428.445 0.635 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1286411064 YKWVOSBRAVUXOV-ABSDTBQOSA-N 435.550 0.235 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1286438536 FBXFTJXBMJVAAZ-MRXNPFEDSA-N 439.545 0.980 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286758684 UGGOJLXXJFXSHW-JKSUJKDBSA-N 443.595 0.640 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286782135 LNLKZMWWOZRRRI-OAHLLOKOSA-N 427.421 0.796 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300495322 GDFACMQLTSTASW-SJLPKXTDSA-N 447.565 0.560 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1300516684 HTAOBNLNQZWFHW-INIZCTEOSA-N 426.477 0.931 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1300672366 ZSQPLUJYVDITNG-GOSISDBHSA-N 449.533 0.451 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1300991340 QWNKWKVOTSDCGN-OAHLLOKOSA-N 431.584 0.757 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 1302921838 VOYSRRYNEXOSQU-UHFFFAOYSA-N 449.483 0.865 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1315818552 RLCPKPAXBUIECZ-CABCVRRESA-N 444.533 0.726 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358961297 VZZYROBKXIMGAW-KDOFPFPSSA-N 434.547 0.230 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1358969475 PSYAJLVVUAVQGG-HNNXBMFYSA-N 436.538 0.440 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358994158 GJKIGBUMOMYPBW-IIBYNOLFSA-N 429.546 0.654 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1359222757 RFUDJAOLAODTNT-INIZCTEOSA-N 443.570 0.867 30 10 ICEE CON=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1446531892 VORVKEOGBHISAM-CQSZACIVSA-N 426.495 0.869 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C#C)c2ccc(Br)cc2)CC1 1470662709 HNBJMAFIPDRSGY-MRXNPFEDSA-N 439.335 0.918 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1477719794 PMNNCPCHWOSVTH-INIZCTEOSA-N 443.570 0.428 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507651044 ADCDIYRZOBMPLS-NRFANRHFSA-N 438.513 0.139 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CC1 1507721283 MKCMFKYYDFJSRN-UHFFFAOYSA-N 449.968 0.784 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1508409164 ANJPPAFYZXTFAE-VHSXEESVSA-N 425.437 0.163 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1519180700 YLXUBLXZHDZCOM-ZBFHGGJFSA-N 443.508 0.463 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539132172 GCEDFNRZROWGEQ-UHFFFAOYSA-N 429.569 0.804 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540004564 BAXYZBVIPXLLNH-KFWWJZLASA-N 441.510 0.691 30 10 ICEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1555931630 WMUFPYUGLKCFDA-INIZCTEOSA-N 425.518 0.717 30 10 ICEE CN(C[C@H](O)CN1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1566235359 QMASIDAKGJJLOA-KRWDZBQOSA-N 437.338 0.908 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588054658 PHZALTNCVJZZPZ-ZACQAIPSSA-N 437.566 0.714 30 10 ICEE CC(C)(C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597154498 XVWDAPPLQGTHRB-YWMAMYRUSA-N 427.509 0.913 30 10 ICEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)C1=O 1618460249 ZPPOVTDIQJBBAW-IBGZPJMESA-N 431.522 0.280 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)cc1 1622886385 DBXBTKXPMMDUIB-KRWDZBQOSA-N 431.536 0.818 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(COC)CCCCN2C(=O)OC(C)(C)C)CC1 1635993250 KFJNPFWDTXAJOH-QFIPXVFZSA-N 436.553 0.686 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1 1648026201 GVHLDKZLDIDBTG-QZTJIDSGSA-N 439.559 0.982 30 10 ICEE C#CCN(C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1687818298 AJBPLECTGKIQEM-MRXNPFEDSA-N 425.532 0.923 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1690219450 FEGKFTYWCQXFKY-QWRGUYRKSA-N 435.348 0.464 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1690660754 NWJYFHFLCIVGFE-LLVKDONJSA-N 427.556 0.592 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690670594 FMONCUKJACLKQQ-IAGOWNOFSA-N 426.525 0.979 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1690992864 ALSUXKWXTDMTDA-UONOGXRCSA-N 435.558 0.850 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1705597527 IFSYBIWQBPXEPN-OALUTQOASA-N 448.593 0.558 30 10 ICEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1705900817 QSXZGCYOXVOBHV-SFHVURJKSA-N 437.504 0.690 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1722294336 GVCGXHVYUNAJPV-RDTXWAMCSA-N 449.533 0.831 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1722367402 VWMOPCMKHMYEEQ-GOSISDBHSA-N 439.545 0.981 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722367532 WLEYDCCXYSEZOI-JXFKEZNVSA-N 438.550 0.472 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722536584 GAYQFMQAYHODIB-INIZCTEOSA-N 437.566 0.879 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1730758773 CWIWHXHMMSVLQO-UHFFFAOYSA-N 446.556 0.045 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1740656195 IAGTVPRIJJECQM-SFHVURJKSA-N 449.577 0.891 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCS(=O)(=O)CC1 1740994278 MCVROKFWSCBTSY-UHFFFAOYSA-N 430.577 0.766 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1748293268 FNGHKXVHKWAQIJ-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1748820415 BGGDZDMHPRCXGO-LJQANCHMSA-N 441.557 0.992 30 10 ICEE CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1750531333 BEQXHVOCDPFDTO-HNNXBMFYSA-N 426.543 0.512 30 10 ICEE CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1751195683 DUIWMVIHFCYGSG-IXDOHACOSA-N 441.602 0.983 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1760182062 BFGLZRANBZZDHF-INIZCTEOSA-N 441.517 0.757 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760445123 AOIZCAOIJMDGCR-UHFFFAOYSA-N 430.513 0.596 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1 1760532270 QQZWZQMWGIFWTK-CQSZACIVSA-N 434.522 0.438 30 10 ICEE CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1760695356 GDTXPSJRUSFGGG-HOTGVXAUSA-N 427.575 0.547 30 10 ICEE CCOCc1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1766221377 IGMWPMLCCIXUJP-ZCXUNETKSA-N 433.513 0.692 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)[C@H](C)C2=O)CC1=O 1857487576 APFUAWUFASVIJY-CABCVRRESA-N 437.493 0.917 30 10 ICEE CC(C)c1nc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cn1C 1889537574 LGNFRCGWXIFLOA-UHFFFAOYSA-N 437.610 0.964 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC2(C1)OCCO2 2282858058 RFZZYQVBAMRIHA-ZDUSSCGKSA-N 427.332 0.683 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497581580 YKXAEISYQPTQKO-CQSZACIVSA-N 434.543 0.201 30 10 ICEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508505337 NEJRPFVMQUXTFR-UHFFFAOYSA-N 438.532 0.871 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 512720293 JWGXPJUNTWFVGK-UHFFFAOYSA-N 430.493 0.769 30 10 ICEE Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 608919344 NUGODKVXSKNXDL-MRXNPFEDSA-N 429.506 0.489 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749856908 PCRMLUDDOPRMJP-INIZCTEOSA-N 443.573 0.828 30 10 ICEE C[C@H](CC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 752041808 HSQOWNZQFNZGQX-UVARLRKDSA-N 447.517 0.340 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ncn(C)n2)cn1 780322073 GNIBBYSHTVYXKR-UKRRQHHQSA-N 447.569 0.792 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1 1175514831 JHWKGBWCPYNCBS-UHFFFAOYSA-N 446.485 0.523 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)CC1 1226792604 HURZHNHARGSQFC-IBGZPJMESA-N 438.550 0.956 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1248619827 GOEXMPKUQYQHCM-IAGOWNOFSA-N 442.582 0.807 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1286447784 NKRKQUUNLJPYBG-FXAWDEMLSA-N 432.502 0.800 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286470968 HDXUERKBIHFNCH-FQEVSTJZSA-N 443.596 0.626 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286786706 XQNXLPFLNSHYTJ-INIZCTEOSA-N 446.533 0.571 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1286786923 LZJJSFFLSBWKNH-NRFANRHFSA-N 436.451 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286820354 KBYGWAWQTDJDRH-FCEWJHQRSA-N 426.539 0.767 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1298968939 GMZSLHLGFKLAII-OAHLLOKOSA-N 437.508 0.809 30 10 ICEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301187498 WLNSJILQDYWPCG-KRWDZBQOSA-N 429.529 0.864 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301258338 QGKPFXITALIARP-SFHVURJKSA-N 446.552 0.646 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1301965085 HIHGHYRWMKTQQP-ZIAGYGMSSA-N 441.583 0.204 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358962919 ZBSLZCADMNZVGD-ZIAGYGMSSA-N 445.492 0.180 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359299723 MDHFYKODYHMNFH-GOSISDBHSA-N 446.552 0.550 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359343672 YFDUKLQOQPCGKI-KSSFIOAISA-N 425.580 0.816 30 10 ICEE CN(C)S(=O)(=O)NCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1449122952 SINSDKSAAQENFT-TXKKKEFDSA-N 429.543 0.285 30 10 ICEE N#Cc1cn(CC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)c(=O)nc1O 1457042311 FITUJNSRIJEYTB-UHFFFAOYSA-N 447.171 0.841 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CC1 1463165185 KBQZHYAMBZYLNA-UHFFFAOYSA-N 438.575 0.099 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c1C#N 1470977721 DSNOCEJWKOTIAJ-LJQANCHMSA-N 438.536 0.728 30 10 ICEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503305550 NPEKKABQXVYKHB-KZRMCFADSA-N 436.582 0.947 30 10 ICEE Cn1cccc1-c1nnc(N2CCS(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503670928 HADFBYHNWICVNQ-VLGSPTGOSA-N 429.506 0.379 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507636075 YFZODWRJPLQREQ-SFHVURJKSA-N 442.545 0.417 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508136335 DYYSPUHQFZEZEH-HNNXBMFYSA-N 447.521 0.347 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508143891 KWHJSRQEDJIIIW-HXUWFJFHSA-N 430.534 0.724 30 10 ICEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1F 1510698026 BUIGWUHFDPZKSG-WBVHZDCISA-N 441.467 0.836 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)nc2)CC1 1539875199 URWFPMNWWUAVEN-ZDUSSCGKSA-N 433.538 0.833 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(C(=O)OC)C[C@@H]3S(C)(=O)=O)n[nH]2)c1C 1558184851 HVBSXOHPZBKZGQ-HNAYVOBHSA-N 435.506 0.782 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1594090588 LTQRZHMROVBHIN-KRWDZBQOSA-N 437.504 0.649 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595496943 LWNPIIBTTGDUBN-AWEZNQCLSA-N 446.533 0.318 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1615143628 BPVDSQVCHOIFRI-WDYCEAGBSA-N 431.541 0.657 30 10 ICEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1617666615 DLKDNYCFLOENEJ-JKSUJKDBSA-N 431.522 0.418 30 10 ICEE CNS(=O)(=O)[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1636871813 WVUCFPZMZLIQLM-AWEZNQCLSA-N 427.324 0.907 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1637389339 GMAAYMJWYWNWSU-HNNXBMFYSA-N 441.506 0.737 30 10 ICEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639175683 XPVKYRKWNNGAPC-YWZLYKJASA-N 434.518 0.000 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)c1 1642009758 DCAHOUJLGYFQCL-ZWKOTPCHSA-N 431.470 0.388 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 1644284667 BKNOWHTUHPFJEH-CYBMUJFWSA-N 442.900 0.444 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1667864307 TZRCYVGDAFLNLB-CALCHBBNSA-N 435.550 0.917 30 10 ICEE C#C[C@H]1CCCCN1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1680799955 FCHBHAFKVBVVBR-HNNXBMFYSA-N 443.547 0.988 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1682051717 STPBNOSCKAGFSI-OAHLLOKOSA-N 431.559 0.427 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690722223 BKGKXTYIGOFZTK-BEFAXECRSA-N 436.538 0.664 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccn(C)n1 1692524745 VLTLPZDTQNGYAZ-UHFFFAOYSA-N 435.492 0.927 30 10 ICEE COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1698032473 DHJHAQPYIYJAPF-OAHLLOKOSA-N 433.538 0.577 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1705598608 MKMNREOUBRAGOH-VQTJNVASSA-N 446.621 0.669 30 10 ICEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705848504 VNJNJKCTRWKJRT-IBGZPJMESA-N 432.506 0.630 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C1 1705917320 WAWITLJYENWVQZ-ZNMIVQPWSA-N 440.570 0.584 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1722413222 KAGNDWGCWZAASQ-JMGYQRAPSA-N 443.595 0.372 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)CC1 1722431952 QVHWHZFOEMIGSM-MRXNPFEDSA-N 432.550 0.700 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1730956206 PYAKDEMQHGUWDH-NXOAAHMSSA-N 439.538 0.556 30 10 ICEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740586560 FMOIUIZIKKEJCF-UHFFFAOYSA-N 435.492 0.702 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)CC1 1740700900 MPRCOZIVDGWQJI-QFIPXVFZSA-N 444.536 0.285 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740708317 LNMRWXLXFVWGEA-UHFFFAOYSA-N 449.577 0.136 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)CC 1740725005 GFRWCSYNUCUMRC-RTBURBONSA-N 425.555 0.862 30 10 ICEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740813297 BWEVUDZLFAFHRT-GFCCVEGCSA-N 449.924 0.169 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1748784530 OQCNADBNQKKQKQ-UHFFFAOYSA-N 441.517 0.297 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748825253 WYVXZOOOPBBRMO-JYJNAYRXSA-N 426.539 0.400 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 1749303380 JJWKVLYJMXRYTA-HNNXBMFYSA-N 447.583 0.202 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749651608 YWCAOWANTUSUJP-HNNXBMFYSA-N 426.525 0.914 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1749669958 QBDOLLUIUDCBBZ-HNNXBMFYSA-N 438.510 0.143 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1760175941 VQKTZVPKGRGMAV-KRWDZBQOSA-N 446.533 0.088 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760189266 GZFAAUZWBSFVLJ-SFHVURJKSA-N 425.518 0.672 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1760233643 NIPUWUULKWNNMR-SFHVURJKSA-N 444.561 0.920 30 10 ICEE Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1F 1856838960 WPMOYSZYTVKDKN-QGZVFWFLSA-N 436.509 0.665 30 10 ICEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562437 CPDKNQDIRULXLL-UHFFFAOYSA-N 439.520 0.657 30 10 ICEE Cc1ccc(/C=N/Nc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cc1 20907945 AVNDONKKFWVIHA-DJKKODMXSA-N 425.478 0.994 30 10 ICEE COc1cccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72443901 CFZLZEOKYGWDDI-OCCSQVGLSA-N 438.444 0.410 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 105288374 MJQJJPYGGBOGJH-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE C[C@H]1CN(c2cc(N3CCN(CCO)[C@H](C)C3)c(C#N)cc2[N+](=O)[O-])CCN1CCO 577522618 OYPXYNNFRRXSSV-SJORKVTESA-N 432.525 0.472 30 10 ICEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 614909484 PRFMZQLWXZPHAF-UHFFFAOYSA-N 441.553 0.979 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)C1=O 726034166 BSCNUIGEHQZEDA-MRXNPFEDSA-N 442.472 0.412 30 10 ICEE C#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 729331355 MQCFLJDFCWBBRJ-CQSZACIVSA-N 427.500 0.271 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1 749934092 NKDAFZSRKUTTHZ-UHFFFAOYSA-N 427.910 0.572 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 751734588 VKXOTZFAFSZPDF-LJQANCHMSA-N 438.440 0.564 30 10 ICEE COc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc1I 760221945 ACZDARPWZUDHAH-QINSGFPZSA-N 442.213 0.951 30 10 ICEE Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=S 794615596 ADRVLHSRZKMAIS-UHFFFAOYSA-N 437.507 0.889 30 10 ICEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1141495645 HFPXOVXTDPOXAW-HNNXBMFYSA-N 434.518 0.120 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1143192283 YINAYVOPBJFFNY-FQEVSTJZSA-N 436.534 0.512 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 1162640218 LFAJACVZKIMODZ-UHFFFAOYSA-N 449.533 0.525 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286336977 SGBKGGOGJNQDMD-LJQANCHMSA-N 441.536 0.971 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300494104 YRMCKWVIMXQXFG-AEFFLSMTSA-N 443.529 0.913 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301567299 GWXFNWNWBMFPTR-CVEARBPZSA-N 441.554 0.401 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1359038524 ZABDFCWBTZYPFI-LJQANCHMSA-N 445.593 0.862 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCOCC2)C1 1359313503 NKCBYJTZCRCEKD-GJZGRUSLSA-N 429.543 0.211 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 1464370273 SQKXFIYKFXWXPL-UHFFFAOYSA-N 433.939 0.707 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 1469874976 RYZNPTSOTUQYKS-UHFFFAOYSA-N 433.303 0.883 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507622211 CFEICYIIJXZUCP-QGZVFWFLSA-N 449.577 0.836 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1510296613 BCSMVMXYRUWBSY-JOCHJYFZSA-N 437.504 0.767 30 10 ICEE CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1515507203 HFJLCBJKESFVQP-BRWVUGGUSA-N 441.602 0.937 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C2CCC2)CCO1 1521121675 NJVWPNZCLZLNSS-MRXNPFEDSA-N 438.492 0.961 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H]1c1nccn1C 1529237400 WHJNEQTVNJUGSL-GIVPXCGWSA-N 436.516 0.945 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539220311 IHDXJHFIJOLHOY-HUUCEWRRSA-N 448.574 0.978 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 1540383198 AOEKTIXLVYAJNZ-UHFFFAOYSA-N 443.572 0.761 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540862069 QDHLZMXXUANUHW-AWEZNQCLSA-N 426.481 0.285 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1540865251 ZCJGPTCNZOGQOE-OAHLLOKOSA-N 448.549 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540908114 CEDZEXXKBHDJLF-DLBZAZTESA-N 427.571 0.572 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ncccn3)CC2)c1 1557587817 UIXYHPPROHKMKP-UHFFFAOYSA-N 427.530 0.826 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1587639486 MBEQWKGLNCSAEK-AEFFLSMTSA-N 438.598 0.943 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1588045736 PPOMMULQAKSMOU-INIZCTEOSA-N 444.517 0.809 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1588646021 FYDOMMLZGSQSHF-OSCRUYLVSA-N 428.493 0.785 30 10 ICEE CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Cn1cc(C#N)c(O)nc1=O 1621862229 CZUZMDSEPGWVBR-GFCCVEGCSA-N 426.351 0.738 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)s1 1634744056 FTQYTIACBOJIFT-LBPRGKRZSA-N 444.560 0.950 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)s1 1636336448 NOGHTAVMCDBYLU-XIKOKIGWSA-N 440.547 0.734 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)CC1 1682999539 BMAQDOMWGAMKMF-INIZCTEOSA-N 445.586 0.865 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683536819 MITIFPSKVVMGJC-IBGZPJMESA-N 435.550 0.482 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)C1 1690700272 PWYQCYFIRULKKT-FGTMMUONSA-N 439.582 0.682 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705480345 UNDCTNSFLGPWDP-ZYSHUDEJSA-N 426.539 0.326 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)CC1 1705634760 IEBJAUIHCXHWDF-QFIPXVFZSA-N 432.569 0.990 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705905217 NZAOWYIKVHOISD-INIZCTEOSA-N 438.492 0.039 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705935994 HOXODNMQCFITAP-BZUAXINKSA-N 442.538 0.481 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705936181 LEVXALHGNATMDH-KRWDZBQOSA-N 448.549 0.777 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722339234 RHEPGYOJMDPOMK-UHFFFAOYSA-N 436.520 0.634 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1722368569 SBNDPMOLYXTORH-CABCVRRESA-N 425.580 0.999 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1722373638 OYZQUUBHKZGPLQ-CQSZACIVSA-N 434.547 0.453 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1722419280 VXCIOEYYXWSOLR-UHFFFAOYSA-N 441.536 0.782 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1722730592 WWFFLELPGNTFMI-SFHVURJKSA-N 449.581 0.845 30 10 ICEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723580211 WZWVHHGYSBULJN-ZFDMEJTGSA-N 445.524 0.946 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1748869114 UJKWDAXPHYNUQO-QHCPKHFHSA-N 442.564 0.557 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749669253 DVRHHSGZZCZIEJ-MRXNPFEDSA-N 435.492 0.125 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760192846 OQGRFETYTDOHRN-KRWDZBQOSA-N 434.491 0.943 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760527381 VAIUJTPWGYZYKO-QGZVFWFLSA-N 442.524 0.113 30 10 ICEE CC/C=C\[C@H](OC)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@H]2O 210009829 BSXLPZRKEPWAAT-CYLDFPDLSA-N 445.468 0.657 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(C)CCC)C1 508889946 VDJOBZDYFOKCDF-SJORKVTESA-N 426.587 0.965 30 10 ICEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)n1 555318453 BSCCSROUFCFQOE-IFXJQAMLSA-N 441.463 1.505 30 10 ICEE CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O 616590373 QXSOYPUOFNJBDA-FWXGHANASA-N 438.476 0.162 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729672144 ZELVHYIBHMAFHI-UHFFFAOYSA-N 439.541 0.869 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 751924643 NIVJNJYEGRPHOU-CJNGLKHVSA-N 435.550 0.829 30 10 ICEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780943189 BQRNGAAYKBPSJU-FQEVSTJZSA-N 428.514 0.844 30 10 ICEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCN1CCNC(=O)C1 781104446 UVICRKUZNJTMPI-QGZVFWFLSA-N 440.529 0.590 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361638 YBVBLXAMPAGRGR-UHFFFAOYSA-N 425.495 0.167 30 10 ICEE CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937458 DJLBKCCERZZNHD-OTJRKWIQSA-N 446.501 0.924 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)cc1 856701371 ZNEWKYFTTRWZIL-HXUWFJFHSA-N 432.502 0.753 30 10 ICEE N#CCS(=O)(=O)Nc1c(I)ncnc1I 1192951650 NSDVFQUNMOVXPF-UHFFFAOYSA-N 449.999 0.951 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)CC1 1286478411 AFUGEBYGQHVHAT-KRWDZBQOSA-N 448.593 0.242 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286788201 RVTKGYXBTLULOH-SJLPKXTDSA-N 445.568 0.611 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300495321 GDFACMQLTSTASW-FUHWJXTLSA-N 447.565 0.560 30 10 ICEE C#CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300765835 MUGIUKQRBQJXPW-UHFFFAOYSA-N 437.595 0.760 30 10 ICEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1305236559 HZEXZGXTZOTHTR-ZZJCVSNXSA-N 431.522 0.697 30 10 ICEE CCN(C(=O)CN1CCO[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1308113023 AMUHGTBGEJHJGV-OAQYLSRUSA-N 426.477 0.547 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1315067089 JNUZQWMUFIHCKP-IBGZPJMESA-N 429.506 0.225 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1358962653 UGORGISRTMBKQE-MRXNPFEDSA-N 426.564 0.773 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(C)COCCO2)CC1 1359040666 CZLVABPOCTVANS-VGSWGCGISA-N 449.552 0.773 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359299934 PZFUPLYAOZXPBI-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C=CC1(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1442994291 POGQMLHZHDFQMQ-HOTGVXAUSA-N 443.566 0.414 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468663949 SJOJXGACCBNEKX-RBUKOAKNSA-N 427.553 0.679 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 1471450655 GHZCDSCZJCMCCT-UHFFFAOYSA-N 432.502 0.895 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1507832125 OMJWVWYJQLLYRO-INIZCTEOSA-N 426.543 0.292 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507835894 PMABLGZXLLLTAI-UHFFFAOYSA-N 442.586 0.869 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)C1 1541990394 FYWTZWMZVQLKGG-OAQYLSRUSA-N 429.525 0.779 30 10 ICEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1569717815 NUFZWNHWWOIDBK-MRXNPFEDSA-N 448.545 0.510 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584122605 QBKQZADMZQNNLA-DZGCQCFKSA-N 428.308 0.685 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588064727 OABPLAZRCSGRQR-IBGZPJMESA-N 439.545 0.867 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1588139514 OHMPLFMYESEBGE-SFHVURJKSA-N 434.566 0.170 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC1 1588199291 MTKDNKPRFXMNIZ-UHFFFAOYSA-N 441.513 0.868 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588790988 JKNVXTONJLORPU-FQEVSTJZSA-N 449.964 0.903 30 10 ICEE COCCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1619812682 BXIIRCRWIHGPLH-HOTGVXAUSA-N 442.542 0.156 30 10 ICEE N#Cc1cn(CCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(=O)nc1O 1648059304 BCVWZSHKECOFKW-XHDPSFHLSA-N 434.396 0.179 30 10 ICEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 1683258601 BMRIRDRVLBJJPN-UHFFFAOYSA-N 433.490 0.727 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1690047763 YLBRRZUXGCGMKM-SFHVURJKSA-N 445.549 0.164 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705571654 FAAMGYJSXLMUES-XDNAFOTISA-N 440.566 0.911 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1705583249 TWGCQXOCCZERFX-OALUTQOASA-N 433.578 0.490 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1722296932 WBRNAHIQWKAZAG-UKRRQHHQSA-N 441.945 0.619 30 10 ICEE CS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1731006813 AAGQTYKNCMKILA-LLVKDONJSA-N 429.300 0.809 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1740717617 XHDQTFBPNCMSFS-HUUCEWRRSA-N 429.568 0.203 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965979 USZYSMBLNZOQOK-HRAATJIYSA-N 434.541 0.583 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740990604 XBNSIKVMUCEDIK-UHFFFAOYSA-N 449.581 0.974 30 10 ICEE C[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743116006 NBJJABJJLWCUKX-KRGDBVFUSA-N 434.522 0.695 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749193504 LONWGFBDULNMIZ-JKSUJKDBSA-N 445.611 0.864 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCO2 1751231806 GYCDTVNGBZDNAA-GXTWGEPZSA-N 434.478 0.394 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760190377 PRIWMSCRYDFVER-SFHVURJKSA-N 442.545 0.417 30 10 ICEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760359819 LNSUKOVPCAILEO-OAHLLOKOSA-N 448.549 0.814 30 10 ICEE CCN(CC)C(=O)CN1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1766566994 DFIBPVHZJCBPJR-VXPUYCOJSA-N 444.540 0.103 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1770360770 RGPCGLNUQLIHHA-LJQANCHMSA-N 429.506 0.225 30 10 ICEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562227 SZKRSIABSNUQDX-UHFFFAOYSA-N 441.580 0.898 30 10 ICEE C=CC1(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 1897684701 UAZALZRGZCIVCM-IHRRRGAJSA-N 427.498 0.619 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2247881493 ZAJXGRWUEPLMGE-UHFFFAOYSA-N 442.347 0.617 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 2255606790 UMCHYGCSEJSLIJ-STQMWFEESA-N 433.318 0.948 30 10 ICEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267546616 ZENYDBLYBHAOCV-QWRGUYRKSA-N 445.251 0.643 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)[C@H](C)C1=O 2286029370 MFWGGGXQPAZPMI-ZBFHGGJFSA-N 439.490 0.415 30 10 ICEE C=CCn1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(/C#N)C(=O)NCCOC 3374789 HXPLJMSJRFASSJ-YYASDEIUSA-N 435.452 0.963 30 10 ICEE CC(C)N(C[C@H]1CCCN(C(=O)[C@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089845 FFCZTGHLFGRVDJ-FUHWJXTLSA-N 448.373 0.582 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447784437 CELIMZOLQVDTPV-UHFFFAOYSA-N 435.509 0.696 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 503623801 GOWMYNKUAIDHBU-UHFFFAOYSA-N 443.323 0.702 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cccnn2)C1=O 766416285 OKPIDOPBSDTJMQ-QAYQYMSWSA-N 441.561 0.982 30 10 ICEE C#CCN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 774196124 PESPPXLFOJYHRU-MOPGFXCFSA-N 433.530 0.927 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1177578410 FFVPUJWDMSNXFR-UHFFFAOYSA-N 428.470 0.374 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286549212 WKZZIFCJXUZYDO-MJGOQNOKSA-N 447.584 0.656 30 10 ICEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1287218132 NENKFQWGKHQKMN-HXUWFJFHSA-N 445.549 0.544 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1287988980 OWVJPVWJJCMOFW-UHFFFAOYSA-N 436.490 0.068 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCN(CC#N)CC1 1293712396 CFQKXNIUHDMCLT-ARFHVFGLSA-N 426.539 0.324 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1297776617 BLEJHJWVXOUPGM-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C 1299830268 PYWIBRRVRYYVDA-WBVHZDCISA-N 449.577 0.862 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300479626 QPOQCUCQUNZLAW-QGZVFWFLSA-N 436.582 0.529 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2cnn(C)n2)CC1 1300731858 IJYAGNFBACRGJX-GOSISDBHSA-N 426.525 0.857 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1302493576 ADIRUULUUURQSK-GOSISDBHSA-N 445.549 0.277 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1303824082 UNYIFHAGMASKPT-YJYMSZOUSA-N 435.554 0.639 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305116798 PWVRDANDLKGWOJ-PLGXQAJASA-N 443.508 0.365 30 10 ICEE CS(=O)(=O)NC[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1308058157 FGVCUTBMMZEABE-VQIMIIECSA-N 437.541 0.406 30 10 ICEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1315329263 IFHLJHLYGFKGNK-CYBMUJFWSA-N 440.913 0.885 30 10 ICEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1315801183 YUMCYDVOTPQONR-KZNAEPCWSA-N 429.477 0.838 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1358960970 PKEOVKOMSFCMRY-JXFKEZNVSA-N 428.518 0.445 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1359010077 GDAQNGQZEOVYKC-JMGYQRAPSA-N 445.611 0.618 30 10 ICEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359026206 OEUKXVGHYJLIME-OAQYLSRUSA-N 432.546 0.699 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359294313 QCKZKTJIOHHHEC-UHFFFAOYSA-N 434.522 0.338 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1 1471451431 LACZZCBUGHLTRD-UHFFFAOYSA-N 432.502 0.308 30 10 ICEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1492588047 IGDHQJRMPIDEFS-GOSISDBHSA-N 433.534 0.967 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1539462808 ZRHVCAYMNKGQFC-QFIPXVFZSA-N 428.512 0.818 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539722777 RPQGUOCVISMHON-NRFANRHFSA-N 447.540 0.824 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@H]1O 1554545361 FHRAWRLFWHSHMN-IAGOWNOFSA-N 426.477 0.702 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1560168401 KKPXDZZMGPMWGR-DSKINZAPSA-N 445.520 0.405 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1595552079 ZYZYCHIBQNVSCX-QGZVFWFLSA-N 446.533 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)CC1 1623099513 HTHHKKXLMONCGF-UHFFFAOYSA-N 428.536 0.157 30 10 ICEE C#C[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1640186738 QATQEKDTTCDEHC-GOEBONIOSA-N 435.502 0.242 30 10 ICEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1641819383 HJITZLZZKBJCJJ-UHFFFAOYSA-N 435.546 0.764 30 10 ICEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1654466023 LCVCPDHOJKEXGT-NRFANRHFSA-N 427.530 0.945 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c1 1664976324 AQXXRINFTPKTIN-GOSISDBHSA-N 441.575 0.486 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1689965870 FLKKGZMMAWMIMS-SJORKVTESA-N 447.565 0.763 30 10 ICEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1690086975 FXRFECLYPYEENR-LXMAKODISA-N 428.493 0.988 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)COCCO2)CC1 1690141757 BSFMVHHBCHJJLU-NRFANRHFSA-N 427.509 0.450 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690669668 LUNDGVONRCYPRU-UHFFFAOYSA-N 431.541 0.411 30 10 ICEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)C1 1695953206 AKYCRWMWEQTPFU-QZTJIDSGSA-N 448.549 0.996 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1695963880 VHCJPHZHBPYXEM-INIZCTEOSA-N 447.521 0.431 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)CC1 1705647754 LBZXCPMIGYUBHG-IAGOWNOFSA-N 430.509 0.001 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CC2)CC1 1705651442 WUZUZXMSJOKAQX-WJOKGBTCSA-N 446.577 0.277 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1705696023 DQAHVPLZQKDRRB-CUYVQJCZSA-N 440.570 0.571 30 10 ICEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705848505 VNJNJKCTRWKJRT-LJQANCHMSA-N 432.506 0.630 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705895092 TYFINYHUTIOCOF-UHFFFAOYSA-N 430.513 0.337 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)n1 1707832665 GVFPMOZFTORONE-MRXNPFEDSA-N 433.538 0.836 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722360167 ZQCQGLYWLJSPIJ-CQSZACIVSA-N 428.580 0.780 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1722453134 ZWAQCXTXZWDHML-ZDUSSCGKSA-N 428.584 0.217 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1722536315 DEUQBSYKJOUDBZ-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C1 1722712881 BBBNZMQWYSLATB-MSOLQXFVSA-N 431.541 0.175 30 10 ICEE CO[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1729838378 HYCBPHKJQBUDEK-GOEBONIOSA-N 426.543 0.776 30 10 ICEE O=C1CC[C@H](c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1731216927 DDYICQMXBDNYJA-OPGVCCBYSA-N 435.435 0.991 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740623385 SMGVDLDFHHWVFJ-CVEARBPZSA-N 431.522 0.121 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1740678669 PMCUACXTQASGER-UHFFFAOYSA-N 441.536 0.782 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1740684750 ARXNUPWPVXGWQX-DLBZAZTESA-N 425.555 0.682 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1741713843 MRSFSSMHVFXYSB-ZYSHUDEJSA-N 441.554 0.607 30 10 ICEE CN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1748063030 ZAXWCLKKXPOLSA-FMQUCBEESA-N 427.509 0.816 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748283060 CSLSEVPXXCMMPM-VFNWGFHPSA-N 425.493 0.818 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1748959046 LYLHDUVQSIZCJT-NRFANRHFSA-N 445.593 0.973 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC1 1748989921 RPUXUGDAWRCADE-MRXNPFEDSA-N 448.524 0.549 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1751284947 MTIOPNPGXLUFFQ-NVXWUHKLSA-N 437.504 0.955 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760643103 PDRBGNYHOOOHSS-JVMRMLDLSA-N 427.509 0.862 30 10 ICEE COCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770119521 KKQHVHZZIUORSQ-ZBFHGGJFSA-N 435.506 0.935 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C(=O)C3)C2)cc1 1854203048 ULFAXAZYXSZDAY-RTBURBONSA-N 430.530 0.238 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](CO)C(=O)O)c(C(=O)OCC)c1C 1860761369 SJVUKYAEIVMCRB-SECBINFHSA-N 428.419 0.076 30 10 ICEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCN)cn1 2164486152 DYGXLRPXECUSGI-LJQANCHMSA-N 431.449 0.553 30 10 ICEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1NC(=O)C(F)(F)F 2267606451 XVPZOLRDCFBOJM-QWRGUYRKSA-N 445.251 0.643 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2317602409 FOGTWMYRAHOWNI-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 508886397 AGVFODJKQJQJQN-HNNXBMFYSA-N 440.570 0.492 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 514310590 HQCCQLWPKKOJRA-WMZOPIPTSA-N 426.516 0.326 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 522310421 RVGHZFQCZQZSQO-UHFFFAOYSA-N 429.569 0.223 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)c1C#N 551453287 KKJYIKFYKPBLSM-UHFFFAOYSA-N 439.451 0.313 30 10 ICEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 749619987 GQEHVEBHPQDZQX-MRXNPFEDSA-N 443.510 0.896 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 768470775 IWRCZFJHKHYBOL-HOCLYGCPSA-N 429.539 0.301 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NS(=O)(=O)c1cnnn1C 781733571 BLERLXSVZAPXQS-UHFFFAOYSA-N 444.267 0.732 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 786487394 BDPYOZLQIPXHFD-HIFRSBDPSA-N 429.520 0.440 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856602955 VKKZMTQLCAULEW-JKSUJKDBSA-N 441.513 0.492 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1138262343 DMAKSAXMBBBLOE-UHFFFAOYSA-N 434.547 0.689 30 10 ICEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cn1C 1156246823 BVFWOPNUWRNMDP-INIZCTEOSA-N 431.522 0.767 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 1168393062 MZDNDMOBLKHCOJ-SFHVURJKSA-N 434.518 0.442 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286483550 PFVDDGKTBUBFNF-SFHVURJKSA-N 448.618 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286820411 LBKRVZQYDWWLMH-IRXDYDNUSA-N 425.555 0.687 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1288320792 CYXYQLZJMMSSMZ-TXPKVOOTSA-N 439.538 0.482 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1300671178 DNLWQMWMAYRNFP-KRWDZBQOSA-N 439.582 0.377 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1300780600 UQFWXXDLYWTAMY-FUHIMQAGSA-N 438.598 0.849 30 10 ICEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301215099 NYUYBNYTYNWOIY-UHFFFAOYSA-N 439.520 0.814 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 1319390462 BZMYNWNHRYJFJQ-AWEZNQCLSA-N 435.509 0.376 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1358978369 KSGQRDNXWZJALW-RBUKOAKNSA-N 433.578 0.610 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1359035135 LWSBOQJITXAEGH-ZDUSSCGKSA-N 432.422 0.901 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1359151701 YVVOQOJATHHGFG-CYBMUJFWSA-N 448.977 0.714 30 10 ICEE COC1(C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517897010 QMYGNEDWAADAJT-ICFOKQHNSA-N 429.481 0.266 30 10 ICEE C=CCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861619 ZGYGVSUUXMMIMA-QLFBSQMISA-N 445.524 0.382 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2c(I)n[nH]c2C)CC1 1565589994 IKDDLSKJZGQNKQ-UHFFFAOYSA-N 429.262 0.220 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588865636 ZGEBMQHGYRNHGV-FQEVSTJZSA-N 443.596 0.513 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@@H](C)C2)CC1 1588924357 ZXSPADOSKQDZPK-IEBWSBKVSA-N 441.580 0.927 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1616336454 OCAVLXQIEPFYTF-YVEFUNNKSA-N 443.934 0.745 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCc1c(C)nn(CCC#N)c1C 1641850018 XXGPOEBCQIUHQO-HOCLYGCPSA-N 430.465 0.041 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 1643372297 FIBJPESLGZIASU-UHFFFAOYSA-N 432.344 0.626 30 10 ICEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1643533280 RLUISJPQEXUJES-NVXWUHKLSA-N 449.529 0.632 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ccnn2C)C1 1644325019 PEZOEBNDDJGTKV-HNNXBMFYSA-N 431.518 0.603 30 10 ICEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1655597198 ICAUDUFDUDYKMY-JSGCOSHPSA-N 435.321 0.897 30 10 ICEE C#CCC1(NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CCOCC1 1678669113 GCAWNNXGJRNYKX-UHFFFAOYSA-N 434.562 0.994 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1682226502 KWFCCGJZAWUPRK-YLJYHZDGSA-N 432.502 0.258 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689978564 YYNADRVEFUYJIU-CQSZACIVSA-N 449.562 0.349 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1690265721 TVBHWOAKTKSZMW-GOSISDBHSA-N 438.598 0.747 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)NC 1694125615 FINAXBZPNAMSDT-HNNXBMFYSA-N 432.554 0.934 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705552114 VOMIQBRZWPSQOX-KURKYZTESA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705565845 WZAZAKVVIOTYEY-INIZCTEOSA-N 430.534 0.739 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705603446 PGPPGDQFJBNQHH-LJQANCHMSA-N 434.500 0.856 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CCOC)CC1 1705633290 NSFNJZLMKONVLY-MRXNPFEDSA-N 426.587 0.706 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712174371 ZJSCXXNDNKXVPX-KFWWJZLASA-N 443.487 0.590 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712710281 APFMISOFJPLFBD-IAGOWNOFSA-N 437.570 0.636 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1722359724 VWGLDPYJOONJRE-HNNXBMFYSA-N 425.580 0.962 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1740622090 TZCUQUDXWKJBMI-QGZVFWFLSA-N 445.549 0.364 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820507 CURYMULWODAYDC-FGTMMUONSA-N 449.577 0.700 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)CCOC1 1750059840 CJSQIHAZMRKHQH-MAUKXSAKSA-N 428.559 0.806 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760524885 MHIZOZVUZKFTHA-INIZCTEOSA-N 434.447 0.401 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760542612 NIFAQCLIDZWGTF-GPMSIDNRSA-N 426.539 0.851 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875112 DLFFHPNSKROVRW-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 514760209 HSQVVYUOUFKNJB-UHFFFAOYSA-N 446.495 0.987 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 549689225 XWXPNFCZIOCRSR-IRXDYDNUSA-N 443.570 0.817 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 582075353 VLDJDISHAUTXRH-INIZCTEOSA-N 429.543 0.430 30 10 ICEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 588195241 WVQCCZYUOVCVSU-KRWDZBQOSA-N 448.483 0.994 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cc1 589161447 VODOIQRUZWCLMY-UHFFFAOYSA-N 445.566 0.640 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)CC1 608293239 HLCDOJZIQWKHNW-UHFFFAOYSA-N 442.564 0.916 30 10 ICEE CCOC(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609706401 QAKQTVUEDJQCQR-UHFFFAOYSA-N 429.520 0.538 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1286297082 UTNWHIDAKAFIOA-DZGCQCFKSA-N 449.562 0.826 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)C1 1286811107 ZRVMGBZNFVDJFL-STQMWFEESA-N 439.460 0.955 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CCO1 1286945227 KCGPGWFMOJKFFJ-IBGZPJMESA-N 438.492 0.994 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1288524568 FIXGEZCKUWQFTD-MAUKXSAKSA-N 448.549 0.890 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCNS(C)(=O)=O 1291194770 DMIBGPXMHZDOKF-AWEZNQCLSA-N 445.553 0.157 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)n[nH]2)c1C 1298472465 XYPFCKGLPKTUMN-UHFFFAOYSA-N 440.551 0.959 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1300579824 ZZSQPJIDMNQXIZ-RBUKOAKNSA-N 448.593 0.416 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1301500107 JGTNYXNKUQXIRX-HNNXBMFYSA-N 438.554 0.294 30 10 ICEE COC(OC)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1307918322 WCLLJOKJARSYBX-IBGZPJMESA-N 447.511 0.298 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1315067090 JNUZQWMUFIHCKP-LJQANCHMSA-N 429.506 0.225 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1358941676 SPZDPFNRRMYFQF-MGPUTAFESA-N 433.534 0.805 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358963542 JZGIWMDEVWDUAP-BZUAXINKSA-N 435.550 0.323 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCn2ccnc2C)CC1 1359036548 ZALFDBUPDXIYRY-LJQANCHMSA-N 445.593 0.921 30 10 ICEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1503403649 WLDYEPRDIYXUDG-UHFFFAOYSA-N 427.509 0.633 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1507868258 GWDRFVSTKCIHFE-KBPBESRZSA-N 446.961 0.455 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508082229 RJFJUMDQQUAOIK-UHFFFAOYSA-N 440.508 0.217 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539212635 WREHIECLNUPNEN-SFHVURJKSA-N 440.529 0.922 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O 1539320420 ULAPIYOZJVPBEF-UHFFFAOYSA-N 429.502 0.728 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539370563 XJDICYWVCONKQJ-GJZGRUSLSA-N 449.499 0.903 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540901399 CABIYNQOXRJUDU-UHFFFAOYSA-N 445.549 0.831 30 10 ICEE Cn1cnc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)c1 1548367497 GBGKEMUNJQYVLN-CQSZACIVSA-N 442.423 0.675 30 10 ICEE CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552436147 UYLFWKABRUMSDZ-INCQDFKNSA-N 429.506 0.533 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588024588 HMRHQGZTJFFBLE-MSOLQXFVSA-N 448.593 0.481 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588049817 LOHKJXXONJDGEY-OXJNMPFZSA-N 431.518 0.427 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602689 OSXLSJXIMCRIRU-FOIQADDNSA-N 434.497 0.262 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(F)cc2C(F)(F)F)c(=O)n1CCO 1614875940 YWWBXHVKUFCOQC-UHFFFAOYSA-N 428.342 0.657 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1628679817 ADAGZGHQXVUDLZ-UHFFFAOYSA-N 437.518 0.588 30 10 ICEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 1630586337 CUZNSZCCAWQEFI-LXXRFIIISA-N 440.543 0.395 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nncn2-c2ccccc2CC)CC1 1644281813 MNIYOCSMFWTWNA-UHFFFAOYSA-N 448.574 0.534 30 10 ICEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccnn1C 1654005959 PWPCXVLXNHAARX-AZUAARDMSA-N 428.468 0.772 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689835077 FSPBRDWEXPFEAX-VLIAUNLRSA-N 434.518 0.970 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)C(C)(C)C 1690528338 ZVDKZQOIHPEHDI-AWEZNQCLSA-N 449.599 0.447 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1690658951 FEIAECVUVJOXBF-UHFFFAOYSA-N 440.508 0.580 30 10 ICEE COc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1697529807 AMSMVZBEIARTMH-RHSMWYFYSA-N 434.522 0.868 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC 1705489616 SDTYSMDIESWRMV-CYBMUJFWSA-N 439.567 0.245 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1705495606 SCDMNCDUXNIKCD-LZLYRXPVSA-N 436.582 0.553 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705558643 DEMICDCLRMINBT-QGZVFWFLSA-N 436.582 0.527 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705893578 AOCZNFQNXNAIBU-ZWKOTPCHSA-N 445.568 0.363 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1722384889 ZEDPSZUDGQIEPH-QGZVFWFLSA-N 435.513 0.882 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)CC1 1722438010 RPSLVXYSFXDNRO-KRWDZBQOSA-N 446.552 0.867 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722740076 JYOMCDIUQHYTCZ-ZIAGYGMSSA-N 433.538 0.621 30 10 ICEE C[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726568362 UOJMYBKQNBDXKE-NHWLHPCLSA-N 448.549 0.943 30 10 ICEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1729851864 WRWKZVVHULUNKC-IJLUTSLNSA-N 440.448 0.584 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740782823 RXSQDUPIOWALSJ-IRXDYDNUSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1740966297 RMZFYRTWFNENEC-LPHOPBHVSA-N 434.541 0.609 30 10 ICEE CCN1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1746429213 TXUBFQDTZJODIB-FMQUCBEESA-N 427.509 0.816 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749676316 MBOUJZGFZBNDFD-MRXNPFEDSA-N 433.538 0.084 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1760235700 UYPVKFXBSAPVSF-QGZVFWFLSA-N 433.538 0.412 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760523226 QDQMFZFTPDUTMG-UHFFFAOYSA-N 447.565 0.811 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1767390425 VIPPUVXVIPAPDE-DLBZAZTESA-N 434.522 0.342 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1771305110 SZSBLXKZSRZGAZ-OKYOBFRVSA-N 434.541 0.699 30 10 ICEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCO 1870740201 PQBVITQTLBNKLM-UHFFFAOYSA-N 431.489 0.847 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1C(F)(F)F 435152459 AEKFRKGLTKJLET-UHFFFAOYSA-N 446.451 0.742 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1 438942025 IAEAXECDMOCSSP-QAETUUGQSA-N 436.486 0.716 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 512725865 QQFJGHRKUKDXOM-QGZVFWFLSA-N 441.557 0.867 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@@H]1CCOC1 539598796 SEMSEPLSYCIDDV-HNNXBMFYSA-N 442.541 0.688 30 10 ICEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1 548222012 FJHRMFUAWMOZRE-OAHLLOKOSA-N 436.490 0.790 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCO2)CC1 549460399 LLSNGKCFXKPHQQ-LJQANCHMSA-N 442.568 0.743 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 579499125 AYWIILWQISIFNV-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 763437051 YITUZYWORCCSMJ-QGZVFWFLSA-N 426.542 0.989 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 771187902 DYSBCTPCLQNCDE-CQSZACIVSA-N 426.454 0.707 30 10 ICEE C[C@H](C(=O)NS(=O)(=O)c1cc(Br)cc2c1OCC2)n1cnc(C#N)n1 798853231 MNGDEFCYQYOGKE-MRVPVSSYSA-N 426.252 0.913 30 10 ICEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1OC 916201713 XACYPJFWKACHRU-UHFFFAOYSA-N 440.525 0.676 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1252135468 IJHNIDSXOCYFQP-LSDHHAIUSA-N 442.501 0.803 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1286377230 UPAHGJLLMZQVOQ-IKGGRYGDSA-N 425.555 0.886 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286407878 UNOWZJQFVNARNB-LJQANCHMSA-N 434.500 0.817 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)CC1 1286482084 ZPQREEKTPCIQLW-RCCFBDPRSA-N 436.582 0.583 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286807894 HFJOURDMLPOUSI-NYAYQYMKSA-N 441.492 0.537 30 10 ICEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1296195275 NTIRWXGBTCPLKJ-SFHVURJKSA-N 432.573 0.563 30 10 ICEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300989885 SAFAEMHVWQQCHH-UHFFFAOYSA-N 444.540 0.605 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O)C1CC1 1301326658 FJRPIPUNUYLROJ-HNNXBMFYSA-N 447.583 0.201 30 10 ICEE COC1(C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315265682 VGJBECQLIVYICN-ZCXUNETKSA-N 429.481 0.152 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359159533 YDQWNIAXXWBIKD-HUUCEWRRSA-N 446.599 0.326 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359297316 MORFGXAVPLIGMS-UHFFFAOYSA-N 442.568 0.576 30 10 ICEE CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1439797841 QZNTZBFOBKXRFE-XHDPSFHLSA-N 447.332 0.863 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1502424625 QAXQQBGCSKLDST-GOSISDBHSA-N 436.520 0.353 30 10 ICEE CN(C)C(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1503354373 HFPZSNUJOSWGDG-MRXNPFEDSA-N 429.525 0.891 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1504939026 FJLKSDIXXFDDEX-INIZCTEOSA-N 443.508 0.180 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC2)C1 1505139073 DVBJLLIUIJAEPY-KEYYUXOJSA-N 428.490 0.089 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1507748569 LJAFUOFADWCVHO-UHFFFAOYSA-N 428.547 0.856 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508059353 SHBSDLBEDFBLPF-HUUCEWRRSA-N 428.522 0.743 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1508084497 CGHLHOBGVGFSGX-HNNXBMFYSA-N 430.538 0.310 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539201092 VWASVQGDIYZOBQ-KRWDZBQOSA-N 435.550 0.567 30 10 ICEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1555558817 GBCNZBVCSWZXRW-IBGZPJMESA-N 434.522 0.180 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1587705298 ANOOUJYERSHRIT-GDBMZVCRSA-N 437.570 0.732 30 10 ICEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1=O 1622074428 FLNDQVMLOSQKPH-LLVKDONJSA-N 444.311 0.908 30 10 ICEE CNC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(OC)c(F)c1 1627448788 QNJQFHBGGDKREG-HFGXJBEUSA-N 432.452 0.772 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1633414660 RRXCKQNSTWVOID-ZQIUZPCESA-N 443.435 0.218 30 10 ICEE CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C#N)CO 1636605677 ZJYLJMKZCSFZAN-AAEUAGOBSA-N 436.353 0.850 30 10 ICEE N#Cc1cncc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1652851114 WJPGIDLWAJBVRI-UHFFFAOYSA-N 428.518 0.691 30 10 ICEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1696655397 TVYQLWWIFOGJKY-UHFFFAOYSA-N 433.538 0.717 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1698308625 AALZLNBFXFNZFO-HNNXBMFYSA-N 446.489 0.414 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1705885251 MGRGZALBJSHKPX-CQSZACIVSA-N 442.567 0.755 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1705927848 HPGGQGRWZUXGRK-UHFFFAOYSA-N 438.598 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705932142 MXHOYALSEXSVGT-HNNXBMFYSA-N 431.522 0.497 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCC(F)(F)F 1706890005 KINSPDIBUGSTOH-GHMZBOCLSA-N 442.489 0.913 30 10 ICEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722436603 JKEYXIPMTUUMPM-UHFFFAOYSA-N 433.538 0.408 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCO[C@@H]2CCOC2)CC1 1722446499 YCZUMVHPATWGHC-LJQANCHMSA-N 441.536 0.840 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722728838 YXNRGOLXLPLIDM-GJZGRUSLSA-N 434.584 0.990 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740671798 OUJCVAPXMZGCFL-QGZVFWFLSA-N 448.549 0.300 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740710353 YCUIDGHGOUOFBK-HUUCEWRRSA-N 442.611 0.750 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740946579 BJGVEWJCQPQJJQ-CVEARBPZSA-N 426.543 0.102 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740990559 CBUPVHWLIORNCE-ZRGWGRIASA-N 439.538 0.214 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748811027 AHSCMOKIZGBBMR-BEFAXECRSA-N 433.559 0.835 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749086421 KVVFPKOYXYBAEF-ABAIWWIYSA-N 447.359 0.656 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760281594 URWVRAYBDKKUQJ-OAHLLOKOSA-N 425.580 0.999 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1760554461 DVAHKHUJFAQPJJ-HZPDHXFCSA-N 446.595 0.644 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1761292251 XASMCBHWDVYOMV-UGKGYDQZSA-N 448.568 0.894 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)[C@H](C)C2=O)CC1=O 1855050214 JXFJZMVUIRXXTP-CHWSQXEVSA-N 441.456 0.747 30 10 ICEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CC1=O 1855335855 VFTLKPVEKPWVTF-QZTJIDSGSA-N 426.583 0.922 30 10 ICEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)c1 1858661205 AVBUSPWZBZLVIE-UHFFFAOYSA-N 427.486 0.792 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1COC1 2247953407 SRDOQYUPIXGAIR-UHFFFAOYSA-N 434.327 0.704 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2258236117 IXCNIEFRYIFSDX-UHFFFAOYSA-N 431.224 0.397 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc2Cl)OC1(C)C 2284413880 BWHSHPXUSJHSLR-VIFPVBQESA-N 425.721 0.815 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CCO)COCc2ccccc2)n1 2320444013 ZZOWRHURJXQYKZ-MRXNPFEDSA-N 430.314 0.812 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462753003 CCJWHVITSCVHIF-CQSZACIVSA-N 447.492 0.912 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525778032 QMIPZKIBNLXABM-UHFFFAOYSA-N 434.477 0.688 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 603797249 FYDFRCICOLJRMA-UHFFFAOYSA-N 426.542 0.270 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H]2CCS(=O)(=O)C2)C1=O 730141916 LRUONGILIIUBEE-JKSUJKDBSA-N 438.575 0.873 30 10 ICEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741449160 LBQRJDMLWLMFLA-MRXNPFEDSA-N 430.534 0.694 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cn1 743725176 HGUDHXKOEJESLR-UHFFFAOYSA-N 449.536 0.832 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(-c3nc(C)co3)ccc2C)CC1 1194097289 PZKFREDAAHHXLR-UHFFFAOYSA-N 438.531 0.732 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N(C)C)C1 1286812244 KWDONYGGEZONJA-QGZVFWFLSA-N 437.570 0.812 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(CC(N)=O)C(=O)C1 1299185651 FLVPHNAHRUEOIE-IBGZPJMESA-N 441.488 0.549 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300338800 HFKQECBDQHDOID-LSDHHAIUSA-N 446.599 0.162 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC)CC1 1300718415 NEZXCKDOURZBSM-UHFFFAOYSA-N 439.476 0.955 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1300989388 APQNGXUBCLZCJV-HOTGVXAUSA-N 426.543 0.800 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301475462 ROSHNRUSOZKDQM-SFHVURJKSA-N 445.568 0.365 30 10 ICEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1313497560 GVWZLTNBNQBHPS-AEFFLSMTSA-N 437.504 0.970 30 10 ICEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1358938463 BEUCMHYAWVGVSP-KFGODFMUSA-N 427.505 0.879 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1358972002 PPZQREZSVBFOKZ-KKSFZXQISA-N 428.514 0.961 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359044041 SGRLMYAUPMFOMT-PKOBYXMFSA-N 439.520 0.752 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359291406 PCZVUKUCAFNELC-CALCHBBNSA-N 433.557 0.362 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nnc2n1CCNC2=O 1462496602 RJTKTDNCHGWADC-UHFFFAOYSA-N 449.265 0.750 30 10 ICEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1505324960 HINGFRKPNKBEJK-HXUWFJFHSA-N 430.534 0.944 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)[C@H](C)CCC 1507617587 WNLJOLKVVBRFPG-CVEARBPZSA-N 440.570 0.233 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1508037961 GOYLOVKSPPUBMR-FOIQADDNSA-N 437.566 0.830 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508143630 IWPHICCETOZYSR-MRXNPFEDSA-N 432.506 0.506 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 1521310174 RMUYEQMAVYDKAO-FQEVSTJZSA-N 428.445 0.768 30 10 ICEE COC[C@]1(CN(C)C)COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536592934 BPNWQBGAQGRZPZ-PGRDOPGGSA-N 443.504 0.569 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1540893143 XZBAOJPMEJCPFD-HOTGVXAUSA-N 449.533 0.985 30 10 ICEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552877656 WACGIBDQOSSHGE-IBGZPJMESA-N 440.552 0.953 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)[C@H]1c1cnn(C)c1 1557298354 FEZNZNRQVHBTJA-NJDAHSKKSA-N 436.516 0.563 30 10 ICEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1568812793 GIUQCVYPXVFRJE-XJKSGUPXSA-N 431.518 0.396 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588780375 NOVKGRCPYFGEFC-HXUWFJFHSA-N 449.964 0.903 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1588865379 WDMIQQSVGZMOPG-UHFFFAOYSA-N 445.593 0.720 30 10 ICEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1594566277 DCKRTVGVMFKXCW-AWEZNQCLSA-N 435.554 0.901 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1595529653 BZKSLPHIRBEIRV-UHFFFAOYSA-N 441.540 0.709 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1620175693 WHVCIVIBRGDTGO-HXUWFJFHSA-N 446.533 0.752 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CCO1 1620355154 HBDOIOOUHVNRHD-DLBZAZTESA-N 438.554 0.021 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F)c1cc[nH]n1 1638891805 AWZQWKSVUGTAKL-NSHDSACASA-N 433.387 0.753 30 10 ICEE CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2CC1 1657132463 KYNCXRCLNNQWBX-HKUYNNGSSA-N 437.543 0.193 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1662998699 FVWZVVIWYNGBIU-KRWDZBQOSA-N 446.547 0.544 30 10 ICEE C#CCN(C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1683988565 FXVINXJUXPVFDP-AYBZRNKSSA-N 449.577 0.940 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC(C)(C)C2)CC1 1690109496 UBVZQKYZQIHGOT-UHFFFAOYSA-N 429.569 0.380 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677385 VVHKYPKDRWGOJC-VGSWGCGISA-N 446.552 0.822 30 10 ICEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1695341062 DBPRNLFMTMPPMK-UHFFFAOYSA-N 435.492 0.693 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1696084463 BKNNAVYMMLRQNE-FRQCXROJSA-N 439.538 0.484 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698309305 NFXSKWMWMIAOGW-SFHVURJKSA-N 445.549 0.578 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565327 GVBBEKOTNZQPSY-SJORKVTESA-N 443.529 0.913 30 10 ICEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705685872 KVRFYFKOONJXHT-CHWSQXEVSA-N 439.314 0.575 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)CC)CC1 1705768934 DJVVJYMXXYIDAD-OAHLLOKOSA-N 426.543 0.246 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1722366908 TXUDFLRUMYDHHL-KRWDZBQOSA-N 430.534 0.369 30 10 ICEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740804706 FTGROPUVRBHAEG-AWEZNQCLSA-N 431.840 0.753 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1748962198 CCDSLUHLQYQLFQ-CVEARBPZSA-N 444.579 0.234 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1749402145 KKZIEDHYLBBGGK-HOTGVXAUSA-N 441.554 0.967 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749671020 XWBATZGEFAVXAT-WOJBJXKFSA-N 440.548 0.940 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1750196875 GKIZTSQKVOBVLM-KRWDZBQOSA-N 428.518 0.966 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760515480 VCKGDZYMAFYFPQ-KRWDZBQOSA-N 445.568 0.949 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1OC 1865728139 BAKKIZYXIVUNNB-MRXNPFEDSA-N 438.484 0.988 30 10 ICEE C=CC1(O)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270506712 UPVQAMFFSXNKTK-MRXNPFEDSA-N 426.491 0.797 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)c1C#N 472273139 GHLVHXMKCDBCEY-RYRKJORJSA-N 431.566 0.975 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481983704 SBILUDALBRPKIX-CQSZACIVSA-N 426.523 0.827 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)CC1 515738472 CVUXIMBWPSDWJH-UHFFFAOYSA-N 425.507 0.237 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 732560952 DNVVHTAIBNHXTD-MRXNPFEDSA-N 427.530 0.431 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145794 OEVLDOJAIUPKDH-UHFFFAOYSA-N 446.492 0.719 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 772699711 FFHBWTZEUSDPEA-DLBZAZTESA-N 440.543 0.406 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 800775252 JUYYNNUQQAEOKF-MRXNPFEDSA-N 434.522 0.532 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc2c(s1)CS(=O)(=O)CC2 1129678642 CSHPDYIKLZTJDT-UHFFFAOYSA-N 426.501 0.291 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1165508656 SHGQXCRYGUEGRE-GVDBMIGSSA-N 440.562 0.900 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](Cn2ccnn2)C1 1167398006 VIVXOJAUTABNMM-RDJZCZTQSA-N 446.533 0.803 30 10 ICEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1cscn1 1183658289 FYXDFZGWQKHLBK-ZDUSSCGKSA-N 433.515 0.666 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1286490169 NBCXNBMZUIGHRS-UHFFFAOYSA-N 440.552 0.807 30 10 ICEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1286541093 GTSGLQCEZNVYAC-AWEZNQCLSA-N 427.347 0.949 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1286607726 JYMGTGTYKWOZIS-IRXDYDNUSA-N 425.555 0.878 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1288526410 VAJGPPXTMIRTJN-MCIONIFRSA-N 448.496 0.774 30 10 ICEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1300018693 LGQVVMCXQIIKRZ-ROUUACIJSA-N 443.529 0.761 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300492898 PNIRWKRYFSWSJX-NVXWUHKLSA-N 429.502 0.610 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1300548398 INDPKBRRGDRNKL-HXUWFJFHSA-N 432.477 0.619 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1=O 1301891529 PHYSSWIHXNTUAY-LJQANCHMSA-N 440.504 0.917 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1314673988 DNRHVRYYQJYWTC-INIZCTEOSA-N 445.549 0.800 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1358978908 XUAGYUSYNVJYLS-IRXDYDNUSA-N 437.566 0.745 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C 1359020302 YGQVGCKCAHFMGC-UHFFFAOYSA-N 433.534 0.913 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359321360 FHSORQXHLMQTRO-VVLHAWIVSA-N 426.539 0.501 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c1 1472120214 BSJFZFXWSIZUIC-OAHLLOKOSA-N 430.486 0.292 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1503769009 CXXBXMCREXIMPX-LAUBAEHRSA-N 444.492 0.783 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCNS(=O)(=O)CC)CC1 1507733771 LTVBIOVJYNTRBR-UHFFFAOYSA-N 438.598 0.871 30 10 ICEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507783888 HFYPZSZMXKMKRA-AWEZNQCLSA-N 427.347 0.901 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507968303 RDJBGMULUCMQIY-IBGZPJMESA-N 448.568 0.356 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c1=O 1559441106 VVLNHXWTDDVNKE-UHFFFAOYSA-N 426.351 0.088 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588046093 XACPLIQCGKLRQV-NVXWUHKLSA-N 444.561 0.825 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)SC)CC1 1588929985 KMHJPWVWZICXOS-HOCLYGCPSA-N 439.607 0.898 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C1 1595723218 SYKZWEPZEIMMND-HZPDHXFCSA-N 425.555 0.830 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1619937296 FYNQYOAEGOCMOP-JOCHJYFZSA-N 425.537 0.652 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1c1cnn(C)c1 1623729845 DTCDBVMMVVTQNT-GUDVDZBRSA-N 426.452 0.270 30 10 ICEE C#CC[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1648130056 BPABSUDUGIXOLT-KRWDZBQOSA-N 439.509 0.593 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 1650846264 PKDBJMWJMLMBAY-KRWDZBQOSA-N 431.522 0.149 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 1677683264 OFCZCUNOQQNQRG-INIZCTEOSA-N 443.570 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCSC2)CC1 1690150555 MFLOLNMLVLPORQ-NRFANRHFSA-N 446.577 0.234 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690677465 XLQIKNZLEWACJA-HNNXBMFYSA-N 425.497 0.494 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCn2cc(CO)nn2)CC1 1722444726 MZFNBTNUAQGTOV-INIZCTEOSA-N 428.541 0.932 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722452205 RYOPGFKTENXMES-GUYCJALGSA-N 442.567 0.286 30 10 ICEE Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724326832 JISJLKSYXJSFHC-VLGSPTGOSA-N 430.490 0.942 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1740610993 QKZKCRJCXDMOSZ-IBGZPJMESA-N 446.577 0.812 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743814447 MQZPMLSBBKUYPS-AYGAQVIVSA-N 428.497 0.532 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1748864080 PGOVNEYUXBPQBA-MRXNPFEDSA-N 429.550 0.861 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1748989553 NDEXOKNCMZLNFS-GUDVDZBRSA-N 435.594 0.997 30 10 ICEE COC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749493015 QEOLSGPGYHCFIF-MYDZZUQKSA-N 443.508 0.618 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCS1(=O)=O)C1CC1 1749508222 LHYAMVFMIJWHGY-CYBMUJFWSA-N 432.572 0.079 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1760173461 WFQFRKKNRTVEAG-UHFFFAOYSA-N 427.490 0.629 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1760184828 ZIEYVIXPPSPJPE-MRXNPFEDSA-N 446.533 0.979 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1OC 1760210211 OFNGEZPARUPIGU-OAHLLOKOSA-N 447.565 0.704 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760263131 OTFNEZFFEVZVMC-QFIPXVFZSA-N 443.573 0.368 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760542613 NIFAQCLIDZWGTF-JTDSTZFVSA-N 426.539 0.851 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1769897086 WYKOISNQEMNUII-RBUKOAKNSA-N 440.504 0.652 30 10 ICEE CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)C1CN(c2nccnc2C#N)C1 1849770904 HILVYKVFJXHONF-SFHVURJKSA-N 444.492 0.988 30 10 ICEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN(CCO)Cc1ccccc1 1870355342 STDGRDKGPAJWHC-UHFFFAOYSA-N 429.517 0.906 30 10 ICEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255624913 JZOJXVQQDZZTIS-KGLIPLIRSA-N 436.318 0.429 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255628625 KKKNRYWRAUZSJL-KBPBESRZSA-N 436.318 0.809 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N=c1[nH]cc(C#N)cc1C)NC(=O)OCc1ccccc1 2286019630 BWKLNMSOVKPSEO-INIZCTEOSA-N 432.458 0.893 30 10 ICEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 483490952 RPPNSWHTRYKZQP-DZGCQCFKSA-N 443.551 0.765 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 509010233 HVWKGLBQUGKIPV-RLFYNMQTSA-N 427.527 0.181 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)c1 539598868 WPZQIAQPJXYWPZ-UHFFFAOYSA-N 430.555 0.767 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4CCOC[C@@H]4C3)nnc12 680458639 UPVFGQDKUIHTBB-HNNXBMFYSA-N 440.529 0.865 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCN1C1CC1 732652096 NCSMQQQIELXBAB-IAGOWNOFSA-N 444.513 0.822 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C 772274566 GEGYZLWCHNHDNN-UHFFFAOYSA-N 436.331 0.783 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]3CCCO3)c2=O)cn1 772279706 QWWQIZCLBHMPFA-MRXNPFEDSA-N 443.529 0.042 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774179162 MLCFSQMCXWRCTR-IEBWSBKVSA-N 432.546 0.720 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 916516027 BXCULBFCBPFJAA-UHFFFAOYSA-N 428.518 0.904 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286325573 WENZXBHVHZVSHO-QGZVFWFLSA-N 436.520 0.853 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1286431885 ZVZBAHJJMLZNLR-IBGZPJMESA-N 433.516 0.972 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793384 XCGHZFPTBYWAKH-LAUBAEHRSA-N 434.541 0.726 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286820789 RTWVRHVZTZQNKY-HOTGVXAUSA-N 425.555 0.865 30 10 ICEE Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290853019 UOXKHSMXZVIXQE-ZCXUNETKSA-N 428.497 0.451 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1300283700 OAQQJUKTFIHADN-OAHLLOKOSA-N 428.522 0.945 30 10 ICEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300394135 MMADIMQRPHGYQN-OAHLLOKOSA-N 438.488 0.523 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)n1 1300676550 PQSKALBXSMBBGE-UHFFFAOYSA-N 443.552 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(N)=O)nc2)CC1 1300719797 QFUZDKAJKBDZTP-UHFFFAOYSA-N 446.515 0.792 30 10 ICEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301248840 LCZARDKRTKEWSB-MRXNPFEDSA-N 426.481 0.801 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1301478374 JTUVGDALOCYCTF-AWEZNQCLSA-N 427.575 0.111 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C1 1301537542 BRBLYIZOBMGJGQ-YPMHNXCESA-N 427.556 0.878 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)CC1 1359035805 DZWHGFXCUKSACL-INIZCTEOSA-N 432.550 0.843 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1443353657 GJXHWBONNOETFJ-MJGOQNOKSA-N 427.423 0.081 30 10 ICEE COC(=O)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1466481204 XJAYMFNCYLEJTR-QAPCUYQASA-N 441.488 0.859 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1507660138 MXNDFJVACWKAIJ-HNNXBMFYSA-N 434.497 0.964 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508084394 NUWVMDVCYRGYOJ-LJQANCHMSA-N 425.537 0.867 30 10 ICEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1519121420 DAULKRKEPJHDGV-UHFFFAOYSA-N 427.509 0.633 30 10 ICEE C#CCN(C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCS(=O)(=O)C1 1520935667 VAUBBJRYYOFWEW-CABCVRRESA-N 427.523 0.103 30 10 ICEE C#CCN(C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)[C@H]1CCS(=O)(=O)C1 1530297945 QEAHHYMFTOTKQK-LBPRGKRZSA-N 427.385 0.682 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1539178130 DZJXJFHLRJHAGB-GOSISDBHSA-N 449.533 0.746 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1540201468 VKGBABUTNKJACR-INIZCTEOSA-N 440.526 0.595 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1556543454 AXIFAZWXFAWLPH-PKOBYXMFSA-N 430.553 0.420 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1558075586 YBHOBPHMMZLHTQ-JKSUJKDBSA-N 428.555 0.682 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CC)CC1 1588742377 REEJJIPTSAXYRN-QZTJIDSGSA-N 437.614 0.518 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(OC)CCOC2)CC1 1588924087 VBSLHOZFMKLYFU-KKSFZXQISA-N 430.509 0.001 30 10 ICEE C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C(=O)c1cscn1 1629301579 SGQXRYRIKCVYCP-ZDUSSCGKSA-N 447.542 0.945 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 1681797707 AJUCMVDCJUDDDK-UHFFFAOYSA-N 444.561 0.908 30 10 ICEE C#CCN(C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1682263491 PXSWNQIYKRJANU-JKSUJKDBSA-N 439.509 0.571 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1690236045 HUQFRGYEIXOTSN-CRAIPNDOSA-N 434.541 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1690724319 MBAUZGKTYUEPRF-HNNXBMFYSA-N 442.567 0.151 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705829587 WMTGMRPSCLLJRE-QZTJIDSGSA-N 445.568 0.565 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCOCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722368023 OSTIXRIIJBGNRX-MRXNPFEDSA-N 444.579 0.234 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)CC1 1722438042 RZCMRMNYJPOPIZ-INIZCTEOSA-N 430.534 0.387 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722491198 IMXTUAHFLQPZDI-LEOABGAYSA-N 427.527 0.431 30 10 ICEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 1722643273 HHKYGRZAGMHGCQ-QGZVFWFLSA-N 425.536 0.441 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)F)CC1 1740876141 DHYDNBAYIISTIB-HNNXBMFYSA-N 448.540 0.964 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749022420 JOCPPZKXLOFBMV-QKPAOTATSA-N 427.596 0.973 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1749114814 HNJIBIQANPEOLO-KURKYZTESA-N 434.541 0.739 30 10 ICEE CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1750524096 GNKJLVLIIRXVRU-INIZCTEOSA-N 440.508 0.765 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2ccnc2C)CC1 1760265009 KPVASIRDNNBCMK-UHFFFAOYSA-N 426.525 0.587 30 10 ICEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760565592 AJWDZTQEXIFDJF-HNNXBMFYSA-N 434.566 0.628 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1772567124 OBWATWCJMTWHSL-JKSUJKDBSA-N 440.570 0.588 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2=O)CC1=O 1853738165 HIRUFISQWJVIOM-LBPRGKRZSA-N 443.884 0.873 30 10 ICEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 10044927 HKAFTLNMHPBAOR-IZZDOVSWSA-N 440.456 0.986 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NCC#CCOc2ccc3cccnc3c2)n(C)c1=O 90743481 SQMYFEJPIJSAJD-UHFFFAOYSA-N 432.440 0.181 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)C1=O 550618424 MTPVKVMLLGJQOH-MSOLQXFVSA-N 425.489 0.880 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(OCc3ccccc3)CC2)C1=O 726043038 OTJKXHSGPNMTKK-UHFFFAOYSA-N 443.456 0.714 30 10 ICEE CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 735200858 NJQOIBDEKKIFLU-LQGOGPKYSA-N 428.536 0.323 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 795077789 FMTRPVNKSISVJH-XLIONFOSSA-N 428.537 0.002 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)cc2C1=O 816461673 USXSSDOMHSHDRN-CYBMUJFWSA-N 430.442 0.745 30 10 ICEE COc1ccnc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 918334246 QGIPCQNSCPKOBI-UHFFFAOYSA-N 444.517 0.653 30 10 ICEE N#CCCN(CCN1CCOCC1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1136458189 WGXCCIJHRITXMW-OAHLLOKOSA-N 426.564 0.662 30 10 ICEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1174797793 KVNGGDLVABWKBB-MRXNPFEDSA-N 438.550 0.383 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1286386606 DTFQCAUVGVAYKE-INIZCTEOSA-N 441.517 0.872 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1286785462 GAALDAPDBRVRKK-ZDUSSCGKSA-N 429.481 0.270 30 10 ICEE CCOCc1nnc(N2CCC[C@H](NC(=O)CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297223166 NAVJUZXXKJMTRN-CVTQAYBASA-N 445.524 0.836 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300495157 DRTAHYWFVYMMJY-DLBZAZTESA-N 435.550 0.325 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1300505688 FRUPOLVKLNSWTI-WNRNVDISSA-N 438.550 0.808 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301595056 MEJHFXVXXSOQAE-YNEHKIRRSA-N 431.540 0.922 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)nc2)CC1 1359029508 ZKSRJSGZWNSOHD-UHFFFAOYSA-N 445.487 0.223 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359133394 RGTOOPBBAKJSDZ-IXDOHACOSA-N 437.566 0.830 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N=S(C)(C)=O 1451984926 YGENUPDJAJZVFK-CYBMUJFWSA-N 428.536 0.510 30 10 ICEE CN(C[C@@H]1CCOC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1503559941 PZSMFNDEDFSXSP-DNTCVELPSA-N 443.508 0.400 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504925761 NEXNOOORODXFQD-VXPUYCOJSA-N 429.525 0.525 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1507564452 PSOLFFMOXZFGQP-QGZVFWFLSA-N 434.522 0.965 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507629898 XVTISYUFJPYCTE-INIZCTEOSA-N 431.518 0.999 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1507751482 OQJWQENIRWGAFW-HNNXBMFYSA-N 440.595 0.398 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1507844294 HJMITXBOOHNRQH-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1509756878 MONRDCLFAUTKCG-MRXNPFEDSA-N 437.508 0.347 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1539220871 VUARTFZPQUSYER-ZDUSSCGKSA-N 431.509 0.875 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539221833 RFAXMOAUJJIAON-CVEARBPZSA-N 437.566 0.714 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539230925 ROTXIRQUVVLFKG-QZTJIDSGSA-N 448.549 0.182 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCN(C)C2)CC1 1539469158 OGFYPGPIVOHZSN-HTAPYJJXSA-N 448.568 0.035 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539481832 ONLCSDPIKRVDQX-SJORKVTESA-N 428.537 0.663 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540902190 CMVFAHUKZFTDLL-IAGOWNOFSA-N 425.555 0.878 30 10 ICEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)c1 1552881341 WGYHLGLNGXVDRX-HNNXBMFYSA-N 432.506 0.449 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1593637143 YJPAKAVMOIDXKM-KSSFIOAISA-N 440.526 0.218 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1594784289 VZDMPOHHKJXFOT-AWEZNQCLSA-N 430.531 0.369 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1595551840 WIMCSRIGBJYXOJ-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE Cc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612579930 RNZFMSDOHWOJHP-RJCBAWPRSA-N 427.509 0.856 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)CC1 1685756532 MHXMOZRVUUDPAL-FXAWDEMLSA-N 434.518 0.464 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689841535 ISRGYQMYHRVKSB-JLTOFOAXSA-N 434.518 0.970 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCS(=O)(=O)CC1 1690074228 VPPMTHNAESTLDO-UHFFFAOYSA-N 435.506 0.405 30 10 ICEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690174989 NPRWITUNQGZPQP-UHFFFAOYSA-N 431.570 0.568 30 10 ICEE COCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1698092250 NPQZTYDQXASSCB-MEUCICPISA-N 429.525 0.839 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C(C)=O)CC1 1698254273 KCJFXHUXOQOLBV-OTWHNJEPSA-N 432.525 0.989 30 10 ICEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705531598 PLAMBILNWXBCTL-UHFFFAOYSA-N 449.519 0.529 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1706848030 BNQWOKUSCXKTPX-RDBSUJKOSA-N 432.572 0.594 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1709191600 GUVWJULGJFKXDB-ROUUACIJSA-N 426.477 0.859 30 10 ICEE CN(CC1CC(F)C1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1711130723 KHRWBYPCNIKZJZ-KBJZLECMSA-N 431.472 0.940 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC(C)C)CC1 1722446795 BQTSHIDMYLPGHM-QGZVFWFLSA-N 437.566 0.571 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCOC)CC1 1722543693 RYIANCFVKBSQDN-CYBMUJFWSA-N 448.977 0.620 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1722843760 QJFYRUMIHHFRPR-PGRDOPGGSA-N 437.504 0.636 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1731017893 CJHNSCWRXVRCES-UHFFFAOYSA-N 429.550 0.898 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1 1740601975 BVRHCPGVPXLOQI-UHFFFAOYSA-N 428.522 0.934 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1748959047 LYLHDUVQSIZCJT-OAQYLSRUSA-N 445.593 0.973 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760242919 RXXTUISKIKNVCE-MRXNPFEDSA-N 438.554 0.024 30 10 ICEE CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768591103 ABEWRXLHQSSCBX-UFOSLELVSA-N 445.524 0.659 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1771188092 TVXBTTNDQYKPHV-DNVCBOLYSA-N 441.554 0.682 30 10 ICEE CC(C)C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCOCC1 1850333903 JEPPLAKUSZGFRY-GOSISDBHSA-N 425.526 0.971 30 10 ICEE Cn1nc(CNS(=O)(=O)N2CC[C@@H](C#N)C2)c(I)c1Cl 2174384709 WEJSBOLZUSUCGN-ZETCQYMHSA-N 429.671 0.858 30 10 ICEE CC(C)(C)OC(=O)NCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)COC1 2248441540 TWGCJYQQPGGXTL-UHFFFAOYSA-N 440.331 0.739 30 10 ICEE Cn1cc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255608734 AIDHKQRQISCOID-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE Cn1nc(C(=O)NCCOCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255840858 SQOHGYPQJIRGCK-UHFFFAOYSA-N 438.334 0.990 30 10 ICEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267113687 XPZGZOPXLMWMPC-MNOVXSKESA-N 445.251 0.643 30 10 ICEE CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C#Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O 137541356 VCGDSDMQNHEDIK-KCYZZUKISA-N 426.347 0.221 30 10 ICEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 433003762 AXTPCGSXDRQAOM-CYBMUJFWSA-N 429.296 0.336 30 10 ICEE CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 503629746 PZXAQALOFJGWGJ-AWEZNQCLSA-N 428.536 0.397 30 10 ICEE Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507993382 VODHKNKXOZOERW-UHFFFAOYSA-N 429.506 0.434 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 514420260 YGMLAWZMWVMGIQ-CTNGQTDRSA-N 432.613 0.744 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 515662597 RKCISQYCRVIVLJ-AWEZNQCLSA-N 448.508 0.158 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 554150232 IDXBIXLFOJLQAL-INIZCTEOSA-N 442.541 0.829 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 554198068 SPEWJYJNVOHXKH-UXHICEINSA-N 445.479 0.697 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 727415459 QKKPVGITCVWONH-INIZCTEOSA-N 431.514 0.728 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749856565 UCCQIPJXAHYPST-OAHLLOKOSA-N 437.525 0.623 30 10 ICEE Cc1cc(N2CCC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n(C)n1 768313255 KQIMATZFOYGAGP-HNNXBMFYSA-N 430.534 0.942 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c1 1150216871 VRYZLWDWUSZUTP-UHFFFAOYSA-N 442.559 0.608 30 10 ICEE N#Cc1cn(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)C2)c(=O)nc1O 1159491578 YNUYWGNKQSFMGV-UHFFFAOYSA-N 443.485 0.305 30 10 ICEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 1213831628 CDADZWYGNVJRIO-UHFFFAOYSA-N 433.621 0.948 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1253780357 YEKSVCZVFBKCDN-AWEZNQCLSA-N 436.490 0.072 30 10 ICEE C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1254487711 COIJXZYWUIWBIL-CVEARBPZSA-N 441.550 0.541 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1286376128 FXCPUJPOEVVZSF-PWFNWSNSSA-N 431.584 0.228 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1286772867 FTYHEZJAHGAQPT-CVEARBPZSA-N 446.595 0.786 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)C1 1286811104 ZRVMGBZNFVDJFL-CHWSQXEVSA-N 439.460 0.955 30 10 ICEE CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1298002562 AIUDXFMWIUOWHU-QGZVFWFLSA-N 436.520 0.906 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300673586 QUYDLLSPTXPXAV-NRFANRHFSA-N 448.545 0.513 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358965725 AAQZOSFJGBXEFP-GJZGRUSLSA-N 427.502 0.012 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1359010076 GDAQNGQZEOVYKC-HBIPHATFSA-N 445.611 0.618 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359301497 AFXIVHWOKDUENM-QZTJIDSGSA-N 431.585 0.769 30 10 ICEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCOCC1 1461714077 QNLWQYCTBGVQIQ-HXUWFJFHSA-N 433.530 0.698 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507512296 GJSDOAUMRMDBSY-CABCVRRESA-N 431.522 0.665 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1507517583 QNBWHSSWZWPIJL-BBWFWOEESA-N 426.587 0.703 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507621747 BWACEQNEQUWRCH-JKSUJKDBSA-N 445.549 0.502 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507623293 URGMAISZJOOEEJ-OXQOHEQNSA-N 435.550 0.710 30 10 ICEE COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519403116 DHMYSWLLIZQBMS-WBVHZDCISA-N 438.554 0.020 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1519528494 DIPLTNCKGJGECE-CVEARBPZSA-N 436.563 0.941 30 10 ICEE C#CCN(CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(=O)OC(C)(C)C 1544451277 TXUCZBRGWYVDNZ-UHFFFAOYSA-N 444.536 0.832 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)C1=O 1557365236 YKWQQLVAAALVJT-ZIAGYGMSSA-N 438.481 0.351 30 10 ICEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1561875779 GOOXVGBKXYJMPO-LIRRHRJNSA-N 439.490 0.926 30 10 ICEE N#Cc1cn(CCNC(=O)/C=C\c2ccc(I)o2)c(=O)nc1O 1585296332 SKKCFIBBWBSXDI-RQOWECAXSA-N 426.170 0.848 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1587990501 YLEATOLFAWFDND-OAHLLOKOSA-N 443.595 0.593 30 10 ICEE COC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619715582 AHDQNWXDWLKEJD-ORQRPPJRSA-N 429.481 0.228 30 10 ICEE C[C@@]12CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@]1(C)C(=O)NC2=O 1620487003 NSOCIXBOBFUFSM-BULFRSBZSA-N 427.480 0.519 30 10 ICEE C=C[C@H](CO)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1659536816 WGNWFRRUWSURLP-WJHGTXIHSA-N 435.527 0.869 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 1681888593 SHSJHAOUVBDOEL-FQEVSTJZSA-N 435.594 0.938 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1690111711 IITUGLUYXRFSLX-KBPBESRZSA-N 432.497 0.068 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(C)(=O)=O)CC1 1690132053 FPYHHHMECFPTMM-UHFFFAOYSA-N 436.563 0.069 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1690464911 NBJSTJDGICNXAC-QGZVFWFLSA-N 440.570 0.636 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705923020 XLLAAJJJMAITRL-HZPDHXFCSA-N 433.538 0.940 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706836367 JGAMWOYSKSJPDH-XAGMJWQQSA-N 436.538 0.626 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1722369962 JQMVMHDVSPNTMA-DLBZAZTESA-N 425.555 0.335 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1722464810 SCGFCAKCDMMTAP-WMZOPIPTSA-N 437.566 0.664 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1740550030 HLCWTQBFZZJUIR-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1740611050 SCIGTADIZQAOAH-MRXNPFEDSA-N 434.522 0.522 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627943 UDRRKWGOZNYZFR-JKSUJKDBSA-N 435.550 0.454 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)CC1 1740703987 FBNMPZRDRNGXBJ-UHFFFAOYSA-N 448.487 0.610 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCOC)C1 1740982393 UBAMMNVWYQETDT-FRQCXROJSA-N 428.555 0.749 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1741119389 MSRRVXYXWGRUIK-QGZVFWFLSA-N 446.533 0.878 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1741131668 GYFHBYBSCDXXDH-UONOGXRCSA-N 439.567 0.906 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748802249 OFEFVPAMHGVFJO-QGZVFWFLSA-N 433.534 0.488 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)CC1 1748990614 JZGVWUYLECMXGR-SFHVURJKSA-N 427.553 0.777 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1749731939 NWALSFGGWNLENO-KGLIPLIRSA-N 434.526 0.300 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cs1 1762296138 GWZYHYOLAZXTPW-HNNXBMFYSA-N 431.522 0.645 30 10 ICEE CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768591100 ABEWRXLHQSSCBX-HMWBCQRISA-N 445.524 0.659 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)[C@@H](C)C2=O)CC1=O 1855050217 JXFJZMVUIRXXTP-STQMWFEESA-N 441.456 0.747 30 10 ICEE CCN(C(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1858421764 DEICXMUBOOYJDP-JKSUJKDBSA-N 425.532 0.604 30 10 ICEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613909 XZRADQRNPJHWPN-NXHRZFHOSA-N 429.473 0.480 30 10 ICEE CN(C(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)C1CN(c2nccnc2C#N)C1 1891352325 NHWQKBTZLYHCOM-CYBMUJFWSA-N 441.517 0.354 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CO)C1 2255626814 KVURWZKLSICCJE-CYBMUJFWSA-N 436.318 0.763 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2255880269 CDYPHPZDSZKUBR-UHFFFAOYSA-N 433.318 0.807 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)o1 471185634 CUNUNSNWTDXBTC-KRWDZBQOSA-N 443.525 0.606 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(OC)ncn2)CC1 572305869 CUVJQYQSEUKGGZ-HNNXBMFYSA-N 433.538 0.882 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CCN1CCOCC1 760376630 CDMPQYLRKLCSKL-UHFFFAOYSA-N 432.509 0.454 30 10 ICEE CC#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 810776666 CPNROKNAYBECPG-VMJIZDNZSA-N 438.505 0.935 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1286380041 GEJRBSNZBGMJJX-KRWDZBQOSA-N 437.566 0.958 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286507786 DUKXJPSZLMZFFV-UHFFFAOYSA-N 447.609 0.414 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)CC1 1286663455 MJHSUYPEEIYOHN-INIZCTEOSA-N 437.566 0.865 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286792172 OXWYJUUBZNHPRL-HNNXBMFYSA-N 428.493 0.835 30 10 ICEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cs1 1290418762 YUYKRHAQSKYBLG-DLBZAZTESA-N 440.526 0.625 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1299073088 GRIKQBMDTCYOMP-GOSISDBHSA-N 437.504 0.638 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CCO1 1299133850 MWAWITSWKBUNEP-SFHVURJKSA-N 437.460 0.951 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1299300004 AFKDOWSRSYKOAP-WMLDXEAASA-N 434.522 0.606 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300421699 OJZYPCDOEKZPDD-SFHVURJKSA-N 427.509 0.581 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1300763029 MOARXNSLKKSYNE-FCEWJHQRSA-N 440.591 0.931 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358957061 PBSBDBHLHSJMSY-ZWOKBUDYSA-N 438.550 0.593 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358962229 MKOTYYRTMSDFSG-ZIAGYGMSSA-N 449.562 0.259 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2c(CC(N)=O)cccc2C1 1454680856 ZGCLSNLXBGSMNA-CQSZACIVSA-N 426.498 0.838 30 10 ICEE CC(C)c1ccc(CN2CCN(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)CC2)cc1 1459192221 WJHDCDNDMUIXLT-UHFFFAOYSA-N 439.516 0.342 30 10 ICEE COc1cc(Br)c(F)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1464107718 AQJHRWPQGLKQIE-UHFFFAOYSA-N 447.242 0.709 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1507615793 BHGLCSHNOILXGI-KRWDZBQOSA-N 434.522 0.596 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632496 MDFQKIJYWDOJES-KZNAEPCWSA-N 437.566 0.129 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1507669733 QOEZXRRIMVRVEN-OALUTQOASA-N 431.562 0.902 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1507671937 SBPLHWBYGFLECC-SFHVURJKSA-N 445.549 0.279 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCOC)CC1 1507885144 STYGXTJDABNBIJ-INIZCTEOSA-N 429.543 0.430 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508085502 UYQOUYFBOMYLTI-AWEZNQCLSA-N 438.579 0.703 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508093231 UQXGRBJLRJEQIY-RDJZCZTQSA-N 447.565 0.285 30 10 ICEE CCN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1515709657 GAIXYLSUHVCRKG-GOSISDBHSA-N 441.533 0.514 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1539239755 QLWUCSHVJCGKDV-HOTGVXAUSA-N 429.502 0.801 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2noc(CC)n2)CC1 1539477261 KTQPARFBWCRVNY-UHFFFAOYSA-N 437.508 0.833 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1543504811 BQLJNMSFYSJCMP-HNNXBMFYSA-N 425.493 0.874 30 10 ICEE N#Cc1ccc(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Cl 1559637035 GLZWHEQSLMGCKC-SJORKVTESA-N 426.926 0.628 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587990257 USVSDGHNLYYBHP-VQTJNVASSA-N 443.573 0.865 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1593695985 KFMQXTYKIZIMCV-HUUCEWRRSA-N 429.543 0.870 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCC(=O)OC)C[C@H]2C)s1 1624133894 WXBNZPAGGGGLNO-CQSZACIVSA-N 429.564 0.851 30 10 ICEE N#Cc1c[nH]nc1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1630643026 HLUYOGKCIDMHGG-UHFFFAOYSA-N 434.453 0.672 30 10 ICEE CC(C)Cc1nnc(NC(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1635697078 GQSKYYDQDKELJX-SJCJKPOMSA-N 425.536 0.852 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)c1cc[nH]n1 1643478818 JBOQVXFPPWERBO-INIZCTEOSA-N 427.461 0.858 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(I)cc2)c(=O)n1CCO 1644183512 HYMNQGVSJLNOKP-UHFFFAOYSA-N 439.209 0.670 30 10 ICEE CC(C)(C)OC(=O)NCCN(CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H](O)CO 1646354115 OILJRNDWLPDBMA-MRXNPFEDSA-N 427.523 0.512 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 1655552032 APCGDCARTWWLLI-UHFFFAOYSA-N 439.519 0.021 30 10 ICEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C(=O)OC 1656493516 QWZMEAMBPKAWQD-QRVBRYPASA-N 446.479 0.429 30 10 ICEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1679284824 QKFPCYHZXPBHRZ-MPGHIAIKSA-N 425.532 0.819 30 10 ICEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1689930266 NZICNWASEIAMGD-SFHVURJKSA-N 438.536 0.817 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689980484 SPNYWUQLQQPNMM-GHMZBOCLSA-N 443.473 0.077 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1689986209 KWMZQBBVQOMLHZ-SFHVURJKSA-N 432.550 0.545 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689986552 SEFCBKLXYHBNAK-MJGOQNOKSA-N 444.561 0.688 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689987820 CRHPVSGCLGDZBD-AVYPCKFXSA-N 447.517 0.357 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1690102024 AHIVCYYDEAQPCC-INIZCTEOSA-N 426.539 0.198 30 10 ICEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1690680585 WGZLNVBOKDZODQ-QZTJIDSGSA-N 440.504 0.794 30 10 ICEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)C1 1696198430 APOYDEYWHKIHNU-DKTYTTGXSA-N 440.504 0.698 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1696331759 JJJYHUFBSBIJRJ-HRAATJIYSA-N 427.509 0.948 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1705534434 IGHKLDBKBKWXSY-QGZVFWFLSA-N 446.533 0.688 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1705598607 MKMNREOUBRAGOH-UXHICEINSA-N 446.621 0.669 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705903518 XIMSNQFWUZGNRG-RTBURBONSA-N 431.585 0.691 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722368498 REZRFMFRCDSQCU-FUHIMQAGSA-N 440.566 0.586 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCOC2)CC1 1722452305 DGKGIMRHMUVNBB-NPPFBWRTSA-N 447.536 0.119 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722727864 LYFMLJMTUXRJLC-KSZLIROESA-N 439.582 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722729799 XPNMARZXLGTWDE-MRXNPFEDSA-N 431.522 0.079 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1729741764 BIBDVRKPSXBPOK-KRWDZBQOSA-N 442.505 0.409 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1740609961 QVNJODFPGUYTDJ-MSOLQXFVSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1740625535 QVTQVYOVNBLRCO-MOPGFXCFSA-N 435.594 0.704 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1760249962 VOLYLCXTNKWIRA-ZACQAIPSSA-N 441.554 0.122 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2C[C@@H](C#N)[C@H](c3ccccc3Cl)C2)n(C)c1=O 1849859355 DODFKSDJYIZPSV-TZMCWYRMSA-N 426.864 0.853 30 10 ICEE CC(C)CS(=O)(=O)N1CC[C@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)C1 1855026212 FBBCWZKKWXJJCZ-IBGZPJMESA-N 432.546 0.832 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Br 391807457 LNEVOVHKBXXKNN-LLVKDONJSA-N 436.305 0.958 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCOc2ccc(C#N)cc2)c1 460292679 HBJCMQBNYHHOTD-UHFFFAOYSA-N 432.502 0.946 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 485944461 XISPZOCKHTUDMH-DNVCBOLYSA-N 435.502 0.832 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 514420268 YGMLAWZMWVMGIQ-TZIWHRDSSA-N 432.613 0.744 30 10 ICEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546902314 BIYPTWGGVJEBSZ-UHFFFAOYSA-N 431.474 0.580 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 554198070 SPEWJYJNVOHXKH-WOJBJXKFSA-N 445.479 0.697 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 669810810 NGURMZRHOAWJCR-RYUDHWBXSA-N 425.433 0.565 30 10 ICEE N#C[C@H]1CN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCN1C1CC1 758018111 RMRAGHVHEMWGAV-KRWDZBQOSA-N 439.476 0.771 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 767626771 ITCUVQQCFUIJEJ-XJKSGUPXSA-N 431.474 0.616 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cn1 772280593 XBFOUOAZLZCJIB-UHFFFAOYSA-N 439.541 0.411 30 10 ICEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649029 MNTKSNJBDBUPDX-UHFFFAOYSA-N 442.541 0.702 30 10 ICEE N#Cc1cn(C2CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)c(=O)nc1O 1180988702 GKQBZIRRISXJQQ-UHFFFAOYSA-N 434.861 0.864 30 10 ICEE C#CCCN(CCOC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1192941271 MFUDPDYUIPXCRH-UHFFFAOYSA-N 430.548 0.676 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 1213522480 QZRDQYRTKKFZQC-UHFFFAOYSA-N 426.347 0.908 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1286496282 PKCDJAAXPDZIOH-AWEZNQCLSA-N 444.583 0.533 30 10 ICEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286753321 ATCAWUZIBRGILV-MOPGFXCFSA-N 426.539 0.658 30 10 ICEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286776042 XFMUEWGKIAJSSF-UHFFFAOYSA-N 429.435 0.668 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286785794 IVNHYGLINHMIPK-GJZGRUSLSA-N 428.497 0.682 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1300499398 REIRJKZKWYAXCQ-KRWDZBQOSA-N 444.561 0.663 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359126125 GJJWQLVVULOKHI-TXPKVOOTSA-N 443.570 0.865 30 10 ICEE N#Cc1cnc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 1443489224 FOXYHBKMNQTGHJ-OAHLLOKOSA-N 426.926 0.958 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 1467893376 GGEDUGMAOYRICF-UHFFFAOYSA-N 435.428 0.318 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(Br)c2OC)CC1 1471450700 HJNSMWRIJCJOQD-UHFFFAOYSA-N 434.287 0.822 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1478419693 AHZFPZZZHCQMBZ-SFHVURJKSA-N 431.518 0.873 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)CC1 1478461841 RGKVSHNCACGGAV-HOTGVXAUSA-N 429.543 0.038 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1503254853 PFOYWLBLVZKOGD-IAGOWNOFSA-N 428.518 0.966 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507637679 LZZFZIAKMHFYIM-QZXCRCNTSA-N 428.580 0.743 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1507690116 PTBUBRLXONDQJH-SJORKVTESA-N 447.565 0.530 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCOC2)CC1 1507722628 CEMFPNRHYQDIBY-QFIPXVFZSA-N 427.505 0.869 30 10 ICEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507743664 IJKXFYZPXXVHML-HUUCEWRRSA-N 444.517 0.652 30 10 ICEE CC(C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509005509 YYGSXGCUOZPZEN-CZIZESTLSA-N 444.540 0.138 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCCCS(C)(=O)=O 1510180144 YABJUPJDZDUCCO-AWEZNQCLSA-N 446.599 0.843 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1519528858 GERYVGVKQXNPTQ-UHFFFAOYSA-N 448.549 0.687 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1539245301 DRIJVTACTUSJHE-UHFFFAOYSA-N 434.543 0.856 30 10 ICEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587808424 RESURWNSRXLBIL-QGZVFWFLSA-N 434.541 0.589 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1589070036 QCNIAYRKMHDWCY-RHSMWYFYSA-N 442.542 0.419 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1589070856 YMVGFNPKEQRIPN-KDOFPFPSSA-N 425.580 0.509 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595550307 CGCUJYPNMXXHFX-YOEHRIQHSA-N 426.477 0.760 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1595759044 CWNQGLILHWNRBD-UHFFFAOYSA-N 431.584 0.366 30 10 ICEE O=[N+]([O-])c1ccc(O)c(/C=N/NC2=N[C@H](Nc3ccccc3)N[C@@H](N3CCOCC3)N2)c1 1616176069 BPKKQCXCPWLQPR-ILBGQUFFSA-N 440.464 0.784 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1617794982 WYVSVOUFLNPWMI-UHFFFAOYSA-N 428.493 0.511 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CCN1S(C)(=O)=O 1620318505 JUXWJCZBZQKQLR-HNNXBMFYSA-N 446.533 0.724 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 1622886854 WEQWQIHPGCHCRB-MRXNPFEDSA-N 436.534 0.988 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)CC1 1632811452 XFVKOSXGELCWBU-OAHLLOKOSA-N 432.506 0.516 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)ccc1F 1648036833 ICBMWEJZXWLSEA-MRXNPFEDSA-N 427.498 0.463 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689980080 LIADINNHOQWOKH-HUUCEWRRSA-N 435.472 0.476 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCSC1 1692780914 DXORXRQYHZGJBO-RRQGHBQHSA-N 428.584 0.886 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705568529 PJAKQVUDPGCYKT-KRWDZBQOSA-N 442.545 0.779 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N[C@H](C)CC)CC1 1705647452 GOPFEXLFNRMRDW-NVXWUHKLSA-N 443.552 0.500 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705908768 HATZVJPEXCZRKM-UVFQYZLESA-N 434.497 0.335 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCSCC1 1712912591 ANPDVZUUEFLPRI-ZCXUNETKSA-N 431.522 0.480 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1722621660 BGNZIEWDODGPQE-HOTGVXAUSA-N 428.559 0.002 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722699314 UFFRKYZZZUVFHU-GJZGRUSLSA-N 433.538 0.210 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1cccc(O)c1 1740533112 OYMVVJNNNDVVJF-HUUCEWRRSA-N 448.549 0.872 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1740618222 FGEPRSRYXLULOL-JXFKEZNVSA-N 433.534 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740958579 RAQPZMWAIFMHNO-KRWDZBQOSA-N 443.552 0.760 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740978872 DKVDFTSPPFZVOV-FCEWJHQRSA-N 426.539 0.503 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1748129699 UHCBXBJRBRSEQZ-UBSPPKPUSA-N 431.497 0.474 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1748751336 GGVPWQPNIIUZDF-QGZVFWFLSA-N 435.554 0.784 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1748802187 MXTJTXUVXSPWRE-INIZCTEOSA-N 436.582 0.527 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1748847788 XDMPSIBBZMOQNJ-GOSISDBHSA-N 433.578 0.488 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749230167 UKFMIGKDFMBFDY-SJORKVTESA-N 441.554 0.114 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749678193 YVHKRYJMXABUSA-QGZVFWFLSA-N 426.525 0.643 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1749721825 URUZMWAEFKORDB-CQSZACIVSA-N 440.570 0.464 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1760170970 UFASZYCOJPGLEV-UHFFFAOYSA-N 448.531 0.426 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760191107 ASHSRWDJEBZCPJ-SFHVURJKSA-N 448.593 0.513 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)[C@H](C)C2=O)CC1=O 1854615651 RLKIZZXGDKUCRU-OLZOCXBDSA-N 441.456 0.747 30 10 ICEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)C4CC4)C3)CC2=O)cc1 1855022192 VUALKCHGZPUFNG-SFHVURJKSA-N 430.530 0.728 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)C1 1856849535 FNJKSZDCYRUMQR-OAHLLOKOSA-N 426.445 0.106 30 10 ICEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CSC1=O 1869933985 UJIBWSXJGAIZKY-ABAIWWIYSA-N 438.531 0.951 30 10 ICEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227687 JKSJKPRNGIUMTB-UHFFFAOYSA-N 441.536 0.666 30 10 ICEE Cc1ccc(=O)n(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n1 1889382159 ISBQANQWDZNTGW-UHFFFAOYSA-N 429.565 0.589 30 10 ICEE C#CCCN1CCC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2286045935 VBPZYMZBANLPGA-QZTJIDSGSA-N 437.518 0.773 30 10 ICEE C=CC[C@@H]1COC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344312128 JDYXTERSBJQQFM-ZACQAIPSSA-N 426.491 0.965 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CC1 463914639 VHGQOMWPYLQTDK-UHFFFAOYSA-N 428.493 0.973 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 513785280 JLVDRUQZQGSFDQ-UHFFFAOYSA-N 434.543 0.802 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 515653702 JUQXXMSVOINLSW-HNNXBMFYSA-N 441.509 0.847 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@H](C)c1cccs1 730144869 SVSJGANDTWBOLF-HXDQEIOOSA-N 425.580 0.923 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743726924 YGLXPMMUDINDGK-UHFFFAOYSA-N 430.530 0.661 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 786909476 PQQFEGPUFLWWAE-UHFFFAOYSA-N 427.552 0.077 30 10 ICEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 789324872 WAINEAZPEZNUOM-SFHVURJKSA-N 427.505 0.931 30 10 ICEE COc1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c(OC)cc1Br 798856957 YVRBHEBNPLNVID-MRVPVSSYSA-N 444.267 0.996 30 10 ICEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)CC1 1083996615 VBEVJYIVDBXQCE-UHFFFAOYSA-N 445.553 0.407 30 10 ICEE C#CC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C(=O)OC 1141995468 QPADVTCEWTVRSY-LSDHHAIUSA-N 428.894 0.554 30 10 ICEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1157305266 BDXLEMSDCTYFKU-OAHLLOKOSA-N 427.461 0.920 30 10 ICEE Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179650312 DVSQSWYQLHCGGK-MGPUTAFESA-N 427.486 0.882 30 10 ICEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1230666405 QKFPCYHZXPBHRZ-HDMKZQKVSA-N 425.532 0.819 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1233928326 OWDKWXCRZSZBJP-MRXNPFEDSA-N 437.518 0.902 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1286287330 AXMFDXHJVJKKDW-HNNXBMFYSA-N 449.515 0.932 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286389882 SCWRLKMJECCUPV-BQFCYCMXSA-N 446.533 0.413 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCOC)CC1 1286479499 MFQGKXRDAIAGIU-GOSISDBHSA-N 439.520 0.453 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNS(=O)(=O)CC)CC1 1286484615 SYTMLXLWAOAWPZ-UHFFFAOYSA-N 446.577 0.860 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1286492973 LENULTBNCKTYBJ-PKOBYXMFSA-N 430.553 0.469 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1286581995 PPCJITWAKSLUJI-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286820260 IJUDSJZRPAMYCN-LSDHHAIUSA-N 432.568 0.744 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300988730 IFNWEDLZIPIJIF-MRXNPFEDSA-N 432.525 0.302 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1301497668 ZWWQPHUAQUNZOI-UHFFFAOYSA-N 431.497 0.659 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1301497774 DBQAOYIWCCWFNY-QGZVFWFLSA-N 435.492 0.749 30 10 ICEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302457846 DPMAFWDQYBCIBE-ZDUSSCGKSA-N 432.506 0.752 30 10 ICEE CCO[C@]1(c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1314097735 ZFWTVEYJHYOIMY-GOSISDBHSA-N 438.510 0.429 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358963753 NPZFNSIFOYQHMQ-QGZVFWFLSA-N 442.607 0.928 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359302708 QXTRKVDKISDNQE-OAHLLOKOSA-N 444.565 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1359334618 LROJSPOCHBVMQA-UHFFFAOYSA-N 446.524 0.388 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1469977795 PRMNMMNXTZFSRN-HUUCEWRRSA-N 443.547 0.214 30 10 ICEE CCN(C(=O)Cn1cnc(C#N)n1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1470168796 KNILAGRMYKOGKX-OAHLLOKOSA-N 433.513 0.856 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)c1 1507550687 PHRFTPDCUHWGJT-SFHVURJKSA-N 449.515 0.812 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1507653676 QAQWPZFLCSKZQH-INIZCTEOSA-N 440.508 0.836 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507665188 LDLKYDOSNSWUQH-UHFFFAOYSA-N 429.484 1.000 30 10 ICEE O=C1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1521472546 USJBEOAIBIZESH-ZZEZOPTASA-N 439.451 0.937 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1540869781 WNUKKDAACHCITI-UHFFFAOYSA-N 436.476 0.565 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1541946518 WZFXEKVBBPKSDS-KBXCAEBGSA-N 446.533 0.738 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1546579228 HUBARWQIEZZHLZ-WATITHJCSA-N 436.476 0.581 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)ccc1F 1556960373 ONKZZXWXUAYDEE-GOEBONIOSA-N 432.495 0.318 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1587638659 GNFPLHOMWAPFPM-ZWKOTPCHSA-N 438.598 0.801 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C(CC)(CC)CNC(=O)OC(C)(C)C)CC1 1588199172 IHKWETSVFOLDKH-UHFFFAOYSA-N 430.571 0.929 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595562056 MKYUFWAXXFYSQK-SFHVURJKSA-N 439.520 0.394 30 10 ICEE C=CCNC(=O)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1595595028 QGUKTPUFFUKAQR-DNVCBOLYSA-N 441.554 0.246 30 10 ICEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632478667 PSZVZILLZFEDNZ-ABAIWWIYSA-N 426.422 0.690 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1638239186 JODSNSLUKOCPDK-UHFFFAOYSA-N 438.506 0.213 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC(c2ncc(Br)cn2)C1)c1cc[nH]n1 1644119661 LZZGKHYWSTWBSS-UHFFFAOYSA-N 437.254 0.872 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 1646096149 RKMNZKAONHGBKI-CVEARBPZSA-N 444.517 0.522 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C(=O)NC)C3)nnc12 1648851680 AZHOBILSIHBODY-CYBMUJFWSA-N 426.502 0.917 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1Br 1661136618 APKLHJORSFVLLW-ZDUSSCGKSA-N 448.364 0.814 30 10 ICEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1684811608 NSRZZCLUGQVKBV-SFHVURJKSA-N 426.477 0.329 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1692559035 KEXAOBPYYNDHTH-QFPXGYFVSA-N 431.497 0.617 30 10 ICEE CCOCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696253286 VQKPSRPFDHPFEX-QBNCKDSPSA-N 445.524 0.646 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCS(=O)CC1 1698520381 JHFBHKYVNUXTKT-VLGSPTGOSA-N 427.490 0.435 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCCO1 1705552242 WOZXRGSYXFDYEO-IAGOWNOFSA-N 441.554 0.266 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705906204 WWIQPEBJVBGQIX-UHFFFAOYSA-N 440.533 0.592 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1740692209 GGRBSVIJHOBXFG-JOCHJYFZSA-N 430.553 0.731 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](F)COC)CC1 1740705759 LZLLBBUJRHQCRL-JKSUJKDBSA-N 441.529 0.131 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740751114 XZBIAMAYTSBUFT-MJGOQNOKSA-N 447.584 0.608 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748667154 OCNMKGCGHNSRHY-HUUCEWRRSA-N 427.509 0.942 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1748717587 DASLZLIZGOHBFA-MRXNPFEDSA-N 434.566 0.978 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749832959 XZPPDOWCTLWDHH-HZPDHXFCSA-N 426.543 0.778 30 10 ICEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1762348160 LMVGWNMDHANMFJ-HOCLYGCPSA-N 436.542 0.602 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2=O)CC1=O 1856405108 OWHMSBZVRWIFIH-OAHLLOKOSA-N 439.921 0.875 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)[C@H](C)C2=O)CC1=O 1857487578 APFUAWUFASVIJY-HUUCEWRRSA-N 437.493 0.917 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Br)cc1 1865722789 ZTLZTCFYJOPVCB-LBPRGKRZSA-N 447.289 0.843 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870547698 KRMWBAPQGXAKQY-FQEVSTJZSA-N 446.548 0.715 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2255880136 AAKLISPKOALDDT-BETUJISGSA-N 433.318 0.948 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 11399917 YVHQZAPICPXLCP-FQEVSTJZSA-N 435.502 0.981 30 10 ICEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482583789 YEAJNUCYQRQPOD-INIZCTEOSA-N 430.534 0.761 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 508938387 JIGGRWYQUYIXMC-KRWDZBQOSA-N 435.554 0.910 30 10 ICEE COc1ccnc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 513412215 WPHRVAAUQPKOSC-UHFFFAOYSA-N 426.481 0.124 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 549246176 FACPCFLWQXFZRM-DNVCBOLYSA-N 438.554 0.294 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)cc1 751730942 HYFBCKFMJNJPNN-UHFFFAOYSA-N 446.485 0.595 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 774254647 WAPPLSJRKGETAR-AWEZNQCLSA-N 433.577 0.475 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)c(C)cc2F)CC1 795774745 QZWQGJFUUWCAAR-UHFFFAOYSA-N 427.498 0.919 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809895395 UJWIUMYPLZEYAY-AEFFLSMTSA-N 434.566 0.930 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856604660 AJBLCRKRSKPISB-ZWKOTPCHSA-N 426.498 0.589 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)s1 1136592913 LSUHPRRPUCIESB-INIZCTEOSA-N 441.575 0.995 30 10 ICEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1235729682 YNYZHWHGSRCAHT-RZQQEMMASA-N 432.502 0.246 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCOC2)c1 1286312663 ZLLXMZNTDDKEOK-HTAPYJJXSA-N 425.489 0.990 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](COC)OC)CC1 1286645466 CWGJLTGFTXNIGV-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1300492302 MRWBNMUKBCJHLZ-HNAYVOBHSA-N 434.522 0.149 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300494948 ACGOMSOZXXKADJ-NVXWUHKLSA-N 431.518 0.861 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301585263 JSWJAEITRYDHTJ-HZPDHXFCSA-N 433.538 0.007 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301588861 KVRCYVFFTXKAOC-NVXWUHKLSA-N 436.538 0.694 30 10 ICEE C[C@@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)n1cnc(C#N)n1 1302137663 PPOMLWLPZGCEAK-JTQLQIEISA-N 438.233 0.454 30 10 ICEE CN(C)S(=O)(=O)NCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1449122939 SINSDKSAAQENFT-FVRSWCFKSA-N 429.543 0.285 30 10 ICEE CNC(=O)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cc1ccc(C(F)(F)F)cc1 1469770576 NVVVNQQRXQGICU-GFCCVEGCSA-N 437.378 0.560 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1498516762 BCGYCSWGQVELJB-CQSZACIVSA-N 428.497 0.596 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1503103170 GRVBGGLQDXRPQD-KKSFZXQISA-N 427.509 0.948 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1507615825 BQLAXUYFAYOMNG-QWHCGFSZSA-N 439.460 0.648 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1)C1CC1 1507992968 LXPQTHBNVLPUKP-KRWDZBQOSA-N 435.554 0.742 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCS(C)(=O)=O 1508079377 SQOBKRBZWZZQLX-UHFFFAOYSA-N 435.506 0.847 30 10 ICEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1512579868 GCFWGPYIBWDMHW-YWZLYKJASA-N 446.533 0.750 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539216214 PGJXWASJECFYHL-INIZCTEOSA-N 447.565 0.468 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1540874492 IHLMKMHTQHLDBP-SFHVURJKSA-N 430.557 0.599 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540901382 BLQKWCZZUOXUCT-KRWDZBQOSA-N 447.565 0.494 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2C[C@H]1CO2 1540907856 KXHLZPAUXUCUHW-QAETUUGQSA-N 426.539 0.971 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1587909220 HAEVBJWPULAKJG-NSHDSACASA-N 446.459 0.879 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)COC2)CC1 1588884957 PNNBBIGYVBHAOW-UHFFFAOYSA-N 437.504 0.928 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1595796974 CLBYEFBPSYWKND-HOTGVXAUSA-N 446.595 0.644 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1689989525 GNBDRZJFBUKHPK-BYNSBNAKSA-N 430.527 0.337 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705566759 QYNMKTAOIIHZFE-SOLBZPMBSA-N 432.550 0.978 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1705621628 JHQAHDHBBFOOJM-CYBMUJFWSA-N 437.551 0.732 30 10 ICEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710892341 WYABANKOPXNBIV-CQSZACIVSA-N 433.542 0.293 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1712318335 HFPHGQGCGWDQGW-LAUBAEHRSA-N 425.493 0.818 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(CN2CCCC2=O)nnc1N1CCSCC1 1712912590 ANPDVZUUEFLPRI-ISLYRVAYSA-N 431.522 0.480 30 10 ICEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N1CCOCC1 1722679473 CJVUDUTVKYKKKW-UHFFFAOYSA-N 432.481 0.503 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cncn2)C1 1722703230 XLVBWVSKPXKZEL-BQFCYCMXSA-N 430.513 0.737 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722726466 AJISYQUBCVNTPU-INIZCTEOSA-N 445.549 0.805 30 10 ICEE C[C@@H]1COCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726743568 MRJUXEUDWVYMIS-OHTQGHCMSA-N 429.481 0.266 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1748960279 GJCVNCCJMLAKNO-UHFFFAOYSA-N 437.504 0.897 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1748965057 PDIXTBRKZOXTEB-QGZVFWFLSA-N 439.582 0.377 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOCc2ccccc2)CC1 1748978037 MIWQYNLIVJIMNB-GOSISDBHSA-N 446.577 0.860 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749665706 AGDYJJWPNWWJNU-UHFFFAOYSA-N 447.565 0.811 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760181813 BUEBLHXVHWRTGF-GOEBONIOSA-N 425.555 0.858 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCCC2)CC1 1760253904 KPGQVJQVLMCAFY-QZTJIDSGSA-N 437.614 0.518 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCc2ccco2)CC1 1760269193 BEHZJAQYBGJKET-QGZVFWFLSA-N 440.504 0.657 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1760351867 LRUULSKZZWSJIH-CQSZACIVSA-N 426.543 0.292 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1764675687 FBYFCLIQPLIFGE-STQMWFEESA-N 438.558 0.837 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1767428032 ZHBJITGDYXVWCL-OAHLLOKOSA-N 432.506 0.488 30 10 ICEE COC1CCN(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)CC1 1857035272 ZWJXXSWRNBJRKZ-MRXNPFEDSA-N 426.539 0.038 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)[C@H](C)C2=O)CC1=O 1857095535 PNYQMVPQXPZNNG-GDBMZVCRSA-N 437.493 0.749 30 10 ICEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCO 1870648390 VRIAXULMSHHSGM-UHFFFAOYSA-N 445.516 0.525 30 10 ICEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247875844 DDOGNZAWKFCARG-NSHDSACASA-N 445.351 0.306 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2258959469 RPDZUAMBXJWZCZ-VFNWGFHPSA-N 438.330 0.860 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 505701495 XORNJFCEMAXMAJ-OAHLLOKOSA-N 427.530 0.256 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 515652425 LNUOYIDVZOBGEW-ZDUSSCGKSA-N 446.510 0.864 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 680761860 XWEYAEVHXZQKKL-UHFFFAOYSA-N 444.557 0.955 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729668839 FNLYCXGBHVUUOP-UHFFFAOYSA-N 437.525 0.764 30 10 ICEE C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 756415269 PJHLVWTYNMRWOP-MRXNPFEDSA-N 449.529 0.997 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(C)(=O)=O)cs3)CC2)o1 767847339 HYWLXBOJCYOBRK-UHFFFAOYSA-N 438.487 0.825 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856611761 OHQBESDIGBHNCZ-JCGIZDLHSA-N 441.513 0.602 30 10 ICEE COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 914684658 NFWIZXLQNHERDM-UHFFFAOYSA-N 441.444 0.485 30 10 ICEE CN(C)S(=O)(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1130636399 JPUGQBQEDCJMAW-HNNXBMFYSA-N 431.559 0.914 30 10 ICEE COCCN1C(=O)c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2S1(=O)=O 1134525558 GRSUQHQDCJYZOD-UHFFFAOYSA-N 434.470 0.955 30 10 ICEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336311 HGEKUBPJTIJOBK-PIPMEXSNSA-N 446.573 0.394 30 10 ICEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1286397726 UJAMRBFNCMGKPF-INIZCTEOSA-N 449.508 0.759 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286496552 UFNOFYAEVGFLNW-MCIONIFRSA-N 442.567 0.189 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1286787601 HGQDJEFUKONNNX-HNAYVOBHSA-N 440.570 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286825523 RUKLDAXJWILSCN-UHFFFAOYSA-N 438.598 0.577 30 10 ICEE CCOCc1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1297298489 AFRUOBTXQSWULK-VXPUYCOJSA-N 429.525 0.873 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 1298372165 MINXHQRTQTVGGF-KDOFPFPSSA-N 431.518 0.979 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)NC(C)C)CC1 1300703403 IQBZGNRVPXGEID-UHFFFAOYSA-N 431.566 0.347 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CC1 1308057504 QCZQOHGBFWRPMW-QWFCFKBJSA-N 434.537 0.901 30 10 ICEE C#CCn1ccc(CN(CCOC)Cn2nc([C@H]3CCS(=O)(=O)C3)n(C)c2=S)n1 1339455964 XWQDXJJPUCASQH-HNNXBMFYSA-N 438.579 0.789 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358955704 RIWNDYRPFHNQDF-CVEARBPZSA-N 446.533 0.977 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358956837 LIPKSAWHXCNFPW-QKLQHJQFSA-N 440.566 0.839 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1359021552 SXNWBOAEUDNOJN-UHFFFAOYSA-N 441.488 0.661 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1359298083 MCSCTZILBHDQIL-UHFFFAOYSA-N 426.525 0.962 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1359335127 BPOISNJYBASUBF-KRWDZBQOSA-N 432.568 0.100 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C[C@H]1CS(=O)(=O)C2 1456612972 LEZDEJOPKTYNGM-YVEFUNNKSA-N 427.479 0.277 30 10 ICEE CO[C@@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504014326 QGPMATDLPQOBIW-LAYTVVDLSA-N 445.524 0.948 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1507669734 QOEZXRRIMVRVEN-RBUKOAKNSA-N 431.562 0.902 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539045181 QTGWXXVYRQNMEF-UHFFFAOYSA-N 427.553 0.718 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1539265510 HCNOANOJRHYKTO-MRXNPFEDSA-N 425.580 0.827 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 1539803694 LPSZJIQTFZNQTC-AWEZNQCLSA-N 444.945 0.175 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540862206 VDHIRYLOLSTLFY-CQSZACIVSA-N 443.474 0.889 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1587638038 AVXDKOKTPDOTKK-IAOFPLEJSA-N 432.506 0.165 30 10 ICEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1587926996 OWFNKAATDOXQJH-OAHLLOKOSA-N 428.312 0.655 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1593636193 IQCQQYRDIQKHOP-INIZCTEOSA-N 441.554 0.573 30 10 ICEE N#CCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1629083112 WQBDLXUGYJDLKT-UHFFFAOYSA-N 436.534 0.868 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1629838962 FVIIQNHIPLYUNZ-AWEZNQCLSA-N 440.547 0.252 30 10 ICEE N#Cc1cn(CCNC(=O)c2cccc(I)c2O)c(=O)nc1O 1633550346 NNQAYJCVKUVRHR-UHFFFAOYSA-N 426.170 0.561 30 10 ICEE N#C[C@@]12CN(CC(=O)NCc3ccccc3CN3CCCC3=O)C[C@H]1CS(=O)(=O)C2 1648415603 LWWJPTJKQARQNR-RXVVDRJESA-N 430.530 0.295 30 10 ICEE C#CC[C@@]1(C(=O)NCCc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1651256415 HUYWVKGYIYVEEW-NRFANRHFSA-N 430.509 0.815 30 10 ICEE C#C[C@@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683683828 CBPBBOVWLZFHSH-QGZVFWFLSA-N 436.534 0.191 30 10 ICEE C#CCN(C(=O)NCCNC(=O)c1ccc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1687029522 QHYFPSVEDYFJKD-ZDUSSCGKSA-N 443.323 0.406 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705509313 DTBGXUGNBAPCCQ-LSDHHAIUSA-N 431.584 0.705 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705564300 APNQANIHAHAUDQ-QGZVFWFLSA-N 432.550 0.622 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1705612590 KDTIKRKKSLILEA-MRXNPFEDSA-N 425.555 0.887 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1705661596 GCBOEDFVUJWXHY-AWEZNQCLSA-N 446.620 0.560 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705893574 AOCZNFQNXNAIBU-QZTJIDSGSA-N 445.568 0.363 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884791 SEFGQGQTKPLNPY-ARFHVFGLSA-N 426.468 0.867 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722566023 HXACERCYIMIPIJ-JTDSTZFVSA-N 441.554 0.307 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740625906 UAJBLZMTGHIPPV-DLBZAZTESA-N 433.534 0.372 30 10 ICEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740807037 MVKJVHJWELTLPG-CQSZACIVSA-N 446.895 0.862 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCN(C)C2)C1 1740971341 WGPBIWZVVMBALH-HRAATJIYSA-N 427.509 0.773 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1748842144 DPWWCXACAVBATH-WAIKUNEKSA-N 432.484 0.805 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749671075 YPKPRAHQVLJJQI-OLZOCXBDSA-N 429.447 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749721759 SSVXWMXZQRAQCX-UONOGXRCSA-N 439.494 0.229 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1772566650 QIDYECOKBFCAPG-ZWKOTPCHSA-N 444.584 0.136 30 10 ICEE N#C[C@@H]1CC12CCN([C@H]1CCCCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1=O)CC2 1855394723 YSYKODXSHGYRQI-WMZOPIPTSA-N 434.562 0.944 30 10 ICEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124524807 WPGIUMCOUYVDML-ZDUSSCGKSA-N 447.301 0.450 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255815147 JIQDKUMBJFNBCZ-ZIAGYGMSSA-N 436.318 0.429 30 10 ICEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112441 GTNFLRUJXCHOQQ-MNOVXSKESA-N 445.251 0.786 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 110365420 FNRZAMFCMYEQEK-LJQANCHMSA-N 443.504 0.954 30 10 ICEE Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 543146831 DGOPSOQRJVTXME-UHFFFAOYSA-N 427.511 0.056 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C[C@H]1CCCO1 544724922 FJXQEYYHRKXSIR-CYBMUJFWSA-N 443.481 0.075 30 10 ICEE N#CC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCC1 578470408 DFXIVNCCFYSAQD-UHFFFAOYSA-N 427.548 0.962 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CN4CCCN3CC4)CC2)cc1 590354955 FGIGIEMUIBGTEQ-IBGZPJMESA-N 431.562 0.465 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C[C@H]1CCCO1 611222406 HQHLPIWSKWERMV-LLVKDONJSA-N 438.431 0.752 30 10 ICEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 726178338 DOJPLIZLMVRYJE-UHFFFAOYSA-N 443.573 0.484 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C[C@@H]1CCCO1 758555355 CPWVCHJKEADYFV-INIZCTEOSA-N 439.541 0.333 30 10 ICEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 794581343 KPDFQYCDLWULEW-QGZVFWFLSA-N 443.525 0.334 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc(S(C)(=O)=O)n2)cc1 813398459 YKMHFQVUFKUJPE-RCCKNPSSSA-N 437.503 0.945 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 917925464 HAKIRNHBEWOJIE-AWEZNQCLSA-N 429.472 0.071 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1286296280 NXXPWIJYFYDPLD-BBRMVZONSA-N 436.538 0.976 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)CCOC1 1288305336 NVWOOMCZDZGEFK-ZWKOTPCHSA-N 444.533 0.700 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1301501576 ZEUAKVFVTMQZOP-MRXNPFEDSA-N 437.566 0.878 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cs1 1304676126 SVGFPHONYRROPC-HNNXBMFYSA-N 437.551 0.398 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358965724 AAQZOSFJGBXEFP-CABCVRRESA-N 427.502 0.012 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3c(C#N)nc(C)c3C)CC2)c1 1459196103 MLTUKZMABTXVMX-UHFFFAOYSA-N 447.517 0.922 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Br)cc2F)CC1 1468716843 OCKZLFPLPCQCNY-UHFFFAOYSA-N 447.330 0.926 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 1468917866 TWYFJJRVIJOQNC-UHFFFAOYSA-N 440.566 0.131 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nccn2CCCc2ccccc2)CC1 1469251840 OTPXRARCXBJDGB-UHFFFAOYSA-N 444.561 0.811 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CC[C@@H](O)C4)CC3)C2=O)cc1 1470284890 FLMFFVZXMGPKBA-MOPGFXCFSA-N 425.489 0.821 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1505086979 XFSFDFQDQHPYOR-SNRMKQJTSA-N 444.492 0.856 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507596119 CQOMQSPORKDXFE-OALUTQOASA-N 446.552 0.990 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1507671878 RDXIFRVAHXQKPD-IBGZPJMESA-N 446.621 0.669 30 10 ICEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)CCO2 1512579863 GCFWGPYIBWDMHW-FOIQADDNSA-N 446.533 0.750 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1539012007 DLCSXIAOWJRYKG-DRMAHVMPSA-N 425.555 0.620 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539216361 QVBMEPFGMSDVQP-POXGOYDTSA-N 434.547 0.273 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1540862353 ZVKMGOALUSQIGC-UHFFFAOYSA-N 439.520 0.812 30 10 ICEE C=CCNC(=O)Cn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876321 NUYLVJCFWXOELG-OKILXGFUSA-N 433.513 0.287 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCS(C)(=O)=O 1540901894 SVQUFPZUXOFWBM-UHFFFAOYSA-N 427.552 0.730 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1541697074 UVYVYDINJMRJPT-MRXNPFEDSA-N 425.493 0.968 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588024390 AWWNEJAATMGLPS-OXQOHEQNSA-N 435.550 0.302 30 10 ICEE CCOC1CC(O)(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1616581076 KIIAVHRYFHJXDS-BLVDZXQRSA-N 435.525 0.977 30 10 ICEE COCCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1619812995 JYWMAJRRWVMBQI-MAUKXSAKSA-N 444.533 0.870 30 10 ICEE C#CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1645781193 FVUDRVBRPOJEFB-NJAFHUGGSA-N 439.578 0.870 30 10 ICEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1682496847 ICNJHHIMBCTWSC-KHYOSLBOSA-N 442.538 0.592 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689913544 PZKOPCJUKZLSNE-ZWKOTPCHSA-N 438.598 0.850 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690674053 NGKWQURPSVDHDJ-IBGZPJMESA-N 425.537 0.867 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)C1 1695953204 AKYCRWMWEQTPFU-MSOLQXFVSA-N 448.549 0.996 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2=CCCOC2)C1 1712706267 JDPHCVZUPQZOGK-QAPCUYQASA-N 440.501 0.400 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)CC1 1722440417 IOIYXLMWVATMJP-FQEVSTJZSA-N 446.602 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722728348 QIUGMCXLTKWDSA-CABCVRRESA-N 432.568 0.396 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1723694773 WMPOBXXRQQPJCI-UWJYYQICSA-N 444.492 0.957 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740600301 KOMXPGXSQBKUQD-HIFRSBDPSA-N 436.513 0.441 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628795 UOGXNNFQEJYJQV-HZPDHXFCSA-N 435.550 0.802 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740751109 XZBIAMAYTSBUFT-HKUYNNGSSA-N 447.584 0.608 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1740960454 RZCTYCNRZBINDO-GOEBONIOSA-N 435.506 0.653 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748817702 OQZZTJASZWBSLG-HOCLYGCPSA-N 438.941 0.959 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1748859305 RYIFGTNTKJZMPB-IRXDYDNUSA-N 437.591 0.970 30 10 ICEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1748902960 NRWQDVYNRHWCBF-UHFFFAOYSA-N 426.502 0.741 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)N(C)C 1749079566 BMBUYPRKWZLHKD-TXPKVOOTSA-N 425.555 0.886 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760144819 BOHPUXJHWWQXDE-IAGOWNOFSA-N 435.554 0.712 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cn(C3COC3)nn2)CC1 1760264719 CSRQDJKFUVOTFX-UHFFFAOYSA-N 426.525 0.753 30 10 ICEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1760381527 POFLCGRVCJJOKF-UHFFFAOYSA-N 439.520 0.836 30 10 ICEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760438928 RHIMJAJSEZBQEW-INIZCTEOSA-N 444.540 0.953 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1760464887 RDURKBNKFNELEU-INIZCTEOSA-N 440.570 0.636 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1765634318 XPYXOKHCFYDCBF-UHFFFAOYSA-N 438.536 0.601 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2=O)CC1=O 1854019500 YNGIJMDYJDSXLX-GFCCVEGCSA-N 427.429 0.359 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255877483 YVMSLNHVUCKRHU-ZIAGYGMSSA-N 434.302 0.486 30 10 ICEE CC(C)CN(C(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 23617428 UUSMZPGFAJWSPA-QGZVFWFLSA-N 427.548 0.996 30 10 ICEE CCOC(=O)c1c(NC(=O)N2CCCN(CCOC)C(=O)C2)c(C#N)cn1CCOC 470502723 AXACSLRELAIJHN-UHFFFAOYSA-N 435.481 0.895 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 494934173 WIJGNZHIVHYHJU-UHFFFAOYSA-N 428.470 0.527 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H](COC)C(N)=O)nnc12 500198223 CYPLBWOWQJZNPH-AWEZNQCLSA-N 430.490 0.281 30 10 ICEE COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)ccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 504699874 JSHCIPDYXUVMEC-AZJWOEBKSA-N 446.408 0.196 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 522109296 FFKIBXMPPVQEIM-UHFFFAOYSA-N 430.555 0.571 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(C)C 537395047 UCZVPLKZFDPMJB-OAHLLOKOSA-N 444.557 0.932 30 10 ICEE CC(C)CN(C(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 726788417 MDBDFTHVLPULSU-HNNXBMFYSA-N 445.563 0.399 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cnn(CC)c1 727417270 AVXHOFBNCVJAJV-UHFFFAOYSA-N 441.513 0.754 30 10 ICEE C#CCN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 729332637 SJSGZFNSDAIVFK-GFCCVEGCSA-N 439.287 0.694 30 10 ICEE C#CCN(C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 774247973 NZFHWBAFAOMFPI-KRWDZBQOSA-N 426.583 0.445 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2nnnn2C)C1=O 790750753 RPKDQNHEEFYPPX-CYBMUJFWSA-N 436.567 0.514 30 10 ICEE C#CCN(C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 802529135 RFUOIBBJKVUIGA-CVEARBPZSA-N 427.548 0.575 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1288524305 BRPOQYJIRWPHOJ-LSDHHAIUSA-N 441.558 0.218 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1288524480 CZRXUAJOUFZWKN-RDJZCZTQSA-N 433.538 0.987 30 10 ICEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298095459 GUCRKECGTVWWJF-LJQANCHMSA-N 440.552 0.953 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1298743762 QGVIFYJDEDOCFC-LJQANCHMSA-N 434.522 0.608 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCCC 1300511067 DXCJZVXKXKMUKT-UHFFFAOYSA-N 442.545 0.794 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1300718321 JYWSIKJYVMLRST-UHFFFAOYSA-N 440.529 0.827 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 1309311852 DLTACGURLVJHNO-CQSZACIVSA-N 435.531 0.792 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2F)CC1 1359038311 RBIVFLYUFAVDKH-UHFFFAOYSA-N 427.484 0.769 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359040049 GHKXONSCSHOZMO-AEFFLSMTSA-N 430.553 0.933 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2ccnn2)CC1 1359044980 TUBKNLWMVAXKQO-SFHVURJKSA-N 426.525 0.820 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1359296612 OYFKCJLFXLOXDP-OAHLLOKOSA-N 428.493 0.979 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1441314481 RKCZUBOLGICVPJ-RDJZCZTQSA-N 447.517 0.551 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1508097206 OOKJPNCEEIUIPI-RDJZCZTQSA-N 436.513 0.583 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)C1 1508108389 GOZSYCPAPBCSCN-RHSMWYFYSA-N 448.549 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1508141376 VLKQVRBDQISJDQ-CALCHBBNSA-N 449.581 0.881 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1538965096 MOVGPJZICNCDJM-CYBMUJFWSA-N 438.941 0.869 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1539167680 IDYRKZXZEFZILI-UHFFFAOYSA-N 425.465 0.689 30 10 ICEE CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1541115701 DBYOMTGQVKYFTG-GJZGRUSLSA-N 441.558 0.122 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1570741079 BOKRCFDOQUMDET-YJYMSZOUSA-N 439.501 0.856 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1586620755 BIUNIQJIAGFLMC-CHWSQXEVSA-N 425.935 0.799 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1587989411 JCIMQORWXUPWHU-AWEZNQCLSA-N 442.542 0.205 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588025362 XSERDKTVZBLYEU-MRXNPFEDSA-N 433.538 0.133 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1589070928 ZETIPMYVBUBXMA-HOTGVXAUSA-N 428.580 0.788 30 10 ICEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593908952 TZEAJELXQFDMIU-IBGZPJMESA-N 435.916 0.968 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1595562126 NYABEKFSJUPXDI-UHFFFAOYSA-N 436.520 0.781 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1595796767 BYSFHBFQBGCQGF-MRXNPFEDSA-N 441.554 0.416 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619620833 YNQHVCLAEWGPQZ-HOTGVXAUSA-N 428.472 0.807 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@H]43)ccc2c1=O 1629568053 QFZKYVBPXKVOOX-CVEARBPZSA-N 435.527 0.899 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 1636304206 JFNLJANLFAXYBO-RYQLBKOJSA-N 438.546 0.960 30 10 ICEE COC(=O)[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 1644661554 JQLBPBJCYFQWPU-MRXNPFEDSA-N 433.509 0.984 30 10 ICEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCC1 1648155210 ALRBHYKISVOSSD-HNAYVOBHSA-N 433.534 0.476 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1663613618 HQNGWMJSLOJDAF-UHFFFAOYSA-N 436.538 0.873 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690170055 XRHQCGHVYBKWPR-UHFFFAOYSA-N 444.565 0.619 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690288243 ODWXGECVVYXJPH-HNNXBMFYSA-N 431.584 0.522 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705899669 BYIZAUQFASDCII-UHFFFAOYSA-N 447.503 0.463 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705903569 YFRFSHYAPKJWJF-RDJZCZTQSA-N 445.524 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705937849 GSCARKFZMYFHKI-DLBZAZTESA-N 447.565 0.455 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1710898556 GDMXOKDABLFASV-INIZCTEOSA-N 445.505 0.397 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1723620108 GLHCHUKUBQWMEG-DOTOQJQBSA-N 428.497 0.546 30 10 ICEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729824715 BFRIAZHFCHJQIC-CVEARBPZSA-N 439.524 0.926 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740580585 CEXQVFCYQNRVHL-HNNXBMFYSA-N 436.476 0.812 30 10 ICEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1745679039 NTUKRZDZNAFRPH-RDJZCZTQSA-N 439.586 0.739 30 10 ICEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1748075988 FZJGQKPXWHZGJW-UHFFFAOYSA-N 445.549 0.671 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1749229303 IZSCTRUCKNBKNL-QGZVFWFLSA-N 449.581 0.833 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1749678084 VQDMRVQWMRHRQE-UHFFFAOYSA-N 428.541 0.794 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1760235210 FRDRLRBXEHVRAC-OAHLLOKOSA-N 437.526 0.395 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1760243146 VVXOQNBOMIKIGM-CQSZACIVSA-N 438.558 0.369 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760552501 QBNAXDKUTZQBMY-QGZVFWFLSA-N 448.549 0.702 30 10 ICEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1762348159 LMVGWNMDHANMFJ-GOEBONIOSA-N 436.542 0.602 30 10 ICEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1764213508 QCRZMWRPNQXHIR-GOSISDBHSA-N 437.504 0.780 30 10 ICEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1769323244 CQXGUFANUSBHGY-LSDHHAIUSA-N 428.559 0.927 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C[C@H]2C(=O)NCc2ccncc2)CC1 1852190028 GUHALVWJAQCIBE-WOJBJXKFSA-N 434.500 0.966 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)C(=O)C2)C1 1854354828 RRULFVITADEEBH-DLBZAZTESA-N 432.502 0.029 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCc4ccccc43)C(=O)C2)C1 1856830715 SGXIWSNCENAMOD-ZWKOTPCHSA-N 430.530 0.705 30 10 ICEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870581837 DYDZESBEFRSDRI-UHFFFAOYSA-N 448.520 0.546 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCNC(C)=O 1870584686 ZLQSWIMDFGHINI-UHFFFAOYSA-N 432.521 0.396 30 10 ICEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)[nH]n2)OC1(C)C 2255632198 JYTDOQVRTMECSN-KRWDZBQOSA-N 425.342 0.913 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)(C(N)=O)C1 2255707933 CRIZQYXGHSMYMD-UHFFFAOYSA-N 435.286 0.783 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267572796 ACVJCIATZJMASN-UHFFFAOYSA-N 448.329 0.924 30 10 ICEE C#CCN(C1CCOCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286055768 LCIYKIWBDOKRJJ-GOSISDBHSA-N 438.502 0.898 30 10 ICEE Cn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 20837580 IRCKNHXNBXSJJI-QGMBQPNBSA-N 449.522 0.753 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 23265667 XTMUDDQCGIYIQV-UHFFFAOYSA-N 433.984 0.904 30 10 ICEE CN(C)C(=O)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537247605 FXOBABKDZJTMRN-SFHVURJKSA-N 432.594 0.553 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 581051513 MNYULASSQWYZFD-AWEZNQCLSA-N 435.509 0.699 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C1CCN(C)CC1 727417975 MKFMBMYYUHNSQJ-UHFFFAOYSA-N 444.557 0.815 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802602388 RZAZEKDSXNKDST-SJORKVTESA-N 435.554 0.364 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=Nn1cnc2ccc(Br)cc2c1=O 814787205 IYNOKJHXJCGXFE-UHFFFAOYSA-N 425.268 0.892 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1152972278 CHEYOIOYWHRHDH-GJZGRUSLSA-N 428.555 0.538 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1OC 1175230550 XFNPTHAZIPDKGC-HZPDHXFCSA-N 437.518 0.992 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1286420124 LYBPCWHPZYHDSR-KRWDZBQOSA-N 436.582 0.462 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)CC1 1286472015 CNNAFTDBBVMLMK-HSZRJFAPSA-N 446.596 0.796 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286600934 RAKIGZMNOPWORL-KFWWJZLASA-N 442.542 0.416 30 10 ICEE CCOC(=O)[C@@](C)(O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1296093461 ZZDLJBPBXDNLOO-IBGZPJMESA-N 425.507 0.716 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300707671 HOHLKJCSPGTFRB-HRAATJIYSA-N 444.561 0.565 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300971807 GIQXHYZVZCNIPT-BXWFABGCSA-N 443.570 0.865 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1314558104 IXUUSEGCIPGLKU-IRXDYDNUSA-N 443.533 0.471 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1358890997 YEGLUFCUHNKNKP-IEBWSBKVSA-N 436.626 0.912 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1358948934 PBYWTGJIMUXNBZ-GFCCVEGCSA-N 427.328 0.909 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359229011 VXJNJYQGCOFCFP-GOSISDBHSA-N 446.552 0.821 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359302453 IBMAXDBGIDCCBZ-UHFFFAOYSA-N 433.538 0.084 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)CC1 1467466532 NCZQTLRJLNRDLG-UHFFFAOYSA-N 449.533 0.229 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1499300848 GOCAAHINVVWVGD-KRWDZBQOSA-N 446.533 0.593 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1504529959 DWKPBVKTSJEOMU-UHFFFAOYSA-N 449.519 0.873 30 10 ICEE COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1504831445 RLLLDTIMJLXBEI-CRAIPNDOSA-N 426.543 0.778 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507732866 YNKVAEGUTFKDOU-CABCVRRESA-N 429.493 0.360 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508142328 SNAHQEMYYHZKCP-UONOGXRCSA-N 440.526 0.107 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516831753 AXQFCIXGZLYTAM-QGZVFWFLSA-N 444.565 0.846 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)ccc1F 1529089705 FWECMMJGQYXYRJ-DZGCQCFKSA-N 442.465 0.857 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539223943 AFMVBMGCUMJZOF-KRWDZBQOSA-N 430.534 0.415 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540873306 UIAKYTUBPVBQHU-OAHLLOKOSA-N 438.579 0.949 30 10 ICEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1545120956 FOGXBAKRSTZKLK-OAHLLOKOSA-N 434.522 0.845 30 10 ICEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1554364254 IAHOPHVVYMJDEQ-KRWDZBQOSA-N 430.557 0.155 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 1587300015 GGZCVUCWFRCFNT-FQEVSTJZSA-N 428.445 0.768 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588054935 QFGILEFGJUDTFI-SJORKVTESA-N 444.561 0.918 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588848976 SXUDZCXTJTWMPO-LJQANCHMSA-N 428.562 0.844 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595602304 JDPIQJHSUNHCGF-JLTOFOAXSA-N 431.497 0.246 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595812370 QZKOHOPPUYKOED-IAGOWNOFSA-N 430.534 0.580 30 10 ICEE C#CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454476 IGEVXEIELLOSQO-HJWRWDBZSA-N 430.505 0.959 30 10 ICEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)ccc1Br 1663927848 BNVMNYWWNRXCNK-NSHDSACASA-N 437.341 0.657 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1682583198 XQDJXSXJQCQOCT-UHFFFAOYSA-N 434.518 0.910 30 10 ICEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1689965945 HKXVEAIBYLROBW-CQSZACIVSA-N 427.527 0.701 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(N)=O)CCOCC1 1690056425 RLVMUHVWZBNYKX-ROUUACIJSA-N 429.521 0.747 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)NC 1694125694 FINAXBZPNAMSDT-OAHLLOKOSA-N 432.554 0.934 30 10 ICEE Cn1cnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1696871413 FCZWBLMJWPODLB-HNNXBMFYSA-N 441.883 0.767 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1705599431 ZDFUGBZGKJOIKU-GOSISDBHSA-N 425.514 0.790 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@@H]2C)CC1 1705643672 OLCVPWTVDSMZPH-UFYCRDLUSA-N 432.569 0.478 30 10 ICEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710883734 HHWFUFJUYHWOSR-UHFFFAOYSA-N 449.585 0.498 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1OC 1722372645 BPNCOUTXLSDGAW-AWEZNQCLSA-N 432.506 0.422 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1722554331 DGOWAYCSWIILLP-KBPBESRZSA-N 447.945 0.753 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722699490 VIBDSOKOQMYOFN-QGZVFWFLSA-N 431.541 0.812 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1=O 1730788145 FPEXAHLBVDCTMT-UHFFFAOYSA-N 432.506 0.156 30 10 ICEE O=C1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1731226240 NXHGRHNRPNKPEK-QZQOTICOSA-N 435.488 0.526 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740567909 XMCMZVDDEJXIBU-YLJYHZDGSA-N 438.598 0.993 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)CC)CC1 1740702873 AQFFOXOKNJGWLU-JOCHJYFZSA-N 446.552 0.374 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 1747978429 XOFRLISFBBKHOI-MRXNPFEDSA-N 434.522 0.751 30 10 ICEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1748407292 CEUXVDQTCCIFQS-JHJVBQTASA-N 437.444 0.876 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1748804486 IJIKNEWBHHZSRE-VQIMIIECSA-N 426.539 0.593 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748808749 MRJJMYUAKCYIBE-IBGZPJMESA-N 440.529 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748817402 KHHUTTLFSFAHTC-DLBZAZTESA-N 437.566 0.571 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCOC[C@@H]2C)CC1 1749009515 SCNZWXVUSJLIEQ-KRWDZBQOSA-N 438.536 0.422 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749032946 VTFGRGYYWLGZFU-FQEVSTJZSA-N 440.533 0.916 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760191294 FBJYXPJCCFNTQC-KRWDZBQOSA-N 436.582 0.367 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1760219844 PTUMOIUJNXLYNF-ZWKOTPCHSA-N 435.550 0.501 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760259467 BZVSBDBMHJCBFC-RBUKOAKNSA-N 429.569 0.485 30 10 ICEE CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769374237 BZCQQWDGVJXYPT-UHFFFAOYSA-N 433.538 0.951 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 2247882470 PDIWXVGYZLHIGZ-UHFFFAOYSA-N 434.327 0.396 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831197 RLOWPIUGKKFHAQ-OLZOCXBDSA-N 436.318 0.809 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1 439936956 BEAWJMCYAIVVNZ-QAETUUGQSA-N 436.486 0.716 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@]3(CCOC3)C2)CC1 469524986 HJMBTSKOJZPQPX-NRFANRHFSA-N 427.461 0.946 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)o1 471185863 FBEUXUHWOSYGLQ-INIZCTEOSA-N 431.514 0.510 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 521602413 PMRWAKVDAMPXRV-UHFFFAOYSA-N 431.522 0.497 30 10 ICEE N#CC1(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CCCC1 545388178 DGQREHRMUGNJNW-UHFFFAOYSA-N 426.583 0.951 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 732663947 IFNJTEHKLJNOBA-OAHLLOKOSA-N 431.539 0.760 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795658 QXGOIZWMPOEONY-MRXNPFEDSA-N 427.530 0.671 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735497157 DWFYMDGKQFVTBF-INIZCTEOSA-N 426.516 0.460 30 10 ICEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cn1 749856915 PFADXHNJDQDSDW-OAHLLOKOSA-N 442.541 0.661 30 10 ICEE N#Cc1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 764750358 GGDFMULXSHEIEQ-UHFFFAOYSA-N 444.469 0.561 30 10 ICEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 779756780 VCUNGGXQVBFNNC-XAIYEJPOSA-N 440.547 0.473 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1 839203192 OZLPLVYBLACDPQ-UHFFFAOYSA-N 441.488 0.427 30 10 ICEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856607456 IKGHZPAYDXHZOT-RBUKOAKNSA-N 426.498 0.850 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 1152967929 VSGIEIBYLBMODD-UHFFFAOYSA-N 426.495 0.530 30 10 ICEE CONC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1177096940 FYLYBZPZNSPOAR-UHFFFAOYSA-N 434.518 0.875 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1286395714 UDPKKVPKHBHSQV-XLIONFOSSA-N 431.518 0.042 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1286509344 OZNZPTSBWOTTCU-IAGOWNOFSA-N 441.623 0.704 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1288524875 IWVYBISHGWFRBU-CHWSQXEVSA-N 436.485 0.979 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1300538454 QNPZPQLHTUVRNN-SFHVURJKSA-N 445.549 0.279 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1301258420 RXKAUTDLKUEUFO-INIZCTEOSA-N 440.570 0.624 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1301497045 MKGAMXLIEQFGBO-INIZCTEOSA-N 441.540 0.074 30 10 ICEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)C1 1313380511 ANKLABMQMCNFII-HOCLYGCPSA-N 432.525 0.588 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1316204359 IYHMPLYPRYMALK-INIZCTEOSA-N 442.524 0.684 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1359293868 CAMNMKCNESVMJT-UHFFFAOYSA-N 437.547 0.220 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359302591 MJCFXGKQCPNKTD-JOCHJYFZSA-N 436.520 0.781 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1360712472 AHHQNGZCTJSDNQ-DGCLKSJQSA-N 425.902 0.714 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCN(CCC#N)CC3)CS(=O)(=O)[C@@H]2C1 1471237065 DXXTUOBTPDPLDR-BRWVUGGUSA-N 440.566 0.714 30 10 ICEE Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1492521840 WRTZLTSNUQFWQS-ZPHPHTNESA-N 441.517 0.744 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1)C1CC1 1507993059 NPBUKCQOWONJDB-DLBZAZTESA-N 441.554 0.571 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1513984687 SALWIYKHMGFRCX-ZVRCSXDDSA-N 443.508 0.761 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)ccc1F 1527880397 LJONMGXSMVEVMO-UHFFFAOYSA-N 441.525 0.901 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539221847 RIOSNQBRDOLGPK-CVEARBPZSA-N 433.538 0.468 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539222599 WUTWROZCOQETDX-UWVAXJGDSA-N 438.550 0.604 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539370565 XJDICYWVCONKQJ-HUUCEWRRSA-N 449.499 0.903 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540903152 ZNAILARGEJJAIB-UHFFFAOYSA-N 445.611 0.912 30 10 ICEE N#C[C@]12CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)C[C@H]1CS(=O)(=O)C2 1558642724 BEZPZECWCZBDRM-DYZYQPBXSA-N 445.469 0.416 30 10 ICEE N#CC1(C[C@H](O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCC1 1559636455 KTSRBBVQVMCZEB-SFHVURJKSA-N 449.577 0.669 30 10 ICEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNS(C)(=O)=O 1588006544 NCLLVCLPGIHIPQ-UHFFFAOYSA-N 445.593 0.261 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1641524862 SBQPLCABLCIMQU-QGZVFWFLSA-N 442.538 0.885 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1642136262 XPTMQICZECCLTK-UHFFFAOYSA-N 444.473 0.767 30 10 ICEE COC(=O)CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1644206469 XWKYYSKSPZJSKQ-UHFFFAOYSA-N 426.470 0.047 30 10 ICEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCO1 1648463279 OFUGIMOXUCDZIL-SFHVURJKSA-N 428.461 0.412 30 10 ICEE CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c(Cl)cc21 1657132508 MMAJZOOUBAWNDH-GUYCJALGSA-N 443.934 0.808 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1 1687422082 YCNVEAAIEARKEG-GOSISDBHSA-N 448.545 0.854 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1690006457 PTGFQHZHLBDIQX-UHFFFAOYSA-N 441.513 0.280 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C(N)=O)nc2)CC1 1690152214 CDDCSEVAGDRZKG-UHFFFAOYSA-N 425.493 0.323 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1690622058 GXKBJEHXBWAPIR-APWZRJJASA-N 443.570 0.819 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705523950 CPOKNXGULHTIAX-CQSZACIVSA-N 446.599 0.067 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705895078 SYDNVIXEZDOINO-INIZCTEOSA-N 430.513 0.513 30 10 ICEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)c1=O 1710194039 BGMNOJXBOMLPFC-BZSNNMDCSA-N 428.493 0.961 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1722398420 YILIZQIUOIWXCV-UHFFFAOYSA-N 445.483 0.916 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2cc[nH]n2)CC1 1722445384 WGQUZKJHYNQQJJ-HNNXBMFYSA-N 426.525 0.911 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722728354 QIUGMCXLTKWDSA-LSDHHAIUSA-N 432.568 0.396 30 10 ICEE CS(=O)(=O)CCOCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1731011220 ZFDVTMCEOWQDQX-GOSISDBHSA-N 433.534 0.853 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1740623098 ODLOVLOAINHEDP-HOTGVXAUSA-N 426.564 0.750 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1740705968 PEILCWNSOFQDBO-KRWDZBQOSA-N 437.504 0.290 30 10 ICEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1740946827 INJCXXFHVNMRJE-CQSZACIVSA-N 444.558 0.758 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1740990775 ZIFWMQLJDQXJIY-UHFFFAOYSA-N 440.551 0.349 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2conc2COC)CC1 1748978224 IJLGAYYUSHGZQL-OAQYLSRUSA-N 430.509 0.868 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1760155055 OQOXSTLHAXANPQ-SJORKVTESA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760186146 AXYPSIAPVVZMGU-IRXDYDNUSA-N 437.566 0.715 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1760248888 FNVFRSGHYOZANX-KRWDZBQOSA-N 431.518 0.413 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760521944 IGPJCLDOPHTZAV-OAHLLOKOSA-N 432.554 0.961 30 10 ICEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1770149615 CHVKEKOEBRWLMR-PBHICJAKSA-N 434.522 0.868 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2255699898 URZUZOBTWMYLAC-LBPRGKRZSA-N 437.306 0.785 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286039750 JXGMKBBTKNKUTF-IRXDYDNUSA-N 436.490 0.368 30 10 ICEE C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472899116 FSHMWZWUOWGINS-SFHVURJKSA-N 448.593 0.600 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O 499088551 NYVWBNTYROIMEX-UHFFFAOYSA-N 434.880 0.840 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)N[C@](C)(C#N)C4CC4)CC3)C2=O)n(C)n1 506679538 QSEJBWNKBGOXTB-XMSQKQJNSA-N 427.553 0.650 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(OCc3ccccc3)CC2)c1=O 613979361 FNGOMPROSOSVMG-UHFFFAOYSA-N 440.500 0.752 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 781017659 DVSZAMWLPWGWCL-IBGZPJMESA-N 429.454 0.552 30 10 ICEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782942548 PODUKDDSZXPTFH-INIZCTEOSA-N 444.565 0.972 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOC4=O)cc3)CC2)n1 809426054 FCMFCCPJGFOSKE-UHFFFAOYSA-N 434.456 0.875 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CC3(C#N)CC3)CC2)cc1 815414827 RWZOOVHWRHNDCH-UHFFFAOYSA-N 433.486 0.959 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cnc4n3CCOC4)CC2)cc1 1256248478 BCWBRTBMRNYWPZ-UHFFFAOYSA-N 430.490 0.501 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286398154 WEILXXCBDHHGHT-QGZVFWFLSA-N 440.566 0.885 30 10 ICEE CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1286889049 CIKAULRHJIVGTB-DOTOQJQBSA-N 437.570 0.083 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301257857 FHHBQZGZZOROIX-RDJZCZTQSA-N 425.555 0.830 30 10 ICEE CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1302525763 FSKXDCMSROAQKT-KGLIPLIRSA-N 444.583 0.481 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 1312708879 OOPSREYGNFQIDI-BRWVUGGUSA-N 438.554 0.175 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1316529946 CMQSTSDBKLFYIQ-OXJNMPFZSA-N 446.508 0.964 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 1359304105 LTDPWBAQWCZRMT-AWEZNQCLSA-N 446.533 0.961 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1359306245 ZZKGTLUKGZHNTI-HBGVWJBISA-N 435.525 0.617 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccnn2)CC1 1359332575 BDAGMLCAOYGDLE-MRXNPFEDSA-N 433.538 0.499 30 10 ICEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCN2CCO[C@H]1C2 1436422169 APLBVASAOGGJHU-PMACEKPBSA-N 432.546 0.890 30 10 ICEE C#CCN(C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1470518950 TWIILHINBSVXSK-HXUWFJFHSA-N 446.573 0.716 30 10 ICEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1507756531 NZOJECDDNSYHIW-KRWDZBQOSA-N 439.545 0.834 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)CCOC1 1509819520 UZAHHYHCQOQQFB-WOIUINJBSA-N 448.568 0.894 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1519242297 IWZCPNFCJSLBDF-UHFFFAOYSA-N 449.519 0.973 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)CCO1 1521122165 SWXRCPGLPGTSNF-QGZVFWFLSA-N 440.508 0.767 30 10 ICEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(C)=O)CCOC1 1547916700 YUWPMZSNCDEZTM-NQIIRXRSSA-N 431.541 0.633 30 10 ICEE Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1565728733 DBYAHCOOZZXGCM-MRXNPFEDSA-N 439.472 0.657 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1588024755 KXHCWKGUAABTNV-GJZGRUSLSA-N 425.580 0.796 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 1623099659 LZLVWGBREJHPNZ-MUUNZHRXSA-N 442.563 0.199 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1660902178 ILHKSOXFEUTFNA-GJZGRUSLSA-N 436.552 0.074 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1705577092 UOQZZYULAFHWOS-OAQYLSRUSA-N 443.529 0.420 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(=O)NC 1705698685 XHMBYCGGLKCTFK-FMKPAKJESA-N 428.559 0.442 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705700393 SQXXVTZHCRPFFP-DFGXFYAUSA-N 437.566 0.828 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705725792 QWCJCBGLDJACQY-CQSZACIVSA-N 431.584 0.617 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705903515 XIMSNQFWUZGNRG-MOPGFXCFSA-N 431.585 0.691 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1722389580 JWGDKGOXYGELOL-YVORESIASA-N 427.596 0.898 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722698674 KCCVRHSUPBGKNG-CQSZACIVSA-N 429.529 0.701 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722706648 WIXSOZXYGOZBET-YJBOKZPZSA-N 440.504 0.883 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1726637009 FCHOKZDZAVOYRN-VBKZILBWSA-N 444.517 0.033 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185890 GLYNKYIGBFZONV-INIZCTEOSA-N 437.566 0.385 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1760555612 IYGIMSVMEMLKTF-INIZCTEOSA-N 441.554 0.416 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1760566401 SLMZKAMABLCWOA-PBHICJAKSA-N 444.558 0.972 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CC=CCC1 1761498497 GIVZCERUQTVUTE-FUHWJXTLSA-N 448.597 0.327 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)n1 1851657906 WHVOBKWEIGPMLW-OAHLLOKOSA-N 434.456 0.821 30 10 ICEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255619870 SZABOXFGOIAGFE-KRWDZBQOSA-N 425.342 0.913 30 10 ICEE CC(=O)OCC1=C2[C@H](OC1=O)[C@@H]1O[C@@]1(C)CCC(=O)[C@@](C)(OC(C)=O)C[C@H]2OC(C)=O 256302002 JNLNEIIZZQABDP-WFUUAIFHSA-N 438.429 0.936 30 10 ICEE Cn1cc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 435821435 DOVZEOHJMPIHCU-UHFFFAOYSA-N 439.501 0.839 30 10 ICEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCOCC1 439634531 KSHKTBOHHRDOTI-KRWDZBQOSA-N 449.533 0.212 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)CC1 446959168 TWMQQHVORSRMDF-UHFFFAOYSA-N 434.522 0.003 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 466024421 CYCGXXATBLXMFG-SFHVURJKSA-N 429.521 0.296 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1[N+](=O)[O-] 471682847 NCPYNRMOMYLLSH-UHFFFAOYSA-N 433.446 0.960 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(N2CCOCC2)n1 477395065 TXDWBIFGJFCEQN-OAHLLOKOSA-N 429.502 0.773 30 10 ICEE COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481039865 QBWPANLXBXZEPH-HNNXBMFYSA-N 426.514 0.686 30 10 ICEE Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(C[C@H]2CCCO2)c1=O 501993272 HAEJPXZAQUSAQC-OAHLLOKOSA-N 436.497 0.359 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O 512738765 PBJAMRGDMQRHKG-UHFFFAOYSA-N 443.573 0.577 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 679532479 TUMBEPXYAOXHSZ-HUUCEWRRSA-N 425.507 0.742 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 732561600 RCENERJQALKXIW-KRWDZBQOSA-N 441.557 0.867 30 10 ICEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 754716652 BXMJDVJTPQBFOV-VHEBQXMUSA-N 441.554 0.414 30 10 ICEE CCN1CCN(c2cccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)CC1 770745437 GLFGNEUTQSBMIX-VXPUYCOJSA-N 440.504 0.410 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809895396 UJWIUMYPLZEYAY-FUHWJXTLSA-N 434.566 0.930 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1157009203 IHFRSSBRMOTZFX-UHFFFAOYSA-N 425.338 0.801 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(OC)c2OC)CC1 1221222853 PMULOUJWLBXKDA-UHFFFAOYSA-N 426.495 0.007 30 10 ICEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CCOCC1 1253349062 WOGJLFOCKUFTJD-CQSZACIVSA-N 426.461 0.575 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2cnn(C)n2)CC1 1286492885 BIVBKFJDVKNBPF-UHFFFAOYSA-N 447.547 0.991 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1300688708 JUMMNUXEFOFURL-QHCPKHFHSA-N 440.548 0.784 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1300763514 QGAJGIBCQYAYRA-WBVHZDCISA-N 434.591 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2CCOC[C@H]2C1 1301585296 LDBVELMYJGMNJH-QGZVFWFLSA-N 432.550 0.770 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@H]1CCOC1 1303837688 ZFRWBZVQJNPXFS-HDMKZQKVSA-N 444.533 0.773 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCC2)C1 1316354352 GRISVBUYCFXRCL-PBHICJAKSA-N 442.517 0.358 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCC2CS(=O)(=O)C2)C1=O 1320941591 XNHDWQJJJGLKPC-CYBMUJFWSA-N 426.520 0.593 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1504537657 GEQUJPYGQBJYBG-UHFFFAOYSA-N 435.492 0.725 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCS(C)(=O)=O)c1 1507550074 FEBXNAYZMWSJHI-INIZCTEOSA-N 444.517 0.330 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508084492 CFRBVVQTUAGBFU-KKSFZXQISA-N 428.468 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508139451 GXIXHLWJPLRAFO-SFHVURJKSA-N 435.510 0.310 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)COc1ccc(C#N)c(Br)c1 1537923787 PFXIRHIQBBXLQC-UHFFFAOYSA-N 438.325 0.873 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1539615796 MBSKJLVPWSQEKY-JJXSEGSLSA-N 441.554 0.869 30 10 ICEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1548127824 DBLCTRQPPDRBLB-MRXNPFEDSA-N 427.462 0.364 30 10 ICEE COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1555245159 FPJPJDAASVUDDS-KRWDZBQOSA-N 442.524 0.671 30 10 ICEE CC#CC[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583661332 DAQSDTZYFFSMDH-UKRRQHHQSA-N 449.451 0.508 30 10 ICEE CN(C)S(=O)(=O)C1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1584442752 VYANSHSCLCIADU-OAHLLOKOSA-N 433.490 0.303 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1588975762 LPXPIEPDIGSXCF-CQSZACIVSA-N 433.538 0.255 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCO[C@@](C)(C#N)C2)o1 1617895981 UPYSJICWTQMMER-ACJLOTCBSA-N 425.463 0.750 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(OC)c(OC)cc2OC)CC1 1678370090 TVYXESVKNFSNSH-UHFFFAOYSA-N 426.495 0.007 30 10 ICEE CCNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1683228049 GVICLQHTBOKJDK-YOEHRIQHSA-N 426.520 0.065 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689875620 XNQUTSRGWACXMR-QAPCUYQASA-N 443.595 0.707 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1689984104 LHRQZEYKVHTGPI-QZTJIDSGSA-N 438.513 0.722 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1689988438 OZUYYDKLXVSRNA-WBVHZDCISA-N 435.550 0.277 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1690029453 CCJLUDPKFCDYIS-ZZEZOPTASA-N 435.488 0.503 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1690675793 FKZLGTVISIVRGR-SFHVURJKSA-N 437.504 0.552 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1691503137 DJQYVBUGQVJWBW-AWEZNQCLSA-N 434.522 0.902 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1705565955 LBRNNARLTHXMQP-HOTGVXAUSA-N 444.579 0.581 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1705623161 IIQIBVHIRWMWPN-OAQYLSRUSA-N 445.545 0.913 30 10 ICEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1709942706 BYTYVHFMKNTESA-MRXNPFEDSA-N 437.547 0.875 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)CC1 1722438387 XBZKPXPZGAJTBX-MRXNPFEDSA-N 434.591 0.943 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1722698630 IZLRJAFOUPZTDB-MRXNPFEDSA-N 438.598 0.793 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCN(C(C)=O)CC2)CC1 1740692405 VMDDPQPIOKFLHY-UHFFFAOYSA-N 425.537 0.766 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740875632 GZZLUMVFSUGVBQ-CABCVRRESA-N 449.599 0.447 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCNC(=O)C1 1740954764 GIXPXQQEIDBADE-UHFFFAOYSA-N 428.493 0.981 30 10 ICEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C 1741862349 GWRDZCAWVIXMGE-MRXNPFEDSA-N 447.565 0.760 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1748811054 ARADYBQSJDRPCL-MRXNPFEDSA-N 437.547 0.402 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(=C)C 1748891664 CRQLVVDYDQWCSM-SFHVURJKSA-N 435.550 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCOC[C@@H]2C)CC1 1749009391 QRIOLIUQPDLJEF-KRWDZBQOSA-N 425.537 0.960 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)N(C)C 1749055348 IHZADSCNXIXYAP-RTBURBONSA-N 425.555 0.814 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1750908999 RMAMZUMQWITKGN-UHFFFAOYSA-N 425.493 0.917 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1760201949 OHOCMFGTWBVAQN-KRWDZBQOSA-N 426.502 0.192 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1771189659 XBHYIHVIBCBRRQ-DAYGRLMNSA-N 444.533 0.868 30 10 ICEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN(CCO)CCO 1870508120 MHKMKTWIWDIUKE-UHFFFAOYSA-N 429.517 0.858 30 10 ICEE Cc1nn(C)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627183 PDTWALFWITUJBS-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2255699761 RXCFSWJEASWCQU-OLZOCXBDSA-N 433.318 0.948 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)N(C)CCOC)C3)cc2C1=O 485932584 NEYZZDFNJMCHAS-INIZCTEOSA-N 449.529 0.981 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CC1 540852283 QYDAIHLLSDAKOY-UHFFFAOYSA-N 429.587 0.066 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@@H]1CCCO1 603799047 RSDLBSFCLZPGFX-SFHVURJKSA-N 441.553 0.971 30 10 ICEE C#CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)[C@@H]1CCS(=O)(=O)C1 731213607 HMGOQPBSRPFLEM-HXUWFJFHSA-N 431.558 0.388 30 10 ICEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NS(=O)(=O)CCCC#N)c1 776122881 UQQYPQYJGUVECE-UHFFFAOYSA-N 428.536 0.900 30 10 ICEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 917862226 FJNYEWGYSSVRKL-UHFFFAOYSA-N 443.938 0.949 30 10 ICEE C=CCCCn1c(-c2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286697259 HJKRZKJDZGUZFB-UHFFFAOYSA-N 437.508 0.773 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286758682 UGGOJLXXJFXSHW-HZPDHXFCSA-N 443.595 0.640 30 10 ICEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCS1(=O)=O 1291986270 HLSVBORPWRRMMN-AWEZNQCLSA-N 425.559 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300492829 OWUCRPGEESNTSL-GOEBONIOSA-N 432.506 0.509 30 10 ICEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300949076 PJECVARPFLETGU-HNNXBMFYSA-N 430.513 0.562 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1301477787 FJXGOXIOYZJJDY-FQEVSTJZSA-N 427.465 0.223 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301493452 ZDYADTNFVQKPSY-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1302124842 VRCPYIWWMYIRJM-HNAYVOBHSA-N 436.488 0.883 30 10 ICEE CN(C)CC#CCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1302295004 FDOOXCRBWDJMBF-UHFFFAOYSA-N 434.518 0.450 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)CCO1 1309504639 CFMRICJYRYUFDJ-RISCZKNCSA-N 436.303 0.798 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1316492072 KPPIIBRPFMZQNE-CWQLWUHWSA-N 431.472 0.721 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1358903799 KGONDJDZEMYKMH-INIZCTEOSA-N 429.525 0.986 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359287472 FVWDYMGSZFSYCC-NXHRZFHOSA-N 436.582 0.355 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359336320 MBJFHFTYBQOXGR-HNNXBMFYSA-N 442.611 0.903 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1359400821 YLFWRODMSWSFEZ-KRWDZBQOSA-N 444.927 0.886 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1438601803 MKFCOQXURXVNCO-UHFFFAOYSA-N 436.490 0.068 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1507623421 XEIOFVRRBOQESP-OAHLLOKOSA-N 425.580 0.894 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507954815 PZVXIJYJAULUIS-ZWKOTPCHSA-N 449.581 0.754 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508084088 HPDZNVQOUMMXIU-FQEVSTJZSA-N 430.534 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508133451 JLLZWHVNVWOWDC-KRWDZBQOSA-N 441.517 0.631 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1517430762 CRJQURNOKPOSED-NVXWUHKLSA-N 433.557 0.951 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCOCC2)CC1 1539477762 XXDVDAKALRVFJU-UHFFFAOYSA-N 438.536 0.423 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1nncn1C 1540876769 ACPYRRDSRHSSFR-ZOBUZTSGSA-N 430.513 0.774 30 10 ICEE CN1CCn2nc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2S1(=O)=O 1584786956 FYFZWSYNVJXZGB-HNNXBMFYSA-N 428.474 0.314 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1588384981 DQPWGURPVHIDLQ-ROUUACIJSA-N 438.598 0.945 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCOC2)CC1 1588762253 FYCVJNFHIYCLDX-OAQYLSRUSA-N 445.545 0.255 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)C 1589493095 FURFSAUSCHJIHQ-VYDXJSESSA-N 442.586 0.830 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1593637144 YJPAKAVMOIDXKM-RDTXWAMCSA-N 440.526 0.218 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1595603041 WBIZWJZLGSAJMZ-KKSFZXQISA-N 432.525 0.434 30 10 ICEE COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619594266 WGTWVPZXFPRJGZ-INIZCTEOSA-N 441.492 0.710 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1619904436 FWVBKYSQXNWICA-UHFFFAOYSA-N 435.546 0.796 30 10 ICEE CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641151397 SJPHDVDPPMJFEG-KRWDZBQOSA-N 428.493 0.242 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccc(OC)c(OC)c2)CC1 1650846201 NFVDJTUZSZIULX-UHFFFAOYSA-N 427.548 0.798 30 10 ICEE C=CCn1cc(CNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)nn1 1668511315 XJGSKPRQHMWCMN-UHFFFAOYSA-N 435.290 0.188 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689989614 HGXMVDFYRUICII-OAHLLOKOSA-N 445.611 0.385 30 10 ICEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690154975 BTMKZAULGQJNQF-OAHLLOKOSA-N 446.581 0.625 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1690663470 XVCRLFKJNHQFIU-INIZCTEOSA-N 449.533 0.502 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1690669958 TWVQIQYQDPPJEQ-MRXNPFEDSA-N 439.520 0.867 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690676982 KAWRBLPBGRPBSD-GCJKJVERSA-N 448.568 0.391 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690722354 GOCIAJDPMFHSCB-UHFFFAOYSA-N 447.565 0.774 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCOCC1 1692780316 DNUYIIIRFBDUQG-KSSFIOAISA-N 444.533 0.916 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1697017766 IFJABZQHORAWIK-MRXNPFEDSA-N 442.505 0.364 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1705565637 IORRCMMQKNVGNY-INIZCTEOSA-N 440.533 0.935 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1705621743 MZNSHJKHGNVCLZ-HOTGVXAUSA-N 449.533 0.814 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2(C)COC2)n1 1705631649 LNAXLKWZDACDRE-QGZVFWFLSA-N 427.509 0.748 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705638274 FFJFSXJSGFKLOD-GOSISDBHSA-N 443.577 0.685 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1)C1CC1 1705854753 NNWKWAVROVBTNI-CVEARBPZSA-N 437.566 0.830 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 1705891012 UWASQZLDCKHHIU-KRWDZBQOSA-N 440.570 0.098 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1705931725 YNTZZLMZBMZDBU-UHFFFAOYSA-N 434.478 0.733 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1722490784 DCQWYTJODRGTKZ-FZKCQIBNSA-N 440.570 0.584 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722685799 NFEHJMHQOYNDIF-CQSZACIVSA-N 446.533 0.908 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCCOC)CC1 1722697954 TWLPCUQCSCDMPL-UHFFFAOYSA-N 446.508 0.940 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1722706190 NBVUMXWBKODZLK-INIZCTEOSA-N 432.456 0.250 30 10 ICEE CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1728101585 JZSCWALWWDSMQJ-DCOQFNDQSA-N 436.538 0.943 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1740959126 KYXKZSXFRZVXQI-UHFFFAOYSA-N 447.503 0.827 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1748671990 PAFCPSADERUSHJ-HOTGVXAUSA-N 425.555 0.886 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749457517 MGQIWIYWGRYOBV-BZUAXINKSA-N 442.538 0.133 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1760521577 XMERPOQZLMOYSC-UHFFFAOYSA-N 429.481 0.367 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760552209 GLPUUQNLNQYDME-HNNXBMFYSA-N 441.579 0.898 30 10 ICEE CCCCCCCCCCCC(=O)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN 1866332401 SWWXOKWDSLUJSG-UHFFFAOYSA-N 428.530 0.538 30 10 ICEE C#C[C@H]1CC12CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 1891815054 QLPDVYKZYYNJDE-SFHVURJKSA-N 445.541 0.699 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCNOCc2ccccc2)n1 2247903470 GWGVVQJDDGHZGH-UHFFFAOYSA-N 436.343 0.719 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2337203609 AAQJLIHLYZLUSQ-SFHVURJKSA-N 439.369 0.923 30 10 ICEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3nnc(C)s3)o2)c1=O 101351005 OZPVTORZKWCECB-UHFFFAOYSA-N 435.491 0.896 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 512366127 ICDPTVPCWXJRSB-UHFFFAOYSA-N 448.589 0.850 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 514648399 QWSFKBHDEPURKV-UHFFFAOYSA-N 440.569 0.661 30 10 ICEE N#Cc1cc([N+](=O)[O-])c(N2CCN3CCOC[C@H]3C2)cc1N1CCN2CCOC[C@H]2C1 553487538 ZDLNBIIIRMCYLE-QZTJIDSGSA-N 428.493 0.508 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CC=C 590897188 BDMQJSHXVSRBCX-UHFFFAOYSA-N 439.493 0.681 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)c1 737253645 DUKALHVNIPULEF-XIEYBQDHSA-N 444.517 0.483 30 10 ICEE C[C@@H](CC(=O)N1CCN(Cc2nccn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742643180 OKOYXIKXIHNHLG-HNNXBMFYSA-N 430.534 0.582 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n(C)n1 744571358 IFXIQKMPQJKROK-MRXNPFEDSA-N 431.474 0.883 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1286297097 UTNWHIDAKAFIOA-ZFWWWQNUSA-N 449.562 0.826 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286394094 UIIAAJNRFDAAMP-INIZCTEOSA-N 428.580 0.682 30 10 ICEE Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290852801 ZNQKLFMGLYMIIC-HNENSFHCSA-N 436.476 0.470 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1300686283 ZKKFSARVZDNJQI-UGKGYDQZSA-N 432.569 0.406 30 10 ICEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1=O 1307345435 CYWPAMJHTXTMHB-UHFFFAOYSA-N 441.513 0.840 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1359327283 XLYQVRBFXUGTIY-UHFFFAOYSA-N 440.570 0.464 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1359329333 GBJSGPOSHBDVRJ-UHFFFAOYSA-N 433.534 0.841 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1F 1437081267 GBZSWMFWBVKMHI-QGZVFWFLSA-N 432.495 0.320 30 10 ICEE COc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c(OC)c1 1439793454 CXVAQMYYUFJTDS-LAPQFRIASA-N 433.486 0.453 30 10 ICEE CS(=O)(=O)NC[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1471728138 HLYXDDROCMLCTH-GDBMZVCRSA-N 433.490 0.161 30 10 ICEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 1475667656 QCUFTHAOMWNFDS-GFCCVEGCSA-N 428.312 0.876 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1478736273 MMKZVMMUJYNXCI-UHFFFAOYSA-N 437.522 0.785 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1507536420 BZCVQSBFSGMYOU-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCOC2)c1 1507549059 YGGAKZTYMJNPAD-QFIPXVFZSA-N 440.504 0.624 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC 1507690344 RFENXVACLRJONU-HNNXBMFYSA-N 431.584 0.311 30 10 ICEE Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511882274 VVTZKCWMKSGIMP-NRTINQSCSA-N 429.525 0.662 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539613576 ZGMVNXKTRKSQQA-KONPQCLYSA-N 435.525 0.758 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1540200676 GXUULHMDERLHJQ-SJORKVTESA-N 427.571 0.540 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1540858119 HRQNEJAXVQSQSZ-INIZCTEOSA-N 426.543 0.150 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CC1 1541206281 JPGWFJXQKGRAQU-GJZGRUSLSA-N 434.497 0.840 30 10 ICEE CC1=CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1542801707 WVMRQDBRSAJXIH-QFPXGYFVSA-N 446.533 0.863 30 10 ICEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1554437652 COTNWZQLZYMPMF-UHFFFAOYSA-N 425.493 0.779 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)s1 1556961778 JOJVOGCEFREQJJ-ZIAGYGMSSA-N 434.561 0.169 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1558329426 PXXWWXIGBZXIKL-NUJGCVRESA-N 425.938 0.678 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588049698 KWHDLUOWBVYBLU-HNNXBMFYSA-N 439.501 0.442 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)CC1 1588780420 PPBTWCRIMSBFPN-UHFFFAOYSA-N 434.508 0.202 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593740730 DIFKMDRPJMYSHH-KRWDZBQOSA-N 447.540 0.396 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2n[nH]cc2I)cc1 1633474907 GUKCERRGNIEAMK-UHFFFAOYSA-N 431.215 0.803 30 10 ICEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654888905 LDXQROAEOSTWQL-GLJUWKHASA-N 440.547 0.134 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 1658444374 OJNDWXJNXAEOOV-IRXDYDNUSA-N 435.550 0.917 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1665968396 ARHQATQUDBKRCP-KSSFIOAISA-N 438.531 0.895 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)CC2)c1C#N 1686875473 DXQXIRUYNAXBNI-SFHVURJKSA-N 431.541 0.705 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1690009801 KFQAYKHXVPEAGN-HXUWFJFHSA-N 428.470 0.296 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)C1 1690699854 KBTLYMPRIOHPMA-VPRUJKLYSA-N 440.566 0.892 30 10 ICEE COCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698219716 UCRILBWXYRUFAK-QGZVFWFLSA-N 441.492 0.817 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCN(C)C)CC1 1705768994 GDYONMQKZTXDNZ-QGZVFWFLSA-N 442.586 0.346 30 10 ICEE COc1ccccc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1711987125 DLHLGXVHTFVYCO-HOCLYGCPSA-N 434.522 0.868 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1722377093 OZBBRJMOSQKKSW-GOSISDBHSA-N 429.488 0.908 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1722383031 FNIFVCHLEJPQQJ-MOPGFXCFSA-N 448.593 0.416 30 10 ICEE CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1729613551 CKFJIDLFWMJRJQ-UONOGXRCSA-N 441.558 0.122 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CCO1 1729680465 FEYHACRFTHESRS-LFRPXUGBSA-N 426.477 0.308 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740710549 ZBEPKOVPEFCCLQ-INIZCTEOSA-N 434.566 0.610 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1740962139 UEPOBVXTUNOVHZ-UHFFFAOYSA-N 438.536 0.950 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1748804151 DXACQSDXRPUPRH-DLBZAZTESA-N 444.565 0.714 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748814769 IYSCPCPANXOMDH-IBGZPJMESA-N 448.593 0.336 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1749402685 QNDMZMBYRWGNNG-QGZVFWFLSA-N 438.598 0.795 30 10 ICEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749408789 LYXOPDSIWFAGOC-MRXNPFEDSA-N 444.540 0.953 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1749444734 DLPDWJFJGFWTDZ-ZIAGYGMSSA-N 428.515 0.122 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760357109 DYDQEQUQSRHZLO-OAHLLOKOSA-N 446.595 0.786 30 10 ICEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1762618946 CRLKBXMFVKWWDT-UHFFFAOYSA-N 444.561 0.720 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)CC1 1771564568 NDDAICQUYIPBSA-DUPDJQDOSA-N 434.522 0.615 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)n1 2255651333 IICSIISONJVZLA-UHFFFAOYSA-N 435.334 0.917 30 10 ICEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)N4CCOCC4)cc3=NC2=O)cc1OC 216524409 GGNBJVQTZKAJCM-AQTBWJFISA-N 435.436 0.722 30 10 ICEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 439811574 VMVLLAIXJUYLTN-JOCBIADPSA-N 434.470 0.425 30 10 ICEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)c1C#N 472196451 QFPGHXASXSMAKF-UHFFFAOYSA-N 435.531 0.441 30 10 ICEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 606631081 UTWYUWDEKHPPGL-UMXKZIAQSA-N 443.420 0.753 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC3)CC1 616972050 QHLOJILPNZWAPN-DYESRHJHSA-N 435.532 0.521 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)[C@H]1CCS(=O)(=O)C1 729330872 GOODNGSLNBVNPW-ZDUSSCGKSA-N 448.950 0.527 30 10 ICEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 730098192 UXNLBUYADHRKAQ-QRVBRYPASA-N 445.541 0.832 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1OCCN1CCOCC1 732454768 BRHSGEBFKVIPQG-MRCUWXFGSA-N 443.504 0.723 30 10 ICEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 760320298 WEGKJUHRQBCGQF-HUUCEWRRSA-N 446.533 0.657 30 10 ICEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCc1nnnn1C 771537122 KJGMRPPLANCLSD-MRXNPFEDSA-N 444.565 0.761 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 781050948 IRVVYVZQBMWNLH-TZIWHRDSSA-N 436.516 0.973 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648294 DWAHSVWYCATUHZ-UHFFFAOYSA-N 444.557 0.996 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 789323621 PWFVXQKHLVBIFC-UHFFFAOYSA-N 431.518 0.201 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc[nH]n1 1138034130 RZBAQVSKBRYXHZ-INIZCTEOSA-N 427.461 0.858 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[C@](O)(CC#N)C1 1143192284 YINAYVOPBJFFNY-HXUWFJFHSA-N 436.534 0.512 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286393113 JNIKOBPHYPVQDN-GOSISDBHSA-N 444.561 0.805 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286785693 QCYGENXJLJREOB-UHFFFAOYSA-N 440.552 0.710 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)C1 1286805375 SARHUYFTQHLMCF-GCJKJVERSA-N 449.552 0.959 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)c1 1300334308 LJZPSCMWDUDBJO-INIZCTEOSA-N 443.529 0.761 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1306193172 DPWURHKVRFGQST-MRXNPFEDSA-N 446.581 0.906 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 1309597077 CNKUJJRAHJTTOF-UHFFFAOYSA-N 426.926 0.064 30 10 ICEE COc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1F 1312571945 PLNIBHUCZIJVFI-IQUTYRLHSA-N 436.465 0.907 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1314524986 JABRAYRSHFRYAD-CYBMUJFWSA-N 441.535 0.564 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1358941229 BRVJAAGYTMUVBA-UHFFFAOYSA-N 425.536 0.309 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359049806 WQDFNQQMANANTG-CABCVRRESA-N 437.595 0.982 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)C1 1359329225 CDPDWTMEVLJURD-UHFFFAOYSA-N 433.490 0.253 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC1 1470319073 ZWSDQFTYWHTNLJ-UHFFFAOYSA-N 436.925 0.821 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cn(CC(=O)OCC)nc2-c2ccccc2)CC1 1474681817 OPGMOCQARKWEQI-UHFFFAOYSA-N 445.545 0.698 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1 1478197719 XWSZIVWCSIDNRI-UHFFFAOYSA-N 435.428 0.274 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1492746461 TYWHWAJEAIQSIS-GOSISDBHSA-N 439.517 0.643 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1503248193 HIAQYOYNSWFPQI-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1510159116 RPSKECKUFBGHCA-JCGIZDLHSA-N 448.549 0.936 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539443898 ACAMQOMTYDDRET-UHFFFAOYSA-N 446.515 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1540901770 OOYQKTFGHSIWMG-UHFFFAOYSA-N 433.538 0.641 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 1556504017 HSACHSASUBRRCE-OAHLLOKOSA-N 433.306 0.769 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1 1557332378 XUJZYHLNIKEEGO-UARSRXHTSA-N 426.539 0.923 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588049118 AMYGXUZOCKRNLE-CABCVRRESA-N 440.476 0.730 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588055452 VXZQIVJMNUOGKW-XWBFJWKOSA-N 440.591 0.710 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1588732612 DXVLOZNOABOTLG-AVRDEDQJSA-N 430.553 0.900 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(CS(N)(=O)=O)c2)s1 1611098933 IIILPEAETBJFGU-UHFFFAOYSA-N 443.572 0.860 30 10 ICEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1619284361 HNADKWYFYOWAOV-RDJZCZTQSA-N 447.517 0.974 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1690047762 YLBRRZUXGCGMKM-GOSISDBHSA-N 445.549 0.164 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1690660289 DAZVIWZCVNVXEV-HNNXBMFYSA-N 441.602 0.501 30 10 ICEE CC(C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691806716 TVDONPQDNLJNLX-ZWSWSHGQSA-N 448.549 0.943 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692507516 VJLKEKZOKRGZSF-KIJUOZEOSA-N 445.524 0.806 30 10 ICEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)c1 1693228668 AVXSNYKGVMZDOJ-QGZVFWFLSA-N 434.522 0.834 30 10 ICEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705540406 YURJJGXAVOFPPL-IRXDYDNUSA-N 434.566 0.788 30 10 ICEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705585051 IYQFFWCVNKQTJU-NRFANRHFSA-N 428.514 0.522 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCOCC2)CC1 1705635006 OSVXFLSXCXKQES-HSZRJFAPSA-N 446.596 0.798 30 10 ICEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1711294843 HQCRWAWQZXVANP-ZDUSSCGKSA-N 431.522 0.771 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1722291387 FCFAUFIXEVJESF-ZDUSSCGKSA-N 429.506 0.199 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)CC1 1722447195 GJQCEYAYZLYZHX-ZYSBOAIWSA-N 446.577 0.496 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722692184 HFLYMVYGMBJKTC-CQSZACIVSA-N 445.528 0.293 30 10 ICEE CCc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1Cc1ccc(C#N)o1 1727618124 HNQSUIAQQAHWDX-UHFFFAOYSA-N 431.478 0.993 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1729342566 HJOMEXQMSUOYQC-JKSUJKDBSA-N 446.489 0.822 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1740694958 YTYOGVLZXZGAHT-LJQANCHMSA-N 430.553 0.818 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1740898905 AAZWNAOFRYBHCS-KRWDZBQOSA-N 431.522 0.929 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740990405 UCUZTYYWAOOCAM-BEFAXECRSA-N 436.538 0.664 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2OC)CC1 1748971015 AHPOHEDVZZWTTF-UHFFFAOYSA-N 439.520 0.730 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1749670449 UAPQTIHTKHAVOV-JYJNAYRXSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749677212 RNHXSXRPTQEKNU-NRFANRHFSA-N 437.548 0.881 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760189349 ICFJEICIXQELAR-HGHGUNKESA-N 445.545 0.431 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760346322 SGSMHMJDAWQRJJ-MRXNPFEDSA-N 438.554 0.331 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1C(C)(C)C 1760558249 KCIMSGFUVXIXGG-AWEZNQCLSA-N 433.600 0.694 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1763138731 XFEVRDVFBWECIB-UZAQASBGSA-N 448.549 0.799 30 10 ICEE CCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1767699687 IPEYAPIJJSVGLL-KIJUOZEOSA-N 445.524 0.948 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1768518745 RNALROGSMZODCT-QGZVFWFLSA-N 448.549 0.656 30 10 ICEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771346880 FWPQUETXMXMRRU-ZFDMEJTGSA-N 434.522 0.695 30 10 ICEE COCCN(CC(=O)N1C[C@H](CN2CCC3(CC2)C[C@H]3C#N)CCC1=O)S(C)(=O)=O 1857280839 FDLQQXLDLLLWHX-IRXDYDNUSA-N 440.566 0.285 30 10 ICEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(C)CC2)cc1=O 1870385416 WJKSVDXEAMLBSS-UHFFFAOYSA-N 432.546 0.856 30 10 ICEE CC/C=C\[C@H](O)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O 2085148343 SLYDIPAXCVVRNY-QYCAIMRZSA-N 431.441 0.003 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620188 XCCGXTKOZUALIT-STQMWFEESA-N 436.318 0.809 30 10 ICEE O=c1c(C=NCCCN2CCOCC2)c(NCCCN2CCOCC2)nc2ccccn12 2293491564 ZMXIMAGIPWQORV-UHFFFAOYSA-N 442.564 0.970 30 10 ICEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 20838054 BODCQUAUCLQGED-CNHKJKLMSA-N 449.522 0.845 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 511698155 CWOUUZHPQOPVSF-UHFFFAOYSA-N 442.497 0.856 30 10 ICEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1C 611374123 ALTZGVYSYBBCKY-UHFFFAOYSA-N 432.506 0.975 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 732561601 RCENERJQALKXIW-QGZVFWFLSA-N 441.557 0.867 30 10 ICEE C[C@@H](CC(=O)OCCn1nc2ccccn2c1=O)/N=C1/NS(=O)(=O)c2ccccc21 744120491 JHNPCMIKPNLLBR-ZDUSSCGKSA-N 429.458 0.557 30 10 ICEE C[C@@H](CC(=O)Nc1ccc(=O)n(CCN(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 756065569 HCYVFDPRDPAYIF-AWEZNQCLSA-N 431.518 0.866 30 10 ICEE CC(Cc1ccc(Br)cc1F)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771890214 OMNZYLKVGBRNTD-UHFFFAOYSA-N 447.286 0.883 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)ccc1F 803576693 UBLQLHDVAHJCCQ-AWEZNQCLSA-N 433.527 0.834 30 10 ICEE CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1180990486 SYGCAGVHDLRMOD-INIZCTEOSA-N 427.486 0.756 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300371345 CLYLDCXGKSQEOD-UHFFFAOYSA-N 443.552 0.778 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1300663476 CXAFEDCVHPNCAB-SFHVURJKSA-N 439.520 0.595 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCCCO)CC1 1300723681 ZJYIJFBTTZHXPM-INIZCTEOSA-N 434.566 0.311 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300971512 BFLJHKDSWCGUGW-HRCADAONSA-N 440.570 0.538 30 10 ICEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCOCC1 1314356117 RDKKVTYAXYZMGO-UHFFFAOYSA-N 441.492 0.598 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(C)=O)CC1 1359048184 ICDXYHWELJETOL-OALUTQOASA-N 446.552 0.494 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1360714581 QOEAHBBUJAWUOC-MAUKXSAKSA-N 447.565 0.926 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1507540501 ZSDISFDXQBAARH-PBHICJAKSA-N 447.517 0.846 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507623778 XDXORJCUNSXPBM-HZPDHXFCSA-N 445.611 0.951 30 10 ICEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CC[C@H]21 1554326737 VHCICUGRFPTNGZ-DLBZAZTESA-N 443.533 0.423 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1595805026 KMCHKXBZSVMMKN-UHFFFAOYSA-N 426.587 0.288 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1610415417 KEZYWFRFVCVSAL-LJQANCHMSA-N 440.570 0.950 30 10 ICEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1620162181 JTVZECSUIATODY-SJORKVTESA-N 428.518 0.966 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)CC1 1650849154 WDOYWCUUFNYTQE-CVEARBPZSA-N 429.539 0.125 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(CC)n2)s1 1653820432 ZONVTKCCLHVOCU-YPMHNXCESA-N 425.536 0.770 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 1684388717 NMKNFUZQRABQSM-WKILWMFISA-N 443.570 0.617 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689992832 PKKSZSZBUCGZMH-HOTGVXAUSA-N 428.580 0.538 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1690019684 PCYMXLUOSKUDSB-IBGZPJMESA-N 445.589 0.898 30 10 ICEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690025484 SFLCBNVNXHYPGU-OAQYLSRUSA-N 428.514 0.788 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690723905 CWHDIZVKSCGVSK-HNNXBMFYSA-N 447.627 0.986 30 10 ICEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1696568157 XUCDQCNCLZJKMA-LSDHHAIUSA-N 444.583 0.483 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1698313727 NOGPNRKGSXUUMA-FPCVCCKLSA-N 442.517 0.478 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1698318540 CCSBHOVSIUFBQN-GJZGRUSLSA-N 432.462 0.480 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705564490 BFABDSVPBAYRDU-QGZVFWFLSA-N 442.545 0.801 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705567128 UNGMJFGTNFZAMY-ZWKOTPCHSA-N 442.545 0.802 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705567452 WKYQBGFDLTVVAA-KURKYZTESA-N 438.550 0.604 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705633205 LWFYRZDFGGMKBW-OKZBNKHCSA-N 438.598 0.705 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705900043 OBQAILLJUPABQK-UHFFFAOYSA-N 428.497 0.150 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1710893615 ODNAHOSEUHUANR-GOSISDBHSA-N 448.549 0.998 30 10 ICEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)n1 1729587658 CMZAUJKGVVGTTA-LBPRGKRZSA-N 432.286 0.952 30 10 ICEE CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729740294 FVIJFIOXKJHAGB-IKGGRYGDSA-N 443.533 0.522 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1740628207 ONKOPHDQRZTWEB-JXFKEZNVSA-N 435.550 0.452 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cc(CO)nn2)CC1 1740692822 OCULBPGQXMUVPE-UHFFFAOYSA-N 436.520 0.883 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746737536 JJHOMGOZBIATRF-NQIIRXRSSA-N 444.492 0.784 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1748817229 GVVIABIFLOIIPD-KGLIPLIRSA-N 432.955 0.559 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCS2(=O)=O)C1 1749718476 WEISZZVBWCJVAP-SFHVURJKSA-N 449.581 0.957 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1760289507 PNAPLZAYPHAFQS-CKEIUWERSA-N 429.568 0.315 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCC(O)CC1 1761462965 CNRXIICXUXIHIJ-CABCVRRESA-N 427.575 0.473 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C(=O)C3)C2)cc1 1854203047 ULFAXAZYXSZDAY-RBUKOAKNSA-N 430.530 0.238 30 10 ICEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCC#N)CC3=O)C2)cc1 1856043824 QTVOUIVZGABLTF-MRXNPFEDSA-N 434.518 0.680 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 2192655156 DWBCOOFCQGDPAH-NEPJUHHUSA-N 435.549 0.931 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2258959468 RPDZUAMBXJWZCZ-QVKFZJNVSA-N 438.330 0.860 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@H]2CCO[C@]2(C#N)C1)NC(=O)OCc1ccccc1 2286047810 JHCBYFIYBUYKFO-JTDSTZFVSA-N 437.474 0.399 30 10 ICEE C[C@@H]1O[C@@H](CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C1=C(C3=O)[C@H]2C[C@@H](O)[C@]1(O)[C@@H](C)O2 199179134 GNTIHWMOJLHUNA-GNHMSDOPSA-N 446.408 0.533 30 10 ICEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc(OC)cc2)nc2c1c(O)nc(=O)n2C 606630550 NQAVCNCYALMFBH-YVJZOELXSA-N 428.449 0.854 30 10 ICEE N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 734602765 XYLZGSLYAKPWHO-UHFFFAOYSA-N 430.442 0.770 30 10 ICEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)c1 754041561 PPXOXPPKMQVCNR-UHFFFAOYSA-N 433.468 0.569 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 755128147 OZULLBHZSRELOG-LSDHHAIUSA-N 427.523 0.151 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)CC3(C#N)CCCC3)ncnc1-2 759020658 IANVJULYYFUENS-UHFFFAOYSA-N 442.343 0.915 30 10 ICEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H]3CCC(=O)NC3=O)nnc12 798563909 DSENVRDMHFPOMY-ZDUSSCGKSA-N 427.442 0.671 30 10 ICEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)[C@@H]1CCCO1 808746659 TZTOPZHNZIXEAB-ICSRJNTNSA-N 435.546 0.932 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)ccc1F 1141041039 FTTUGEAEBREGAO-ZDUSSCGKSA-N 431.486 0.905 30 10 ICEE C#CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OC 1161365464 TXTVLDHRKGOUNY-OLZOCXBDSA-N 426.447 0.291 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286356443 PZLDUGQQYJHFKK-KRWDZBQOSA-N 436.582 0.922 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1300501193 HRVUUFOZBYDREO-MSOLQXFVSA-N 449.577 0.352 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301139750 VAVKBZVCIFEVRH-HZPDHXFCSA-N 434.541 0.751 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@H]2C)CC1 1359046964 MDJUTKNOBBRSMX-UZUQRXQVSA-N 442.564 0.917 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1359293842 BHHMEXRBVIINFW-QGZVFWFLSA-N 428.493 0.979 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359331607 DLQBOVQLAJHPJQ-HRCADAONSA-N 439.538 0.214 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359333088 OAFOLYXUWUGWRU-HUUCEWRRSA-N 446.595 0.642 30 10 ICEE Cn1ccnc1C1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1455152063 NAFAKXSGGYWUKC-UHFFFAOYSA-N 429.502 0.422 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 1472410784 GHZNFARDRZIERL-MRXNPFEDSA-N 437.518 0.652 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507542204 OKJGOCQQUNVVLH-INIZCTEOSA-N 448.531 0.861 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507552426 OOBFFDVYOBZKNT-UHFFFAOYSA-N 441.536 0.245 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2cnnn2)CC1 1507738722 WPRCZXYELZZLNF-UHFFFAOYSA-N 434.508 0.691 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1509948607 AZYOYVLUFVHEIC-HUUCEWRRSA-N 426.543 0.654 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1511977361 MQIRJDXBRQQGBO-ZACIOGPDSA-N 429.481 0.323 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)n(C)c1=O 1539013904 KSIUCLGKMCWPDK-PBHICJAKSA-N 448.549 0.124 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H]1c1cnn(C)c1 1539378989 IHGQIEWKGAJPKR-MTQWCTHYSA-N 440.479 0.458 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCC2)CC1 1539466598 DCDZWKWFXBJGEL-UHFFFAOYSA-N 429.569 0.868 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NC)CC1 1540867276 QCGUSEARPUSYTA-UHFFFAOYSA-N 440.504 0.981 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1540876422 QSBIPGUCCWJNLP-ZHALLVOQSA-N 448.568 0.840 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1541033253 VRLQXMNKZHCDMQ-GOSISDBHSA-N 445.549 0.861 30 10 ICEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1587957559 GXWIULZQHOLWQT-UHFFFAOYSA-N 432.502 0.725 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588074072 IGWWBLCZSYHJRK-QGZVFWFLSA-N 431.518 0.589 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C 1588672965 JGLQTEYMJVLKEH-MGPUTAFESA-N 433.534 0.896 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589069345 KDFPUFRTJYCFSE-INIZCTEOSA-N 434.566 0.322 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1589544640 JNFMGZFSDDTQBA-INMHGKMJSA-N 425.555 0.734 30 10 ICEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)cc1 1595607263 CLOPGKUMYUXWPR-HNNXBMFYSA-N 448.549 0.780 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1638202139 DTDNHRGNUABQLH-GUYCJALGSA-N 425.532 0.651 30 10 ICEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654888904 LDXQROAEOSTWQL-DEYYWGMASA-N 440.547 0.134 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1690104453 XCIYYRIJFVGXHS-GOSISDBHSA-N 433.534 0.745 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2snnc2C)CC1 1690143813 CMFTYYYTEDWYSQ-AWEZNQCLSA-N 428.522 0.403 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1696676026 GBKZZGVNVKSILT-FQEVSTJZSA-N 439.501 0.793 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705907224 DVYPBFATTXQVIY-GCKMJXCFSA-N 432.525 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1705932277 AGEZLMCZVFJYEV-HXUWFJFHSA-N 447.517 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1705934096 BDDRDKQVHQWSII-INIZCTEOSA-N 438.554 0.277 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706611313 GUFBYMAJLJFUOU-DNVCBOLYSA-N 437.570 0.970 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722317191 DAHUBXHTXGQFQQ-UHFFFAOYSA-N 427.509 0.725 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722362287 SJUXNAZACURBKO-INIZCTEOSA-N 428.518 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(C)C)C1 1722730606 XFRHFEFIAMBNMO-INIZCTEOSA-N 425.555 0.863 30 10 ICEE CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1722850584 HTCMRJFNLCGQLG-CQSZACIVSA-N 433.538 0.923 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@]2(CCOC2)O1 1726666193 HDMMXXMASBDADF-MGPUTAFESA-N 446.533 0.750 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1728777718 BERNUAVYQHSVFT-RTBURBONSA-N 439.538 0.220 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740623035 NFNQQFQZRZVGKJ-DLBZAZTESA-N 431.518 0.691 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740992727 MLZREIJWADTBBK-FQEVSTJZSA-N 446.533 0.896 30 10 ICEE CC(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741035237 ZMNFTEIACSSUNH-CZIZESTLSA-N 438.492 0.858 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1741710209 AGWDKMLQUTXVMM-UHFFFAOYSA-N 431.522 0.423 30 10 ICEE CC[C@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743780547 RPCYQPSTVDRJQP-VXAPJYQHSA-N 429.525 0.839 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1748801537 CKHVVAWWFXFHAA-HNNXBMFYSA-N 448.549 0.950 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749457042 FECGURFSXNLNDT-DLBZAZTESA-N 437.566 0.974 30 10 ICEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750094511 GNVWCMQLMKKYLX-QGZVFWFLSA-N 440.508 0.765 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2ccnc2C)CC1 1760253352 DPAXMLVUXVLWAI-INIZCTEOSA-N 434.570 0.239 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1761467487 ZJEMXFSPBARCKX-VLIAUNLRSA-N 445.549 0.875 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(C)(=O)=O 1770044710 QIWBFIYTDWIFDT-GOEBONIOSA-N 426.543 0.223 30 10 ICEE CC(=O)N[C@@H]1[C@H](ON=C2C(=O)N(CCC(C)C)c3ccc(C)cc32)O[C@H](CO)[C@@H](O)[C@H]1O 254735638 ONWZAILBZBASBJ-UCMHIRGCSA-N 449.504 0.052 30 10 ICEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCOc2ccc(C#N)cc2)c1 474098572 PQJMZGRIQFUMQQ-UHFFFAOYSA-N 430.486 0.734 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC)CC1 549417747 DIWYUSBFZCLXPY-UHFFFAOYSA-N 436.520 0.636 30 10 ICEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611371709 FPWIBWFQPVGMCY-PGRDOPGGSA-N 437.548 0.808 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cn1 732563431 ZCEXZOMFZTUOQP-UHFFFAOYSA-N 430.493 0.769 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 811789297 XJNCEIVPMSBIKQ-LJQANCHMSA-N 434.522 0.097 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCN1CCOCC1 917354198 IRYPLPFTHYMIPX-UHFFFAOYSA-N 445.888 0.830 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@H]32)CC1 1175515331 XOIQJMPCGCEZEI-DJIMGWMZSA-N 438.347 0.947 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286779200 FWKYXVZFRDBILO-KBXCAEBGSA-N 440.504 0.979 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286787795 JPBMJRBUXCPOQM-BHIYHBOVSA-N 445.568 0.073 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1286948757 WEATYODWOMHRLW-QBNCKDSPSA-N 445.524 0.344 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1291241587 QJMCCPWYUFYQKD-GPNFDMASSA-N 429.481 0.369 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300983699 NCDCXYXPPXYSGU-INIZCTEOSA-N 428.497 0.744 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1301040039 BHOWJHTXRJQXQD-HNNXBMFYSA-N 445.973 0.912 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CCN1C1CC1 1316539968 IRUMSUPOOFZKBL-ZFWWWQNUSA-N 444.508 0.638 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cc[nH]n2)CC1 1359037229 AHNYXJPKVXWBPW-UHFFFAOYSA-N 439.549 0.542 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1359132802 FUJNALGYHVXARU-OAHLLOKOSA-N 426.543 0.234 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1445036169 VAZTZFWUXHPMEK-INIZCTEOSA-N 440.522 0.955 30 10 ICEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc(C#N)n1 1469920527 IWKKFGBPXDCSEN-MFKMUULPSA-N 430.387 0.530 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)CC1 1507722123 PSPRSOWINZXNRH-BEFAXECRSA-N 436.538 0.144 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC=C)CC1 1507736172 GPPSYLXOICYDNF-UHFFFAOYSA-N 442.545 0.907 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507753844 JBLUBFMNJKJLFN-UONOGXRCSA-N 426.568 0.066 30 10 ICEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1508813326 DSDACGWXKHZTAK-UHFFFAOYSA-N 433.538 0.574 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1509682858 DSGMZCAEBVNHGS-INIZCTEOSA-N 440.508 0.502 30 10 ICEE CCc1nnc(N2CCC(N3CCCC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513864512 HGLZAINHQPRZBK-VXPUYCOJSA-N 427.509 0.958 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC)CC1 1539434376 KBUQPYPQPAWOKR-UHFFFAOYSA-N 430.534 0.240 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2COCCO2)CC1 1539489023 FQHXBUZVAQMLSD-FHWLQOOXSA-N 447.536 0.383 30 10 ICEE C=CC1(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1539865804 TZLJNYYTRKRKQJ-UHFFFAOYSA-N 436.553 0.803 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1588199419 NZACETYAXWTYFU-JKSUJKDBSA-N 428.555 0.682 30 10 ICEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594651346 IYTQOTNEUQTYCI-KRWDZBQOSA-N 426.525 0.643 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595562027 LRPAVRMGMFIPNS-QFIPXVFZSA-N 425.537 0.867 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)CCOC1 1696100187 ZPFSIHXSINOIHU-CNNODRBYSA-N 448.568 0.896 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705661972 MJJCIHFELHUMRW-PMPSAXMXSA-N 443.595 0.185 30 10 ICEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705799887 JBPYFGDNBLODQJ-HUUCEWRRSA-N 425.559 0.801 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705829589 WMTGMRPSCLLJRE-ZWKOTPCHSA-N 445.568 0.565 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)=O)CC1 1705928903 WWLVABDYKMZKGE-UHFFFAOYSA-N 426.543 0.076 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)CC1 1722437985 RLQUBIZXNZVLLH-UWJYYQICSA-N 435.594 0.877 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1722672164 LLUSDEIFVDIVHH-CQSZACIVSA-N 439.567 0.998 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1722702828 RRMHHEXNAFKOBZ-UHFFFAOYSA-N 431.541 0.588 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1740692471 LCGYHORQMBDMEO-HSZRJFAPSA-N 440.548 0.741 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccco2)CC1 1740700955 OQIZNSCEBWTIAT-JOCHJYFZSA-N 442.520 0.883 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1740900089 LSYSJYHHECCICD-LBPRGKRZSA-N 427.556 0.695 30 10 ICEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1749255264 PVTVBEVDSBKUNT-UHFFFAOYSA-N 426.477 0.549 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CC1 1750953932 HGEGGALXURIQHY-HKBQPEDESA-N 443.533 0.862 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760514721 LOHAURVTVPGGKX-MRXNPFEDSA-N 431.541 0.559 30 10 ICEE NS(=O)(=O)c1cccc(N2C[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)c1 1772789841 FMTZWJQBCSVMPH-LLVKDONJSA-N 429.410 0.441 30 10 ICEE CC#CC[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 2213504722 FZNPMYFMKLKFLD-FZKCQIBNSA-N 441.525 0.750 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243675948 CKGAIQWUOSBXLF-GFCCVEGCSA-N 427.332 0.944 30 10 ICEE Cc1c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834864 QPRNMKKKXPOJQP-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12 169679591 FYZHXOSWIJYSNR-FPOVZHCZSA-N 428.533 0.519 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 532901880 QATDENUKPOGTQL-UHFFFAOYSA-N 426.502 0.312 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2CCCSC)CC1 727416662 WQESFAYWRPDEKD-UHFFFAOYSA-N 446.598 0.923 30 10 ICEE C=C(COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 734022868 LRBLJPDRTXDLKA-CYBMUJFWSA-N 436.280 0.751 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CC1 734267296 DIZAFAFWHWTFKF-QGZVFWFLSA-N 432.447 0.190 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 770650974 HCXLXNZEFHJQBN-VIFPVBQESA-N 431.966 0.616 30 10 ICEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 807577579 CFQKOJKTKFUYCX-SJLPKXTDSA-N 449.529 0.637 30 10 ICEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1132668611 YDASWGSNHQZQSA-AWEZNQCLSA-N 435.458 0.539 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1OC 1286297079 USNPHHFSUNNMPL-YVSFHVDLSA-N 441.554 0.120 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)C1=O 1300258140 ZKHNTTPTZJPLPH-UHFFFAOYSA-N 448.501 0.419 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nnn(C)n2)c1 1300334243 JCKLVMVVOWUKSZ-INIZCTEOSA-N 435.492 0.800 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1301502879 RLPBUKHSNAOKIX-UHFFFAOYSA-N 438.540 0.933 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1303331919 SBMUGYUMKOPMFK-UHFFFAOYSA-N 433.538 0.864 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1303638779 BWRNKKMLOOXSNF-IAGOWNOFSA-N 439.586 0.835 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1358960871 NFJBMBWRIHPNBH-QGZVFWFLSA-N 444.561 0.969 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1358963993 RAMLSZJVYSGLTM-SJORKVTESA-N 431.518 0.861 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(CC)(CC)OC)CC1 1359028685 AKCNQYSAPIPJTG-INIZCTEOSA-N 426.587 0.849 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1359300938 NFLMHSAIZPZVMC-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359332023 MSSRZHUINWRZLH-CVEARBPZSA-N 438.554 0.183 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)C2)C1 1456026605 SXRLMDJUNFKUDC-KMFGOTIKSA-N 441.550 0.781 30 10 ICEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1502540785 LQSKWGXQUCRRHM-KRWDZBQOSA-N 437.504 0.779 30 10 ICEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503305551 NPEKKABQXVYKHB-LNVLOAEVSA-N 436.582 0.947 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1507623420 XEIOFVRRBOQESP-HNNXBMFYSA-N 425.580 0.894 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1507654138 WLIFPRCMEUBEKI-DLBZAZTESA-N 435.550 0.499 30 10 ICEE C=CCCOCCn1c(C2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507962021 KXQWGKBCYTWOCW-UHFFFAOYSA-N 430.513 0.215 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508091059 RFHNZLXPNJYHGJ-HOTGVXAUSA-N 440.570 0.240 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539467766 YZOQPYSZEDUPOR-YWZLYKJASA-N 437.566 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540902809 QZPKWSVPQHCJCN-DOTOQJQBSA-N 425.555 0.830 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1552888544 VYJZXZSXKRGRMQ-ZDUSSCGKSA-N 440.476 0.767 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1554327668 LVODBTAASVGMHN-LBPRGKRZSA-N 443.327 0.819 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)CCO1 1555994200 GGWWIWFDPOGRPG-INIZCTEOSA-N 434.497 0.772 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(OC)ccc2Br)CC1 1563696241 WMYLTMHMEHLNAE-UHFFFAOYSA-N 445.339 0.753 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)N(C)C)CC1 1588743263 YXQPRRCOFZCPPP-ZWKOTPCHSA-N 439.630 0.620 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588812474 RSAFAQHOMKTBDH-QGZVFWFLSA-N 446.552 0.831 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1595602466 KVVZQYUGEUCIOK-NVXWUHKLSA-N 431.541 0.221 30 10 ICEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1596795097 QPQVDZQZKCZINH-OAHLLOKOSA-N 426.491 0.954 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1611710760 DYIMJJWUFDTNLV-RIFZZMRRSA-N 448.549 0.915 30 10 ICEE COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1619551105 DWRMJRDGPFQIJX-UHFFFAOYSA-N 427.465 0.208 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC(C)(C)C 1624097317 HKWQARXEVURVTL-UHFFFAOYSA-N 440.522 0.995 30 10 ICEE CO[C@H]1CCn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2C1 1625121558 XHLBZYJBUIWLJG-INIZCTEOSA-N 429.502 0.863 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1637512778 FQJIXHYLMCTWLH-LHSJRXKWSA-N 445.476 0.477 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CO)(NCC2CC2)CC1 1654683398 CUIJRYWBXXKPDT-UHFFFAOYSA-N 434.562 0.858 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705566945 RZVDOFHXKGKZBB-SJLPKXTDSA-N 447.565 0.026 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)NC)CC1 1705636240 CMHMLGZQTWXOOF-UHFFFAOYSA-N 448.549 0.267 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705890930 QFAQKJYSZWMICD-APWZRJJASA-N 440.570 0.098 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705894349 WBKMMFAOXRCENZ-QGZVFWFLSA-N 441.540 0.866 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705905096 JQWURGSHHVRTGG-HKUYNNGSSA-N 425.537 0.723 30 10 ICEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)C2 1706964073 ATSVVSFWEISCBV-LJQANCHMSA-N 445.505 0.397 30 10 ICEE CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710905444 MGAUCLKZYBSUTR-HKBQPEDESA-N 444.565 0.778 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1722365904 FVQBWXQKQCXYLH-ABSDTBQOSA-N 437.566 0.213 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)CC1 1722437687 OZWGTPJTKHUUBN-LJQANCHMSA-N 429.546 0.476 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)COCCO1 1723927588 UGUIUPZDJFXRFC-KBXCAEBGSA-N 426.543 0.824 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1731183667 UXVIPAVMYIMXAP-UGSOOPFHSA-N 436.469 0.532 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749669802 KSVIKFYNRSPYPK-SFHVURJKSA-N 445.568 0.566 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760114312 KMGRJBZIRMDPPV-QAETUUGQSA-N 434.566 0.891 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760145359 NOTAOPNGNPUYJW-HNNXBMFYSA-N 439.586 0.932 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760526278 JSIIKZSJFDYFBM-MRXNPFEDSA-N 425.493 0.682 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)CC1 1770743879 CGKPCHYEFUJFAJ-QGZVFWFLSA-N 436.582 0.767 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(F)c(Cl)c3)C(=O)C2)C1 1856835237 NAGILKYZHAWECX-CYBMUJFWSA-N 428.873 0.691 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)cc1O 1865729629 RHGBRCPDANQYMT-OAHLLOKOSA-N 440.456 0.390 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)CC1 1889363609 SLQZCLLJCZTEMI-FQEVSTJZSA-N 446.592 0.272 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267215326 CLAAGMKOVNNQSZ-HUUCEWRRSA-N 448.329 0.876 30 10 ICEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267270363 LBHLJRXGFRSARA-GOSISDBHSA-N 437.353 0.980 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@H]2CCO[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 2286039709 JHCBYFIYBUYKFO-GJYPPUQNSA-N 437.474 0.399 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)c1 30659123 RAWSSDUBTGOQFU-UHFFFAOYSA-N 441.517 0.859 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cc(F)cc(F)c1 72443907 AKKALIASYOTKSF-KBPBESRZSA-N 428.399 0.974 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)o1 480932336 HWAWEOCEUMFULQ-OAHLLOKOSA-N 431.514 0.856 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 509012666 QWUXQFIXMQASBS-JTDSTZFVSA-N 441.554 0.571 30 10 ICEE Cc1nc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 544866449 RKSNTSGMBBMMJF-UHFFFAOYSA-N 432.370 0.942 30 10 ICEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccnc(OC(F)F)c3)n2)cc1 585761871 WAJMHSTXVHSKGX-UHFFFAOYSA-N 427.371 1.449 30 10 ICEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 619840574 RNIYRAAGCMZMBP-RHSMWYFYSA-N 430.506 0.480 30 10 ICEE C#CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H]1CCS(=O)(=O)C1 746151460 IRSHOWXMVLBOEX-MAUKXSAKSA-N 444.513 0.185 30 10 ICEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)CC2 758525208 JWNVXRNLASZCAY-AAEUAGOBSA-N 444.435 0.875 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 779173262 DKMCFTZAGQLLDI-UHFFFAOYSA-N 436.534 0.601 30 10 ICEE O=C(N1C[C@@H](O)CC(F)(F)C1)C(F)(F)C(F)(F)C(=O)N1C[C@@H](O)CC(F)(F)C1 787828273 IVBRHWJWJAPCMW-YUMQZZPRSA-N 428.276 0.714 30 10 ICEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cn1 793467006 DDFSFORRHGUIEN-UHFFFAOYSA-N 433.493 0.694 30 10 ICEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 858004481 ASLMGQBMNUQWBD-NKSUMMKUSA-N 440.456 0.984 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1=O 919943633 MPMNAXSIZZMGAF-KRWDZBQOSA-N 440.504 0.555 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC1 1211330933 IIUDLHUYZACPBN-SFHVURJKSA-N 433.534 0.145 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286389936 TVPCHYSGHPNKDH-IRXDYDNUSA-N 434.522 0.111 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1286547301 OBXJWRXFYHWCMY-AEFFLSMTSA-N 434.541 0.693 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1286789551 FLUFFKAQLLFJLL-UHFFFAOYSA-N 439.524 0.128 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)CC1 1300700789 WPUPICSSHHLVSA-MRXNPFEDSA-N 442.611 0.119 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)CC1 1300723524 VLYADQMKHSHBQL-SFHVURJKSA-N 449.515 0.342 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1301479278 YDLHLVMUFZLZPI-UHFFFAOYSA-N 440.508 0.675 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cc1 1301656548 FSUYTGJTHZTURZ-HXUWFJFHSA-N 437.475 0.949 30 10 ICEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316031460 RJDZEQJPDSLIOK-LJQANCHMSA-N 427.557 0.823 30 10 ICEE CN(C)C1CCN(C(=O)Cc2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CC1 1320972083 OCVZIKQEZPUAJG-UHFFFAOYSA-N 432.506 0.403 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359045057 VNSSOPKMGQHMCE-WBVHZDCISA-N 435.550 0.183 30 10 ICEE C=CC1(CC(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CN(C(=O)OC(C)(C)C)C1 1456429753 GAXQDURTJHWOFS-CQSZACIVSA-N 433.509 0.994 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1470544520 LBWRWQNRCXRQNU-HOTGVXAUSA-N 443.570 0.475 30 10 ICEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)c1 1472625051 HGKCBHQTKUKIQS-DKICVRJWSA-N 430.486 0.597 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN(CC)S(C)(=O)=O 1507659421 VPUJTEYHAZHTGD-UHFFFAOYSA-N 434.566 0.649 30 10 ICEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1507690862 YCRMQNLNMMSBKA-UHFFFAOYSA-N 446.581 0.803 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539210115 AUBMIJZTMDUCBD-MSOLQXFVSA-N 446.577 0.631 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539220034 GYNUMOHMNNPMID-WOCWXWTJSA-N 438.550 0.339 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1539267153 WWJVTALMXCSTKM-QZTJIDSGSA-N 434.566 0.168 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1540965540 DQOHVQFNFUBDNT-OAHLLOKOSA-N 432.506 0.752 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1585654117 QOZPAMGJSUBODL-FQEVSTJZSA-N 436.534 0.584 30 10 ICEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)OCC 1589372232 WICUHNCEUQCAEA-HNNXBMFYSA-N 432.520 0.383 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1595550289 BVVAEKSCYILRTB-MRXNPFEDSA-N 445.549 0.204 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1613594150 CJKOSMUTJGELCU-AEFFLSMTSA-N 433.557 0.894 30 10 ICEE COCCNC(=O)CN1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1636581672 LJFFOFCOCBZBFF-UHFFFAOYSA-N 442.564 0.612 30 10 ICEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1645991477 PTYACSVPXZSZFO-RIFZZMRRSA-N 449.554 0.997 30 10 ICEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1655770912 SMNDQVNDBYKSLY-TXPKVOOTSA-N 433.559 0.327 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 1690595240 RREXUYBQZPADQG-HNNXBMFYSA-N 444.579 0.298 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1690723957 FCOYCLQBNWDCIP-ZDUSSCGKSA-N 445.592 0.874 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1705551433 NKMOBYCVUZOROO-IKGGRYGDSA-N 425.555 0.742 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)CC1 1722438494 YHJMTYXECTZIQH-SFHVURJKSA-N 431.566 0.531 30 10 ICEE C#CCCCCn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740577105 ROZPPZJIDAJFSR-UHFFFAOYSA-N 426.525 0.501 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740689098 OPCSMAQCHFJNRC-KRWDZBQOSA-N 434.566 0.237 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740990558 CBUPVHWLIORNCE-YZVOILCLSA-N 439.538 0.214 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748143592 FXSUMYQNIDTIRS-RURFIKTLSA-N 429.525 0.965 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1748699828 STKJRSBAVSGXJO-INIZCTEOSA-N 432.554 0.808 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1748860716 ZMXMKXAFYZHHEW-WIYYLYMNSA-N 442.497 0.413 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749187473 MTKANEDCABICIH-CVEARBPZSA-N 438.554 0.436 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(=O)N(C)C)c1 1760127129 RDVMEAYDZYXRPV-UHFFFAOYSA-N 439.520 0.951 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1760272457 KVRKBBWSZVVQGE-UHFFFAOYSA-N 426.550 0.997 30 10 ICEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1763268579 FZIZOJAWGDJPNH-OPAMFIHVSA-N 440.504 0.652 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1767827437 GBGVMWIDFRPQHI-UHFFFAOYSA-N 432.435 0.659 30 10 ICEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1769660352 CLXJYYWCWMTLOA-RVKKMQEKSA-N 444.533 0.724 30 10 ICEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CN3CCC(F)(F)CC3)C(=O)O2)CC1 1856672072 QMAQTEPRTMUYGR-CQSZACIVSA-N 434.465 0.630 30 10 ICEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1CN2CCN1CC2 1856928234 QUKYPDPCKDKLHY-SFHVURJKSA-N 431.518 0.026 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 1858301531 VXFWFFSFEDATLI-OAHLLOKOSA-N 438.465 0.734 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)N2CCC(COc3ncccc3C#N)CC2)n(C)c1=O 1891336096 QSHVMAKYEQYMEJ-UHFFFAOYSA-N 437.460 0.018 30 10 ICEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)nc1B1OC(C)(C)C(C)(C)O1 2255655005 GRSFKFMKIOPRSI-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)n1 2255657962 WYDFEIMTLIUJDP-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=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 428002383 WYMCBNCGPPJSBY-WXGYIIEBSA-N 427.526 0.850 30 10 ICEE CCOC(=O)C1(O)CCN(c2ccc(C#N)c(N3CCC(O)(C(=O)OCC)CC3)n2)CC1 436381023 GSEFSDSDMRLLKD-UHFFFAOYSA-N 446.504 0.742 30 10 ICEE COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2)c1=O 501761218 BWGBFAISLYETQY-UHFFFAOYSA-N 425.510 0.988 30 10 ICEE CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506640705 BAYDQUZTPAIMHM-IEBWSBKVSA-N 429.569 0.850 30 10 ICEE N#CCNC(=O)CNC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 511904176 DUTNRZYYXIDGPW-UHFFFAOYSA-N 426.399 0.611 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 590913946 DJBFVOBVAAJKBM-GDBMZVCRSA-N 445.516 0.882 30 10 ICEE CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 609642686 SXMUJWTVHSQWIW-INIZCTEOSA-N 443.533 0.743 30 10 ICEE C#CCN(C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 729330746 DMOAKQGKZBDTKX-KRWDZBQOSA-N 426.560 0.929 30 10 ICEE C#CCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)[C@H]1CCS(=O)(=O)C1 747367849 HJIJFZCZDPPJLI-LBPRGKRZSA-N 449.348 0.667 30 10 ICEE C#CCN(C(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 775765584 LOQFREHQTYJYMH-OAHLLOKOSA-N 436.490 0.837 30 10 ICEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 795469102 YGPTWFGLVDYGGK-KGLIPLIRSA-N 447.922 0.628 30 10 ICEE C#CCCS(=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 810785909 TYNSYQQHECXELP-QMROVXIMSA-N 438.505 0.935 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](CN3CCOCC3)C2)s1 1169001607 FAXYCGBGHJSYIT-OAHLLOKOSA-N 429.564 0.315 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286504895 SBGWRPVZLLXCEO-KGLIPLIRSA-N 431.522 0.068 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1286819911 ZHWAKAVVMLJLKG-CYBMUJFWSA-N 432.497 0.217 30 10 ICEE CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1296951381 BTFPWEXNIXYYRY-AMNYIGESSA-N 430.506 0.260 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1298541641 KXLIAIDFZRBHBE-OIISXLGYSA-N 425.507 0.430 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CC2)CC1 1300725896 LIJCCZQCALXJCU-HRAATJIYSA-N 449.577 0.307 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccn(C)n2)CC1 1301125144 MMQSNOWPZLQKOU-SFHVURJKSA-N 449.581 0.990 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1301500109 JGTNYXNKUQXIRX-OAHLLOKOSA-N 438.554 0.294 30 10 ICEE C#CCN(C(=O)NCC1CN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1312561219 GKTDBQQABGNRIO-UHFFFAOYSA-N 428.555 0.922 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1358948774 LCTUWNZOFUVCMV-MRXNPFEDSA-N 425.555 0.766 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358957669 YCAPBGCVOCOKNJ-NVXWUHKLSA-N 437.522 0.974 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960784 LSRUKGDGUZQBQC-DLBZAZTESA-N 429.550 0.846 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1)C1CC1 1359251314 ILYNEQRNLIBUAB-QGZVFWFLSA-N 435.554 0.971 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359297918 GYNABHMQKKPWCY-FQEVSTJZSA-N 425.497 0.466 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(C)=O)C1 1359334051 RMWWMAXUBQNMHO-SFHVURJKSA-N 432.550 0.970 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1436289820 KVOYYNRBPWTCMV-DLBZAZTESA-N 430.486 0.799 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCNS(=O)(=O)CC)CC1 1507723366 FWSXTQUFLLQYLX-UHFFFAOYSA-N 431.566 0.733 30 10 ICEE O=C1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1521472689 WACJKIPCVFWGBW-STGLLQLASA-N 429.481 0.025 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539222597 WUTWROZCOQETDX-HLIPFELVSA-N 438.550 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831845 XUOAKIJRNCZJSD-BEFAXECRSA-N 441.554 0.231 30 10 ICEE C#CC[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 1629612932 PDMQQNFQVZNSDT-SFHVURJKSA-N 449.529 0.289 30 10 ICEE COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632649354 FKZDWUBXZAKXNC-UHFFFAOYSA-N 427.454 0.070 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(CC(F)F)C3)CC2)cc1 1636266719 HLOGLPZASJKHQK-OAHLLOKOSA-N 427.477 0.914 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CNS(C)(=O)=O)CC2)s1 1636331346 BFTYDAZGCFIFSY-UHFFFAOYSA-N 435.593 0.543 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1636479728 DZDWNRIEMSADSQ-MRXNPFEDSA-N 428.555 0.635 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1636664313 GWVCYHGOBPZPNW-FOIQADDNSA-N 426.535 0.645 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1 1646511854 FOEQNZBZFHGFGD-UHFFFAOYSA-N 425.463 0.315 30 10 ICEE CNC(=O)CN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1652307070 UEMBAVOHQHQOKR-QGZVFWFLSA-N 426.477 0.044 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](COC)OC)c1 1689870344 KVMJNPVDRGYTKW-ZWKOTPCHSA-N 440.504 0.947 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1690175499 YPFVTXYKLWYPBM-MRXNPFEDSA-N 447.590 0.663 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1698317044 HMKXWBKRRSHIPQ-CQSZACIVSA-N 434.478 0.342 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1705805887 QXQSOFBJGXTHFY-HZPDHXFCSA-N 440.570 0.634 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1)C1CC1 1705854848 PIJYLQHMUMVILL-MAUKXSAKSA-N 443.595 0.634 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706074902 GPGNTHVUIMXAKF-SOUVJXGZSA-N 444.583 0.200 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1722296732 UQPZBKNBTQMDOH-DOTOQJQBSA-N 435.554 0.664 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722362814 WNHWCLCDUUQXSO-HOTGVXAUSA-N 432.506 0.167 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1731002773 IOMGUSQJCQRPQU-DNZUHHBVSA-N 434.522 0.380 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1740617710 VUICOYBMWAODNU-HZPDHXFCSA-N 443.595 0.871 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740947326 XJLUEEGEOVGHNQ-AWEZNQCLSA-N 431.584 0.664 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740964114 IHOWFFIWSFSOSF-OAHLLOKOSA-N 429.456 0.512 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1741000925 IAMJRGORVUVGGW-XOBRGWDASA-N 447.565 0.963 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1749730941 WKKHGJJBDVQKJN-UHFFFAOYSA-N 448.549 0.544 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760515481 VCKGDZYMAFYFPQ-QGZVFWFLSA-N 445.568 0.949 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@@H]3CCCCN3C(=O)[C@@H](O)CO)nc2)OC1(C)C 204888804 YLHLNFXUZJZIFN-IRXDYDNUSA-N 435.330 0.669 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cc1 514306915 OMEDTWRPVSEDGM-SFHVURJKSA-N 441.553 0.917 30 10 ICEE C=CCn1c(Cc2noc(-c3cccc(S(=O)(=O)NC)c3)n2)nnc1N1CCOCC1 544296939 ACGPHGDQSTXDRJ-UHFFFAOYSA-N 445.505 0.850 30 10 ICEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574144785 ODCHIXWZQLHWRJ-ROUUACIJSA-N 433.534 0.725 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 619228350 NROPGASWAZEUDZ-UHFFFAOYSA-N 447.542 0.998 30 10 ICEE CC(C)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN(C)C 759901183 BWXDIOXLETZQKZ-INIZCTEOSA-N 437.566 0.324 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 761038787 YYJBGJUPLWAENH-UHFFFAOYSA-N 449.558 0.842 30 10 ICEE C#CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 779084798 ATBMWXTWFCKTNA-AWEZNQCLSA-N 429.495 0.921 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CC2(C#N)CC2)CC1 815044684 HRRCTEVVUMJTMT-UHFFFAOYSA-N 425.532 0.925 30 10 ICEE NC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(F)cc1 920272159 VPBFKSQFJAYGEK-CQSZACIVSA-N 432.477 0.715 30 10 ICEE C[C@H]1CN(C(=O)c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1136386446 FOIQZWCFTGYRCX-GASCZTMLSA-N 439.472 0.776 30 10 ICEE CCN1CCN(C2CN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1156886096 TVOOURVXQSMGHG-LJQANCHMSA-N 447.605 0.988 30 10 ICEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286326879 FYTZTCMGDOBMNS-UHFFFAOYSA-N 434.508 0.403 30 10 ICEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286343232 HLDVUTCCGDFVKC-UHFFFAOYSA-N 439.520 0.204 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1286467989 XYOYHPUCBAUIDN-ZWKOTPCHSA-N 439.582 0.235 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286786675 WQFOMECXZXNRRI-AWEZNQCLSA-N 446.581 0.535 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300410226 MDQONVHXFJYQLL-OAHLLOKOSA-N 443.595 0.454 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300488910 WZHHXCOWGWAMCJ-IRXDYDNUSA-N 431.518 0.772 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1300509187 HIKWXZNYZSUZEI-HNNXBMFYSA-N 438.554 0.876 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1302241745 BTKKYQBRLYAWQD-XSWJXKHESA-N 427.527 0.148 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1359004566 BKSPSVMAQUNLOK-UHFFFAOYSA-N 426.506 0.958 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)F)CC1 1359043123 HVIKRFYEOFIKER-UHFFFAOYSA-N 431.447 0.687 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)CC)CC1 1359043250 NIKQAPDAFRGKGB-UHFFFAOYSA-N 447.565 0.189 30 10 ICEE COC(=O)C1=NO[C@@]2(CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)C1 1460652553 KAWIXFQCNBSQNH-UGKGYDQZSA-N 443.479 0.928 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)CC1 1471450642 FXBJGBBNCPWRKR-GOSISDBHSA-N 448.545 0.302 30 10 ICEE CN(Cc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1503492690 GIMZEYJOVMAOHB-HMWBCQRISA-N 425.449 0.985 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1505139119 HFYFUKABRLXRQO-UHFFFAOYSA-N 446.533 0.772 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630738 GPPRDNMAVOONRF-MJGOQNOKSA-N 444.561 0.688 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1507654115 VZJPBGLMZRQVMT-PXNSSMCTSA-N 435.550 0.499 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1507713386 IDWVGIRIWDXIAC-UHFFFAOYSA-N 438.575 0.956 30 10 ICEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1507752525 AALGWBYOZMSAGT-UHFFFAOYSA-N 444.609 0.764 30 10 ICEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1519012446 FSKFXENRGKPPSY-GOSISDBHSA-N 437.504 0.780 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C2CCC2)CCO1 1521121668 NJVWPNZCLZLNSS-INIZCTEOSA-N 438.492 0.961 30 10 ICEE N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1Cl 1533797127 IMUDVKXNFMQVOP-UHFFFAOYSA-N 434.909 0.883 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1539266361 OXSXPKLXCZNUSP-SFHVURJKSA-N 445.549 0.348 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)OC)CC1 1539482318 SIEVSZIVGRWVMI-IRXDYDNUSA-N 437.566 0.571 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626857 GTRLQVAEKOMFKF-HLIPFELVSA-N 445.568 0.421 30 10 ICEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554225897 FDYOVNGWXAZMNI-TUPYQCFKSA-N 443.508 0.761 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1568701181 HVXGEQCQMXBVDY-UHFFFAOYSA-N 444.248 0.520 30 10 ICEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1586620756 BIUNIQJIAGFLMC-OLZOCXBDSA-N 425.935 0.799 30 10 ICEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(C)(=O)=O 1588386596 QJMIGEDVYYMYTQ-UHFFFAOYSA-N 446.581 0.851 30 10 ICEE C[C@@H](CC(=O)NC[C@H](O)C(=O)OCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1588481784 MVQHAUJFLNVTRJ-YOEHRIQHSA-N 445.497 0.724 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1595537702 WQBGSYUVFVGADA-UHFFFAOYSA-N 443.508 0.755 30 10 ICEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 1631331384 XFHNDMOSHGVNKC-UHOSZYNNSA-N 430.530 0.631 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)s1 1648069399 KMHFMOOJLXEAIC-UHFFFAOYSA-N 448.588 0.561 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1654718228 ZJYFHEIWOPRPHL-UHFFFAOYSA-N 429.289 0.566 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1665719207 HEPAXLCUZMEHJQ-FQEVSTJZSA-N 449.577 0.163 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689988581 RXLLGJVYVLPKGH-QFBILLFUSA-N 434.522 0.111 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1690609053 ASDGCSGIFKWLSC-UHFFFAOYSA-N 433.557 0.317 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705631515 HWQXFOZBSFBKIN-FQEVSTJZSA-N 443.596 0.626 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1712880745 GIXBUICMUXINRZ-OAHLLOKOSA-N 435.531 0.486 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722333520 WWFOHRXHPGCUKK-GJZGRUSLSA-N 429.568 0.064 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722698225 WKAABWBAAIOSJV-UHFFFAOYSA-N 447.503 0.463 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2nnn(C)n2)c1 1740561870 JSTUCLCQKVXQGR-UHFFFAOYSA-N 428.460 0.968 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740956056 KXIOWMXIGXWSGC-UHFFFAOYSA-N 438.536 0.387 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1748905237 AKUSVHLSUSEWFP-INIZCTEOSA-N 426.587 0.583 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749651141 OJKAMGWUYZUVSQ-CQSZACIVSA-N 447.521 0.241 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CCO1 1750388985 UWTBTQUIZKNOGC-ZWKOTPCHSA-N 431.541 0.366 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760262369 NBYDVTOVUUDIPR-JOCHJYFZSA-N 443.573 0.482 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760546382 NPYRTGNLUHHTEF-YLJYHZDGSA-N 433.534 0.595 30 10 ICEE C#CC[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 2210482784 SZCAMMZOXPEADM-YJNKXOJESA-N 427.498 0.360 30 10 ICEE Cc1c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630908 QPRNMKKKXPOJQP-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE Cn1nc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255838854 MOYGFHAMZPSXAI-UHFFFAOYSA-N 438.334 0.679 30 10 ICEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)CC1(C)OCCO1 2282835210 QRNCRNDKFGNZRW-GFCCVEGCSA-N 430.336 0.182 30 10 ICEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 684043879 LQQSMADVKHJUKH-UHFFFAOYSA-N 427.486 0.783 30 10 ICEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O 725768079 HUGPVSMISCXYRR-VGOFRKELSA-N 425.489 0.854 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 731860967 CNCSMRBIMZHRIK-MEUCICPISA-N 432.502 0.730 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1Cc1ccccc1 743727635 QAGSNBIJLVJVPQ-UHFFFAOYSA-N 449.536 0.606 30 10 ICEE Cc1cc(Br)c(O)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 781596734 MPBYSCMNZSEKNO-UHFFFAOYSA-N 431.268 0.173 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1 1147897563 IUUSAZMWSBIIJW-UHFFFAOYSA-N 431.461 0.910 30 10 ICEE N#Cc1ccnnc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1184720877 ZAKJCNQYAWKOOM-UHFFFAOYSA-N 434.865 0.843 30 10 ICEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1196429057 CLPSNVORCRBLSZ-CALCHBBNSA-N 435.546 0.883 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286393901 LNYGWQMFBUMHMK-OAHLLOKOSA-N 444.496 0.207 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)s1 1290269561 KFKAEDSVOKWFQR-UHFFFAOYSA-N 426.564 0.178 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301040086 BVWCISKSIIKIJS-QWHCGFSZSA-N 437.975 0.451 30 10 ICEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H]1OC 1302421295 ZZCVWOOMEAZUQL-NXHRZFHOSA-N 426.477 0.857 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1316102004 QNKYIGUQJCKVKT-JKSUJKDBSA-N 427.527 0.352 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1358890999 YEGLUFCUHNKNKP-PKOBYXMFSA-N 436.626 0.912 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358965727 AAQZOSFJGBXEFP-LSDHHAIUSA-N 427.502 0.012 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(=O)N(C)C)CC1 1359032619 VGZCKNUJJQVLOX-UHFFFAOYSA-N 448.535 0.544 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)COCCO2)CC1 1359040664 CZLVABPOCTVANS-JTSKRJEESA-N 449.552 0.773 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359049192 KEPMBYFMLJMOGB-QLFBSQMISA-N 431.584 0.495 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@H](c3cnn(C)c3)C[C@@H](C(=O)OC(C)(C)C)C2)CC1 1473728765 HLNYDEHYXSBDSG-RTBURBONSA-N 429.565 0.945 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1503621118 APHGDHSRWXXPJD-UHFFFAOYSA-N 447.565 0.964 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1507690020 ORJCIHDLEDYRQQ-HNNXBMFYSA-N 440.570 0.233 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1508144149 BZROJPYXWWDSTO-UHFFFAOYSA-N 427.571 0.763 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1COCCO1 1519285702 SDSQUUWOFCSSPN-WMLDXEAASA-N 444.492 0.952 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539216797 XHRQVMOMSZACFU-OAHLLOKOSA-N 429.568 0.110 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539413536 LYAFVIMPOBPIRG-SJORKVTESA-N 425.555 0.887 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540864961 QCZYJUMGGJFEAT-MRXNPFEDSA-N 440.464 0.712 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1540869073 ARVRWYKRZZZDAS-UHFFFAOYSA-N 429.481 0.413 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540877546 YXPUWWQAFQRYCF-GOSISDBHSA-N 439.520 0.857 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F 1541925649 GJHSJMLVOWIFON-LLVKDONJSA-N 433.485 0.400 30 10 ICEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OC 1556375694 PQTGELRPSCPCIN-ITGUVEJCSA-N 429.473 0.650 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 1558073668 WZUCETIGBWZTSW-UHFFFAOYSA-N 433.578 0.201 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588068851 ASGHKKUOKFMILR-GOSISDBHSA-N 448.593 0.513 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1595536933 JGFMIZFGOWHEBU-HOTGVXAUSA-N 429.525 0.274 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595562055 MKYUFWAXXFYSQK-GOSISDBHSA-N 439.520 0.394 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C1 1595674247 OFRCCEWGJVKKON-YESZJQIVSA-N 442.586 0.390 30 10 ICEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1620616236 UVAGUJALJLIADC-KRWDZBQOSA-N 434.537 0.106 30 10 ICEE C#CCC1(O)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 1655430485 AEIOSPLZGWZREL-UHFFFAOYSA-N 435.546 0.174 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689908040 UXQQNXAXHVPLGT-QGZVFWFLSA-N 434.566 0.932 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1692542133 DEXIPQHPUVVPQF-CABCVRRESA-N 441.483 0.501 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705474619 DGBOHRFZOMFGSI-MSOLQXFVSA-N 429.569 0.915 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1705626574 BHQACSCPCJEAPT-JOCHJYFZSA-N 438.488 0.429 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(=O)NC 1705698684 XHMBYCGGLKCTFK-DZKIICNBSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705901516 OAICSANDLJFETB-KRWDZBQOSA-N 437.504 0.693 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1705903965 APJBNQLUPSRMGS-INIZCTEOSA-N 440.570 0.540 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712693817 BKDTVYZVXHANFH-IUODEOHRSA-N 439.519 0.316 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722359416 SPKCIGLLPCONTA-MRXNPFEDSA-N 437.566 0.813 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCN(CC)CC2)CC1 1722437555 FQFGKNJGXYMUEP-UHFFFAOYSA-N 425.585 0.461 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722691316 QBTJMFQFZZTUJT-FQEVSTJZSA-N 440.464 0.259 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722739118 AFGJIGFGISDBOC-HOTGVXAUSA-N 434.566 0.976 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1727607861 PFSXVRZVZNZOEA-UHFFFAOYSA-N 437.552 0.598 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1740531738 RUYSERHZAQCDDW-STGLLQLASA-N 434.460 0.910 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1740992768 NLDURUJQQUKEEC-KRWDZBQOSA-N 441.517 0.846 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1748892192 KVMPLSUYYAICGJ-IEBWSBKVSA-N 448.593 0.557 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1751195525 NUPKAEQFMVWACV-FHLIZLRMSA-N 448.549 0.936 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760520488 PFTVWXKYBHBOMW-KRWDZBQOSA-N 427.509 0.413 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760555230 AJXGQJZAZDYQPL-CABCVRRESA-N 434.584 0.642 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N(C)CCO)nc1C 1872637368 VUZUSQZVMMOKRA-UHFFFAOYSA-N 439.450 0.188 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 460931100 JRBQTBPPALPXDD-OAHLLOKOSA-N 426.543 0.246 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)C1=O 461287278 WJYRZWADZLUZDT-GFCCVEGCSA-N 432.399 0.613 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 508824933 CXLXWNXHRMSHAY-JKSUJKDBSA-N 441.554 0.571 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1 508914932 PABULWATXIVNGY-UHFFFAOYSA-N 444.941 0.317 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 512714471 SUIFGYSSUIXUOL-GOSISDBHSA-N 434.562 0.534 30 10 ICEE C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 556411311 BXBXJDDTLWBRBZ-UHFFFAOYSA-N 449.537 0.514 30 10 ICEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 578286687 GSYPFGLVDAMBBC-MRXNPFEDSA-N 447.561 0.428 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(O)c2)CC1 685558529 MULGNLUBVTYJSC-GOSISDBHSA-N 448.549 0.829 30 10 ICEE CSCC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732155834 GYSGTCVLQYGRIL-NEIYXTIMSA-N 448.545 0.926 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741218535 GIRGPHLGVSMPTI-UMIVRTMYSA-N 426.473 0.947 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2O)CC1 1152972867 DZGVLIQRFFSEGU-UHFFFAOYSA-N 431.518 0.927 30 10 ICEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286751612 JMHZSMXJSGOSGO-IBGZPJMESA-N 432.506 0.653 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccn(C)n1 1288154381 GQRFCBHEWQRRCZ-UHFFFAOYSA-N 448.535 0.986 30 10 ICEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300484577 UGQCLAMXTXAIBX-HNNXBMFYSA-N 446.924 0.797 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1300491476 HUOGPLVSIBALNT-GJZGRUSLSA-N 425.580 0.998 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCCCO)CC1 1300723682 ZJYIJFBTTZHXPM-MRXNPFEDSA-N 434.566 0.311 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1301554555 IGPSVIWROWOMSY-ARFHVFGLSA-N 438.554 0.292 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305116794 PWVRDANDLKGWOJ-NYAYQYMKSA-N 443.508 0.365 30 10 ICEE Cc1ccc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1Br 1309505476 BFSVXDXNWQFLKI-LSDHHAIUSA-N 432.340 0.967 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1313550091 FJNMOXRLJFORCO-UHFFFAOYSA-N 425.493 0.590 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)N(C)C 1359237492 BJYWVGNZDMAEGS-UHFFFAOYSA-N 441.583 0.752 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ncn(C)n1 1360237833 CIEHKWFZOPZYCH-UHFFFAOYSA-N 434.508 0.791 30 10 ICEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1470255136 KEXSQIGZDWSTQP-WMLDXEAASA-N 426.520 0.017 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cc(CO)nn1 1507656728 LXEIIGYWCPHTPX-UHFFFAOYSA-N 429.488 0.764 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)CC1 1507736018 DFNJOOFKPLOCNI-UHFFFAOYSA-N 445.549 0.245 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)CC1 1507738065 IYVAHYXIXOXBTO-MRXNPFEDSA-N 441.536 0.241 30 10 ICEE CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1515507207 HFJLCBJKESFVQP-GVDBMIGSSA-N 441.602 0.937 30 10 ICEE CS(=O)(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1519600299 WFAWDVYZVUWHTF-YOEHRIQHSA-N 448.505 0.459 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC(=O)N2CCOCC2)cc1 1521109556 CNEPCJVGYAZICF-UHFFFAOYSA-N 444.517 0.156 30 10 ICEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)c1ccc(Cl)cc1 1538308754 SBJHERLLBBCEMX-LRDDRELGSA-N 431.923 0.357 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1541943590 ZBTPUVPIBVKYLO-OAHLLOKOSA-N 445.549 0.611 30 10 ICEE C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1545119090 SJFQYSHBOFHURS-CJNGLKHVSA-N 436.494 0.349 30 10 ICEE CCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1547366750 ZWFZKXGDLZMTPZ-OHTQGHCMSA-N 434.522 0.695 30 10 ICEE COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1555398417 OEYOWJSILHQHNZ-VBQJREDUSA-N 435.506 0.933 30 10 ICEE CS(=O)(=O)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1555808076 OPAQMEMLRVJHIE-QGZVFWFLSA-N 428.490 0.017 30 10 ICEE C#CCNC(=O)C1CCN(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 1568075879 BLYNPLUYIYHXHY-BVUBDWEXSA-N 439.434 0.960 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588029742 LLOCTNQDHYZSOD-HOTGVXAUSA-N 443.595 0.454 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595556681 YYFVUVMREOKOAL-MRXNPFEDSA-N 433.534 0.803 30 10 ICEE C=CCN(C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1625390345 VUHYXQJDWORPJP-CVEARBPZSA-N 443.566 0.951 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2c(C)nn(COCC)c2C)CC1 1632965999 HRPYXPZQVHUQOI-HNNXBMFYSA-N 425.555 0.284 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 1635993257 KLZKGJYEVPFGQS-UHFFFAOYSA-N 427.432 0.865 30 10 ICEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)O1 1649588250 DIZMNLMKVDPQRZ-ZXFNITATSA-N 426.543 0.965 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC#CCN(C)C)CC2)cc1 1682526133 SWEQTTYJWXSDJQ-UHFFFAOYSA-N 437.566 0.011 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 1686239304 GFIYHXWZXMRYFR-KRWDZBQOSA-N 434.522 0.088 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1689901485 KXNWFYBKYJZRST-IBGZPJMESA-N 441.580 0.947 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689982172 JADFTGGCCOPZRO-OXJNMPFZSA-N 438.550 0.470 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689995996 BTORMFFJDQAEGN-KSZLIROESA-N 449.577 0.842 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1690020103 YTKZLTMBDANIRM-GOSISDBHSA-N 436.582 0.414 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)nc2OC)CC1 1690130702 MJSPZMRZGCOCRW-UHFFFAOYSA-N 439.520 0.616 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1696501426 DZRYTHISDPLVKC-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc(CCC)nc2C)CC1 1705633349 OVQQWWCQBRMLMY-INIZCTEOSA-N 449.581 0.941 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705634720 HCUGZJILZSYJFQ-NZQKXSOJSA-N 444.580 0.944 30 10 ICEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705758841 FONBVMDBPUGZRQ-HNNXBMFYSA-N 441.879 0.628 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1711353517 ISFURRHSHHKBRC-AWEZNQCLSA-N 432.506 0.656 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CC1 1722432400 XCANSKGZSIWBMB-UHFFFAOYSA-N 440.577 0.729 30 10 ICEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1722539039 DUXCZBMKOSGSFU-HNNXBMFYSA-N 439.563 0.837 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722740072 JYOMCDIUQHYTCZ-KGLIPLIRSA-N 433.538 0.621 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)CCO1 1731187019 VZRCVOQRHNMQHL-HOTGVXAUSA-N 427.465 0.850 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740887305 FYEGRDICEZBTND-FUHWJXTLSA-N 434.566 0.949 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1748790929 OSQXJICBOMDGKD-SFHVURJKSA-N 449.533 0.746 30 10 ICEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1750057241 REUDUGJXTVVUKX-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185564 ZIZGQJJNDYIMRI-OXQOHEQNSA-N 433.534 0.716 30 10 ICEE C#CCN(c1nnc(CC)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185921 HACKXGIDJLDNPZ-HOTGVXAUSA-N 445.536 0.823 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1OC 1760210210 OFNGEZPARUPIGU-HNNXBMFYSA-N 447.565 0.704 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1760295308 RNLWQHBIPBNVJK-KBXCAEBGSA-N 447.508 0.885 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760449104 ALRMFQGEYKROSQ-INIZCTEOSA-N 442.524 0.947 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1760565855 GDUAJPLYEHZJOK-CABCVRRESA-N 442.567 0.259 30 10 ICEE CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1766894135 UWCXWEPOWFFJAI-UHFFFAOYSA-N 431.504 0.945 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2141246955 DZZUBZXRILKPAP-ZDUSSCGKSA-N 449.317 0.873 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628803 NEIIEIDYWHLEBK-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC(CO)(CO)NC(=O)OC(C)(C)C)[nH]1 2315390517 PNSFXCPLODGACX-UHFFFAOYSA-N 437.346 0.771 30 10 ICEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)C2=O 465125270 AZLWVRHRPOVQQE-DBWCEAHUSA-N 425.493 0.886 30 10 ICEE N#Cc1cc(C(=O)NCCN(CCN2CCOCC2)C(=O)c2ccnc(C#N)c2)ccn1 476688620 LHZGCBNXQNDIHG-UHFFFAOYSA-N 433.472 0.424 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCOC)C1 555272122 FSEUIHMECREASO-DLBZAZTESA-N 443.570 0.819 30 10 ICEE CCC/C=C\[C@H](O)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](C)(C(=O)c1ccccc1)[C@H]2O 575416791 DWJJYIQZNKWPIG-HFWZRIDYSA-N 429.469 0.809 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 604001728 QEIKBDBTFNFUJS-UHFFFAOYSA-N 431.477 0.431 30 10 ICEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732700100 FLMIFGZPWHEKHR-SFHVURJKSA-N 434.541 0.885 30 10 ICEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 771546221 DYJQOQNFANUZND-DSGGYQJVSA-N 428.522 0.359 30 10 ICEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774059475 YJMFSZPCZHAEPJ-AWEZNQCLSA-N 429.520 0.600 30 10 ICEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(S(C)(=O)=O)c1 774242977 PTTFSGBQHAHESN-HNNXBMFYSA-N 434.474 0.014 30 10 ICEE CC(=O)N1CCN(c2ccccc2CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1116044126 BKLUCDNHWYCWKH-MRCUWXFGSA-N 440.504 0.681 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H]3CCCN(O)C3=O)CS(=O)(=O)[C@@H]2C1 1141462967 ATZBHRCMIFIPNO-AAVRWANBSA-N 431.511 0.153 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccncc2)cc1 1169737721 YHJKMCNRYGDWCR-MSOLQXFVSA-N 433.486 0.941 30 10 ICEE N#Cc1ccc(N2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cn1 1175934349 APWADTGFIZWLFK-UHFFFAOYSA-N 442.545 0.472 30 10 ICEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1176832803 JDFWTSZPVBXFQH-QGZVFWFLSA-N 433.530 0.778 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286394997 QKSQBKGZHUUGHU-MDZRGWNJSA-N 440.591 0.667 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1286523500 XKRIQOSYUPVPFY-FXAWDEMLSA-N 435.550 0.950 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1286608956 WDSJBSPUMKUIAF-QGZVFWFLSA-N 425.555 0.832 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300495144 DKHOXGZVCXOOLK-YZCUQEPOSA-N 442.607 0.956 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1301477788 FJXGOXIOYZJJDY-HXUWFJFHSA-N 427.465 0.223 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301479128 UNAHYVVPGYAWCD-LSDHHAIUSA-N 449.537 0.243 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301509675 LPGQGZBLXVLIKP-MRXNPFEDSA-N 431.541 0.444 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOC2(CCOCC2)C1 1301588883 KZGNPDCBBBDSFI-MRXNPFEDSA-N 426.539 0.769 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CCN(C)CC1 1472071801 FRHIDXSZFWFOFP-SFHVURJKSA-N 435.594 0.990 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507755107 RGXVRAHJDUMHBI-HNNXBMFYSA-N 428.522 0.182 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1521128595 FCQLFZQYJRYEJH-HZPDHXFCSA-N 432.506 0.489 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCOCC1 1539315416 LWJOFUGOTSJTLC-UHFFFAOYSA-N 438.488 0.751 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCOC)CC1 1539430220 HKDKRLQDFCVOSJ-YADHBBJMSA-N 435.569 0.861 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1540898179 BVOZVOVFKPFGKT-CQSZACIVSA-N 449.533 0.875 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCS(=O)(=O)CC3)C2)C1 1542842181 XXJFXEACRBZAFJ-LFDOHDQPSA-N 440.566 0.620 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1555662729 GJBYNWGEOMIYDR-NEWSRXKRSA-N 434.541 0.984 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1594813124 OVWZJJOMVXNBGW-INIZCTEOSA-N 441.554 0.068 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1595785417 ZYSCIBUNGILDKA-UHFFFAOYSA-N 443.533 0.541 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595812209 PKIXRBUQSICTDD-SFHVURJKSA-N 428.580 0.846 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O 1598198093 CRXNGJHCPNRNNH-GFCCVEGCSA-N 434.474 0.921 30 10 ICEE CS(=O)(=O)C1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1629486012 UMLNLTQHSDONKG-UHFFFAOYSA-N 439.559 0.995 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc[nH]n1 1636476083 AYMPZTFIGRACNI-ROUUACIJSA-N 443.504 0.693 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1636480063 KKEUJHZLPLFEIT-UHFFFAOYSA-N 447.366 0.520 30 10 ICEE N#C[C@@]12CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1652520975 JGNRMHFRQIXPOS-YJBOKZPZSA-N 438.527 0.406 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1659644940 QLHZKEIRRLVQMF-LBPRGKRZSA-N 447.336 0.611 30 10 ICEE C#C[C@@H]1CCCCN1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1680799956 FCHBHAFKVBVVBR-OAHLLOKOSA-N 443.547 0.988 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](COC)OC)c1 1689870342 KVMJNPVDRGYTKW-QZTJIDSGSA-N 440.504 0.947 30 10 ICEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689935814 UDBBEHXBLQYPES-UHFFFAOYSA-N 442.564 0.932 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1690666262 YAYRZQOCFACVMT-INIZCTEOSA-N 436.524 0.753 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCOCC2)C1 1690687028 XSGGGFFXIPUDTL-YESZJQIVSA-N 442.586 0.390 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](F)COC)CC1 1705638838 YPAGMIIIQBWXID-MRXNPFEDSA-N 439.495 0.932 30 10 ICEE C#CCN(c1nnc(COCC)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1722370740 PVPIZSCGSHCWJE-KRWDZBQOSA-N 439.582 0.288 30 10 ICEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1723878398 HDCULTVABMEHPB-AEFFLSMTSA-N 436.582 0.888 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740655944 GRJWEVWGMFFJKP-KRWDZBQOSA-N 437.591 0.624 30 10 ICEE CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748143591 FXSUMYQNIDTIRS-RPBSFSNWSA-N 429.525 0.965 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1760162825 HPRVOBBKPJOUQW-CQSZACIVSA-N 439.563 0.551 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760259828 HNICEWBYGCRCDM-QGZVFWFLSA-N 427.553 0.633 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760526868 IJVPHSNRDIYCJO-UHFFFAOYSA-N 449.519 0.920 30 10 ICEE CN(C(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)C1CN(c2nccnc2C#N)C1 1891352326 NHWQKBTZLYHCOM-ZDUSSCGKSA-N 441.517 0.354 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267880375 SNRKSWSFEWEHIV-KBPBESRZSA-N 448.329 0.876 30 10 ICEE O=C(N[C@@H](CS(=O)(=O)N1CC[C@@H]2SC(=O)C=C2C1)C(=O)O)OCc1ccccc1 2270523643 ZSKNXKZPUSWYMG-GJZGRUSLSA-N 440.499 0.970 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@H]3CCCCN3C(=O)[C@H](O)CO)nc2)OC1(C)C 204890552 LGIAVBOXKMVEHP-HZPDHXFCSA-N 437.371 0.992 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 487435792 FGVBXADISUJTGY-RBUKOAKNSA-N 425.489 0.738 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 512365822 DLXVNQMNEWXNAE-UHFFFAOYSA-N 434.562 0.506 30 10 ICEE Cc1cc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n(CCC#N)n1 541877361 HNEGAMNVNRDXPG-UHFFFAOYSA-N 442.501 0.647 30 10 ICEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 543145569 RZKYECVRPANKNW-UHFFFAOYSA-N 439.522 0.515 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 590928170 SAGFFHDQOBNSDH-UHFFFAOYSA-N 446.598 0.579 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 795772165 BHMPHCRMPWAYCK-UHFFFAOYSA-N 433.889 0.874 30 10 ICEE C=CCn1c(-c2cnccn2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811789255 VPUMQOOVVMJICM-UHFFFAOYSA-N 438.583 0.829 30 10 ICEE N#Cc1cn(CCNC(=O)c2cc(F)cc(I)c2N)c(=O)nc1O 1167528207 ZOPDVFIIVDFGCJ-UHFFFAOYSA-N 443.176 0.576 30 10 ICEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1192472300 UJZIFLRNVKYLKD-KRWDZBQOSA-N 431.514 0.412 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286382499 SDEIZCHFICZEAM-CQSZACIVSA-N 430.490 0.077 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286388772 BPNFZDHPRAPPCR-CVEARBPZSA-N 431.522 0.061 30 10 ICEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286450061 MWWWQHIHJLAEIX-UHFFFAOYSA-N 448.531 0.863 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(N)=O)nc2)CC1 1286470832 DGMRVFROSIBGND-MRXNPFEDSA-N 427.509 0.300 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1286816226 DDZFKDXWWNFSOO-CHWSQXEVSA-N 437.613 0.431 30 10 ICEE CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287357763 XEWSELCDQNHPOL-YWMAMYRUSA-N 436.538 0.626 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300499399 REIRJKZKWYAXCQ-QGZVFWFLSA-N 444.561 0.663 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1300764251 VALUUGBHVBXIMK-CQSZACIVSA-N 434.609 0.418 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1312898603 QKHUARPLGCSZBB-UHFFFAOYSA-N 448.505 0.451 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(I)ccc2C)CC1 1455114585 FKYAKFFUKNUGLW-UHFFFAOYSA-N 447.298 0.825 30 10 ICEE CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1466851519 KCADBJCPSVJCLL-ZDUSSCGKSA-N 427.914 0.513 30 10 ICEE N#Cc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 1473618390 HVMJLMXDGZBKAY-HXUWFJFHSA-N 430.530 0.950 30 10 ICEE COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505052871 STUPMWBGOKPOAL-LJQANCHMSA-N 428.541 0.979 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1507588250 HWAQWWZKPMSTNZ-GJZGRUSLSA-N 425.511 0.024 30 10 ICEE C=CCCOCCn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507968445 SSTWYPJXNWPBAN-UHFFFAOYSA-N 444.540 0.605 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508092978 AAQOEQZJKCAPIM-QGZVFWFLSA-N 445.568 0.691 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1519594385 QWLYMDFTYXHOAD-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCOCC3)CC2=O)cc1Cl 1528811296 AXOZUDWOEZQXGI-AWEZNQCLSA-N 440.909 0.343 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1539304826 HEAVCMFKIIBBRO-NRFANRHFSA-N 428.514 0.963 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1539516938 GKISTQCZZKOHJA-CABCVRRESA-N 445.636 0.919 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1540037290 HGUIVNMASAQTSK-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCOCCS(C)(=O)=O)C2)C1 1543884484 FVUIDIBVGITYGF-XAUUPUKJSA-N 429.539 0.951 30 10 ICEE CCc1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546515883 IYWCKYLJOMVLKT-VHEBQXMUSA-N 427.509 0.816 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1555753130 JXKWBKFQKFDRBQ-XWSJACJDSA-N 432.525 0.989 30 10 ICEE C#C[C@@H]1COCCN1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1563909966 JFJXYKRKBQZCKT-OAQYLSRUSA-N 428.533 0.816 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1588871406 CBNRGDQMUVNXHR-UHFFFAOYSA-N 425.472 0.828 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589059263 DDKIPGDAOGIYEP-ZDUSSCGKSA-N 431.522 0.116 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1596831103 IEMPLWFJQGQLDI-BFYDXBDKSA-N 439.586 0.690 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1 1611710867 GTDGUTHQEHQSAN-CVEARBPZSA-N 425.559 0.493 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1617486587 HEEABHLPNPSLRB-ZQIUZPCESA-N 443.572 0.606 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1618691468 YAIXHMDZQWHAGJ-SFHVURJKSA-N 449.471 0.677 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(CCN3CCOCC3)c2)s1 1632692629 FWGBRFWJQANZQQ-UHFFFAOYSA-N 439.563 0.922 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2)C1 1645991800 VNADHYLZEQZRKP-XNDRKVBMSA-N 426.539 0.910 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC([C@H](F)C(N)=O)CC2)CC1 1659796483 GAMSLBYXOCJNMO-SFHVURJKSA-N 444.467 0.990 30 10 ICEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)c1 1684749603 IKMBUSNQHMIURO-IRFCIJBXSA-N 432.546 0.776 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1690034438 IEADRKLPSXZQAQ-HTAPYJJXSA-N 442.520 0.770 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NCCC)CC1 1690113406 IVUJGPJPURVQRZ-JOCHJYFZSA-N 432.569 0.990 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(O)CC1 1690526686 BUXOAQWDVWRBDU-KRWDZBQOSA-N 442.586 0.080 30 10 ICEE CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1690870196 GOEWCEQDSVKTJY-HXUWFJFHSA-N 432.504 0.007 30 10 ICEE CC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694898400 IIAAIQGWUAYFMW-SYWZAZHRSA-N 448.549 0.943 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705580045 BYGKSIMFRMOLFQ-OKZBNKHCSA-N 444.561 0.506 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705894708 IHCAIMHUNPNIOD-OAHLLOKOSA-N 438.492 0.429 30 10 ICEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1710670534 FBVATPSDNHZBTM-UHFFFAOYSA-N 428.584 0.933 30 10 ICEE COc1ccccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1711987126 DLHLGXVHTFVYCO-ZBFHGGJFSA-N 434.522 0.868 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1722293077 BMWHFJJKOHCTTQ-CEXWTWQISA-N 436.626 0.912 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1729677231 MDYOQHHLXPUDKK-AQTLKONXSA-N 431.497 0.053 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1740671824 PNYSPGZRAVOHQI-IAGOWNOFSA-N 426.587 0.801 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](COC)OC)CC1 1740838977 DBIMUFUTUKSUFL-IAGOWNOFSA-N 443.570 0.675 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740993391 ZSJJVLRBNPKOPE-SFHVURJKSA-N 448.549 0.206 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCCS1(=O)=O 1744698682 ZJNIMFVSYNRCLC-UHFFFAOYSA-N 430.538 0.469 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1748669097 APJIJDAPRSIGLE-HOTGVXAUSA-N 425.449 0.671 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748718843 UKTUEDQYFUEJSD-MRXNPFEDSA-N 445.549 0.570 30 10 ICEE CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCOC1 1768561994 NGXSANDXGDFFLH-CJNGLKHVSA-N 436.494 0.349 30 10 ICEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C(=O)C2)C1 1856865706 AYQKQVJZMSUJDF-QZTJIDSGSA-N 438.594 0.512 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN(C)C 1857331529 TUHLHWQDYXOKKE-KRWDZBQOSA-N 434.518 0.071 30 10 ICEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nc2c1 248071830 XRDMKNHDVIZCSB-UHFFFAOYSA-N 428.474 0.435 30 10 ICEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)ccc1C#N 427145169 XQRPWAPGSIWPSY-UHFFFAOYSA-N 436.515 0.859 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 434795930 SNCCYPTYICJVEM-DYESRHJHSA-N 428.468 0.209 30 10 ICEE Cc1ccc(-c2nc(CC(=O)N3CCC(N(C)C)CC3)no2)cc1S(=O)(=O)NCC#N 445618361 LOEMYKHJPDQHTO-UHFFFAOYSA-N 446.533 0.942 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cn1C 482617535 WWRQHULAWFFASZ-UHFFFAOYSA-N 432.506 0.695 30 10 ICEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 492759807 XORWILAFQCSYNQ-CQSZACIVSA-N 441.941 0.733 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508919145 POLNEXGBNFQWSW-HZPDHXFCSA-N 427.527 0.183 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 603797904 VVPHXLNXPWSBHL-UHFFFAOYSA-N 444.532 0.409 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 603800369 WVCFTPOSBDTFBY-CQSZACIVSA-N 433.555 0.724 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C#N)cn2C)CC1 751725269 SOOFAYMUTLYOHF-UHFFFAOYSA-N 435.462 0.192 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@@H]12 1131127123 YYZHWWUKPDIVEC-UOJCXKCYSA-N 437.905 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C(F)(F)F)nn(C)c2Cl)CC1 1208375450 PNOYWLOZVXTMMZ-UHFFFAOYSA-N 428.824 0.709 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1286546571 JWXHTJHOEMXCJJ-KFWWJZLASA-N 449.599 0.350 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1286780636 PPTJLZUYGHWTIJ-KBPBESRZSA-N 430.600 0.768 30 10 ICEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)cc1 1289350388 WGXMUIDCXIYAJK-AEFFLSMTSA-N 430.486 0.624 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300480102 XSZCWQFPEMXFLU-SFHVURJKSA-N 444.561 0.989 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCOCC3)CC2)CC1 1300682025 DIGYHSJGRZZGSU-IBGZPJMESA-N 432.569 0.622 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301578418 AFTOAESWVZACHJ-UHFFFAOYSA-N 447.521 0.395 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cc1 1301656547 FSUYTGJTHZTURZ-FQEVSTJZSA-N 437.475 0.949 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359206687 MNBYIULNMOPIEP-KKSFZXQISA-N 432.525 0.434 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359332024 MSSRZHUINWRZLH-HOTGVXAUSA-N 438.554 0.183 30 10 ICEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC(F)F 1503103343 CGCYGVOBDAQTBM-UHFFFAOYSA-N 434.451 0.789 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1504130692 FZBCOODKURDMKK-SFHVURJKSA-N 442.476 0.550 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1504964369 HRBJLVUZSPTJGX-JXFKEZNVSA-N 437.520 0.608 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)CC1 1507732254 UJFYZZPXLDLQNU-OAHLLOKOSA-N 433.538 0.124 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508127127 WTROWEJMLIETHW-OWCLPIDISA-N 438.554 0.435 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1539219967 GFUPZIVMZPVPBB-IAGOWNOFSA-N 439.607 0.458 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539229419 CKQSZOOWJUSRHZ-QZTJIDSGSA-N 448.593 0.367 30 10 ICEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1539510135 FJBQOOUPVHJDKU-AWEZNQCLSA-N 437.529 0.870 30 10 ICEE CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1547715195 GPIUKPKKEDDDCJ-SKOAFDGASA-N 429.525 0.839 30 10 ICEE C#CC[C@]1(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557881104 GEUTVYOHCKQQQG-JOCHJYFZSA-N 434.537 0.976 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1587707343 DSODHYUKZQMIPQ-IRXDYDNUSA-N 437.518 0.698 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1588044723 BHEZBYJAJZBECA-QGZVFWFLSA-N 434.566 0.489 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588050893 XDCZVKAMXRUCED-QGZVFWFLSA-N 445.549 0.084 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1593746805 NPNHCJVADLIBAV-IRXDYDNUSA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595603033 VWHLNCREONJSEC-DLBZAZTESA-N 431.541 0.175 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1596640652 AWXNRNSPFFYLOZ-XMSQKQJNSA-N 437.504 0.636 30 10 ICEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1597674315 WOHMEWDBWLBCIN-QGZVFWFLSA-N 437.504 0.779 30 10 ICEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1615336853 HFCASGFKAKFMSU-UHFFFAOYSA-N 449.523 0.972 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1618840534 SFCCUYWYVBKXAO-CVEARBPZSA-N 429.506 0.081 30 10 ICEE C#CCN1CCC(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1622746331 XVRCSTPSMDYLLC-UHFFFAOYSA-N 436.534 0.935 30 10 ICEE CC(=O)N[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(N)=O 1648126041 YWTLALWNGBZWQI-RNJXMRFFSA-N 425.276 0.996 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 1665751432 XLCOPGJHCJTDPD-UHFFFAOYSA-N 436.437 0.351 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1677236894 OZMFBCRQJMKNGG-SFHVURJKSA-N 449.577 0.202 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 1682820277 ULJJVPJRHVGZIF-IBGZPJMESA-N 432.546 0.875 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCS(=O)(=O)C1 1689840469 ZXXZDJYQKONDGB-HUUCEWRRSA-N 426.506 0.813 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1689965914 GTTAUHWKHLMEOB-HRAATJIYSA-N 434.541 0.723 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689978563 YYNADRVEFUYJIU-AWEZNQCLSA-N 449.562 0.349 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1690093654 GDENCMKAXDLVHQ-JKSUJKDBSA-N 435.554 0.748 30 10 ICEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1690106149 LUHRJYTVMQINMV-UHFFFAOYSA-N 435.554 0.261 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1690734173 XPSFOFIIXDAVOX-YOEHRIQHSA-N 431.584 0.803 30 10 ICEE CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1695043991 APZXNUYSQNJGKS-DAYGRLMNSA-N 428.559 0.758 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705914101 GNPOOLFTLZFGSJ-DXQAYGFFSA-N 443.508 0.724 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1722352847 QAYZXARXGIDBKG-YJBOKZPZSA-N 442.611 0.118 30 10 ICEE C#CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722463849 OCCHKJBRCRWNNC-CRAIPNDOSA-N 428.580 0.920 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740581153 QMIYXIMBXKHYAL-SJORKVTESA-N 438.598 0.991 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1740886384 FQSRCPDJSKAXAW-UHFFFAOYSA-N 440.570 0.465 30 10 ICEE CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1745286950 FXICZYXRBVMABO-CABCVRRESA-N 428.559 0.948 30 10 ICEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1748752644 ZNSLEAXVQJSAEN-KRWDZBQOSA-N 447.565 0.748 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1749683584 YIPBYJKBODNGDC-LPHOPBHVSA-N 434.541 0.657 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760114311 KMGRJBZIRMDPPV-LUKYLMHMSA-N 434.566 0.891 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181739 AWAOGJIDJAHFST-HOTGVXAUSA-N 437.566 0.700 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1760225489 QXHRYXHJNKOVQI-HNNXBMFYSA-N 428.522 0.977 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1760277461 LMRDFMUYYPOHPS-OAHLLOKOSA-N 437.533 0.954 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1760528624 IFHQTXXXPZSRCV-UWJYYQICSA-N 445.524 0.544 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNS(=O)(=O)CC 1764919026 AZKRMFYCNGCKLG-OAHLLOKOSA-N 447.569 0.547 30 10 ICEE CN(Cc1ccoc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1767147976 CLEVWOLDBDFNKK-HMWBCQRISA-N 425.449 0.985 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1769286840 XYUIEOFJLSHMAC-JKSUJKDBSA-N 428.472 0.807 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1771112806 YEPJMVHAJXPLPH-MAUKXSAKSA-N 427.527 0.352 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1=O 1854195270 ZGOOEMIBWHKQAV-JKSUJKDBSA-N 432.912 0.412 30 10 ICEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870349111 AMBRSUPOOQSUPU-SFHVURJKSA-N 426.517 0.790 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2298372586 QUJSMCGWQUKXTB-MRLBHPIUSA-N 426.319 0.926 30 10 ICEE C#CCn1ncc(NC[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2358562553 DYVVMUJDMGKWEY-SCRDCRAPSA-N 443.298 0.392 30 10 ICEE C=CCNC(=O)CN1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 428112776 AZABAFQKUFNOIX-UHFFFAOYSA-N 435.319 0.660 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(Cc4nccn4C)C3=O)CC2)c1C#N 472041703 AGUWBCBKQWNNPF-QGZVFWFLSA-N 439.524 0.357 30 10 ICEE C=CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1cccc([N+](=O)[O-])c1 532925555 WZKSVASWEKRACJ-IBGZPJMESA-N 436.534 0.914 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nc(-c3cccc(C)c3)no2)CC1 1152967400 HCDHFGWJIBXJNW-UHFFFAOYSA-N 435.531 0.749 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNS(C)(=O)=O)c1 1286311166 KPVOIKCLZBWUKU-INIZCTEOSA-N 446.533 0.387 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286325572 WENZXBHVHZVSHO-KRWDZBQOSA-N 436.520 0.853 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286389026 DPSIYDSIOINXNN-CVEARBPZSA-N 444.517 0.308 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1286557610 WPYRBXNSISWJOQ-UWVAXJGDSA-N 445.568 0.469 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1300537899 LKYBMOQAMAWFNS-BZSNNMDCSA-N 435.550 0.499 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1300973291 XRCUTVNNAZVIAS-UHFFFAOYSA-N 433.557 0.365 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1304107851 REWDSENUACTFEG-HXUWFJFHSA-N 437.518 0.700 30 10 ICEE C=C[C@@H]1OCC[C@H]1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1435701430 PYNQBNMAMSUJHQ-CVEARBPZSA-N 432.520 0.498 30 10 ICEE COc1ccc(CC(=O)Nc2c(C#N)c(C)nn2C)cc1S(=O)(=O)N1CCOCC1 1437520969 HLQHLTAIQHJSFH-UHFFFAOYSA-N 433.490 0.811 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(N3CCOCC3)CCOCC2)c1 1451104184 NKWKITIVDAQTGT-UHFFFAOYSA-N 425.482 0.734 30 10 ICEE Cn1c(=O)[nH]c(N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)c(C#N)c1=O 1458701165 NGUOKDULQPVQSS-IBGZPJMESA-N 448.321 0.737 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1466344321 HXWUHWUSHWHDGK-DLBZAZTESA-N 443.566 0.946 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)ccc1F 1472383462 JBMBIJTZTQKTMI-UHFFFAOYSA-N 446.522 0.710 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1507517949 JQQSNCRNEBAHNJ-OXJNMPFZSA-N 440.566 0.716 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1508409168 ANJPPAFYZXTFAE-ZJUUUORDSA-N 425.437 0.163 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1519435959 IDRAISXWRRKKGL-DKICVRJWSA-N 429.456 0.986 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1521089671 IDWNWHPMNWNDFY-HXUWFJFHSA-N 431.518 0.575 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1539231576 UCNPREWMOBWRKZ-UHFFFAOYSA-N 433.516 0.867 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1540620126 FLDRUQIJIRHJBN-LSDHHAIUSA-N 429.539 0.445 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1541115779 FFJFNDLVPLLTJZ-JKSUJKDBSA-N 436.542 0.494 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1569560545 KIJOGAYEIKNRRW-BLVKFPJESA-N 429.470 0.441 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588028782 AASLNFMJQWUOMW-HNNXBMFYSA-N 430.534 0.745 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1588113461 LMMXWNSGSGMICK-UHFFFAOYSA-N 442.497 0.686 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588891307 NOOHIZAIHCRGJU-GSHUGGBRSA-N 449.552 0.508 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cc[nH]n1 1632372432 ZOROXTJWUZLFJJ-IBGZPJMESA-N 442.520 0.798 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 1643372558 QRECLNJLLOYRFB-UHFFFAOYSA-N 425.898 0.095 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1649678454 KJSKAKKNJZSTDT-MEUCICPISA-N 445.524 0.661 30 10 ICEE C=CCc1cc(CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc(OC)c1OC 1676275341 SPAYXVHHOOTMLC-INIZCTEOSA-N 427.523 0.892 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)CC1 1683496268 RLDBJZLOMXVPIP-UHFFFAOYSA-N 430.571 0.929 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1689825956 GBWRQYPLDZDPGM-GJZGRUSLSA-N 428.522 0.975 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689986411 PDCIIUFACXQGHZ-MRXNPFEDSA-N 430.534 0.437 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689992772 OSTJKUKVSWRUKE-NQIIRXRSSA-N 445.545 0.696 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)C1 1690686228 KWDCNMCQFATUCR-TXUMCGTDSA-N 445.611 0.971 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1696592137 CRUDGBKPTGRYGY-UHFFFAOYSA-N 434.508 0.319 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCOC(F)F)C1 1698312143 BHSXLLCMNXFVFX-AWEZNQCLSA-N 448.496 0.980 30 10 ICEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)F)c1 1698486328 KAPHJTDKEHOWHM-GJZGRUSLSA-N 429.431 0.913 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705517530 XROBLSHMQVIWAJ-MRXNPFEDSA-N 443.595 0.455 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1705716220 CUAYVDJKFNNLOD-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1705905259 PELWPADQPQUSCH-UHFFFAOYSA-N 430.484 0.605 30 10 ICEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706836366 JGAMWOYSKSJPDH-OYLHUBKDSA-N 436.538 0.626 30 10 ICEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)nc1 1712880795 HDHLMIJUTICWSO-OAHLLOKOSA-N 446.462 0.757 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722332908 PWDHNCXPQWYILJ-OAHLLOKOSA-N 428.580 0.997 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722692197 HVVPXPAIBKFKJM-CQSZACIVSA-N 430.469 0.086 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722703129 VUUCUBDVVNZCCH-LNLFQRSKSA-N 448.568 0.997 30 10 ICEE CC(C)C(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1723058225 VHIKVEMALREDOS-HTXNQAPBSA-N 427.509 0.987 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1740633946 ZIJNXENMAVAKML-ZWKOTPCHSA-N 428.514 0.961 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740736314 QIWQVQCLIKULLC-FEHORTKBSA-N 438.550 0.544 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748821703 SYOGHOXBXDWALA-MRXNPFEDSA-N 443.595 0.185 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749032414 GRZPIZRNIONPBJ-UHFFFAOYSA-N 437.595 0.811 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1749037545 GGUJTZGVHHBVTD-AWEZNQCLSA-N 434.609 0.418 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)NC)C1 1749709896 TWLRXPPHTSJHDC-ZDUSSCGKSA-N 438.510 0.336 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnccn2)CC1 1749741366 ZRBNBSPPMMWFET-MRXNPFEDSA-N 433.538 0.847 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CC(=O)N(C)C)CC2)c1C#N 1751827355 BVWHHPYOOBOHQD-UHFFFAOYSA-N 448.535 0.592 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760546381 NPYRTGNLUHHTEF-XLIONFOSSA-N 433.534 0.595 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1766407742 OIYPGEITOGPVOU-UHFFFAOYSA-N 448.553 0.299 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2n(C)c1=O 1848888317 OOMOXABILMWOLD-UHFFFAOYSA-N 439.497 0.620 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856271040 GQLNMGHOLLMOHM-SFHVURJKSA-N 434.518 0.422 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561505 NOXFBZJXOBRVDE-UHFFFAOYSA-N 441.536 0.036 30 10 ICEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#CCN)c1 2164487161 JXMBDEWNYARUBH-HXUWFJFHSA-N 430.461 0.580 30 10 ICEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255838564 HZESHXAFZNGQIB-UHFFFAOYSA-N 433.318 0.973 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)c1=O 25521835 CGAGRLZJGVPXNG-UHFFFAOYSA-N 430.461 0.220 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 515512548 IUYZRQLSVBKRPS-UHFFFAOYSA-N 448.321 0.605 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCO2)CC1 555372908 SVVOPORKPKDLSS-LJQANCHMSA-N 425.537 0.867 30 10 ICEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H](C)N1CCOCC1 609213992 KUERZPYQWIZWCO-DLBZAZTESA-N 435.550 0.683 30 10 ICEE CC(C)CN(C(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 726788418 MDBDFTHVLPULSU-OAHLLOKOSA-N 445.563 0.399 30 10 ICEE CSCC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 732155835 GYSGTCVLQYGRIL-UZAQASBGSA-N 448.545 0.926 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758049958 ATEFCQCWZFOBCN-UHFFFAOYSA-N 440.481 0.735 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 771385187 CMZGPPBBLGCNQT-QHCPKHFHSA-N 440.500 0.759 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ncn(C)n2)cn1 780322071 GNIBBYSHTVYXKR-HIFRSBDPSA-N 447.569 0.792 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1286282555 OANPXKZPRDIROA-VBKZILBWSA-N 434.518 0.970 30 10 ICEE C#CCN(c1nnc(CC2CCCC2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286394095 UIIAAJNRFDAAMP-MRXNPFEDSA-N 428.580 0.682 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286477140 PAAQFNMFYQBDHD-FQEVSTJZSA-N 426.569 0.791 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)CC)CC1 1286490348 QPIYESQFUBGGSX-UHFFFAOYSA-N 445.549 0.245 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286793782 LWIJVAJYWVFTBJ-QXAKKESOSA-N 445.568 0.421 30 10 ICEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300974104 CQWSVZMEKYURSE-QGZVFWFLSA-N 440.504 0.693 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cs1 1304675982 PXSIJKSHRYNOLP-AWEZNQCLSA-N 427.494 0.516 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1315008035 PJFJOPVJVUZPDK-ROUUACIJSA-N 426.477 0.573 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1358979848 ZLLFLFFCPNRVDR-GOSISDBHSA-N 445.549 0.082 30 10 ICEE N#Cc1cn(CC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)nc1O 1443630480 HIUQOCIYMFEZCZ-UHFFFAOYSA-N 430.896 0.802 30 10 ICEE Cc1c(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cnn1CCC#N 1449274737 TZNFKTWGIYQFDE-QGZVFWFLSA-N 438.536 0.682 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468663948 SJOJXGACCBNEKX-OALUTQOASA-N 427.553 0.679 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)s1 1471858450 MMRXSUKHFSGKJL-CYBMUJFWSA-N 437.547 0.954 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507642712 ZHIBCTYFUPNLQL-QFIPXVFZSA-N 429.521 0.640 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(O)CCOCC2)CC1 1507737779 FFRWEWZZXXIVHF-KRWDZBQOSA-N 444.536 0.127 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1508098880 SJLFYDGGFKDYQN-SIFCLUCFSA-N 434.497 0.167 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(C)(C)O 1509682484 CCRJJOQCSYTVDB-OAHLLOKOSA-N 441.540 0.954 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539445939 LCCGELJUAOWHOW-FQEVSTJZSA-N 437.596 0.764 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCC2)CC1 1539477719 WQKMQUYUYIZHJP-SFHVURJKSA-N 427.553 0.681 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540902370 HUNSKWBZGMKZIH-GJZGRUSLSA-N 432.568 0.744 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1541703513 QPFBXWXBFDLETJ-QFIPXVFZSA-N 437.504 0.970 30 10 ICEE CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1547766592 NNJWSIJHTLTXSD-MRXNPFEDSA-N 426.481 0.000 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593635848 BEXPJBMPCYGFLZ-CABCVRRESA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1C 1595536986 KOWOKCXUYJIKRZ-UHFFFAOYSA-N 426.481 0.986 30 10 ICEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1611301987 DEXWQPCQKPSXIU-CYBMUJFWSA-N 444.521 0.480 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1626966412 BWCJBNWPSJVECZ-GOSISDBHSA-N 434.537 0.296 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccnc(C#N)c1 1640005088 ASCSFMCJQJEJHG-KRWDZBQOSA-N 430.486 0.811 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1644940789 DZZSKOIIPZENTQ-SNPRPXQTSA-N 427.548 0.689 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)CC1 1650849157 WDOYWCUUFNYTQE-JKSUJKDBSA-N 429.539 0.125 30 10 ICEE Cn1c(=O)[nH]c(N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1=O 1652234244 UTHRQYPSWQHJQT-IYBDPMFKSA-N 444.536 0.998 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1689988921 YUYYVQNLZNRQDE-DLBZAZTESA-N 445.549 0.520 30 10 ICEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690299594 YSZPFAIAPHKKFG-RDJZCZTQSA-N 432.525 0.505 30 10 ICEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705532216 IWXQNFUZSADABW-IBGZPJMESA-N 430.553 0.566 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705934388 KXDAOFOUWPDQRN-NVXWUHKLSA-N 430.534 0.964 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705937852 GSCARKFZMYFHKI-SJORKVTESA-N 447.565 0.455 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722700274 DFGPKLCEBMPBSO-IEBWSBKVSA-N 425.537 0.723 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O 1740613220 YKNSHCPOEGJQAW-CQSZACIVSA-N 436.563 0.763 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740628456 QKNMULCYADSROW-GVDBMIGSSA-N 426.539 0.493 30 10 ICEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1742834402 DKZOHTXXELQWAX-KRWDZBQOSA-N 430.538 0.461 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748819054 JOXKPUPIBDQHHZ-GOSISDBHSA-N 445.545 0.432 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1748930047 WNXFIAOQKSUSQA-SFHVURJKSA-N 448.549 0.986 30 10 ICEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186605 PCPWQUBUKUYDCJ-INIZCTEOSA-N 436.559 0.941 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CCCO2)CC1 1760271008 IFJFZAAROKHLMJ-JOCHJYFZSA-N 428.537 0.935 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCn2cc(CO)nn2)CC1 1760271786 LURYTDWMOPYHSX-UHFFFAOYSA-N 426.525 0.371 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760287328 OKQVPGRXXYULRL-XHSDSOJGSA-N 428.580 0.992 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1760529048 VNDFDOROJHLJFA-ZMSDIMECSA-N 431.541 0.713 30 10 ICEE CN1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869960096 JOFMLUBFPBJOMG-MRXNPFEDSA-N 429.506 0.513 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871620002 YTSIVDPQPINEEC-UHFFFAOYSA-N 428.497 0.642 30 10 ICEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2269042853 WCJQPHCVKRCKFS-HIFRSBDPSA-N 444.297 0.903 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447279588 SLSUIIGNKZXILY-UHFFFAOYSA-N 436.335 0.619 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 483070910 CXPSESVOSWEQBF-XGHQBKJUSA-N 432.546 0.968 30 10 ICEE CCc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 503645621 XBFNFKWNQYHPES-UHFFFAOYSA-N 434.518 0.468 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 564189388 JIGSJLRYJJMEIL-UHFFFAOYSA-N 435.546 0.456 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 609253945 RDHOJEBCDGCHGB-HUUCEWRRSA-N 439.513 0.879 30 10 ICEE N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672375 KSYOWEXCOGRVPA-UHFFFAOYSA-N 447.451 0.568 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 731851113 HONRSBFWBWHZSD-BUHFOSPRSA-N 432.380 0.992 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cn2)CCN1C1CC1 773249163 KGIBLBWISHCSLF-LBPRGKRZSA-N 425.230 0.823 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4c(C)cccn4c3=O)CC2)o1 773685733 PNIIIMYZWYGWPT-UHFFFAOYSA-N 436.428 0.677 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 783539564 OITHHAHKEBNLFA-UHFFFAOYSA-N 429.564 0.868 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 812196495 RTBOXUXGRILMJQ-GJZGRUSLSA-N 444.558 0.269 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 917355883 FSLRGFMDRIAXNL-MRXNPFEDSA-N 441.557 0.565 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1286280310 WZZSKCDAECPHOX-YWZLYKJASA-N 433.534 0.805 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1286448390 UHGDKXLOEOURIQ-KRWDZBQOSA-N 426.587 0.801 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCOC2)n1 1286471123 JAVSBZFDUPWSAL-WIYYLYMNSA-N 430.509 0.764 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286783768 KZJWQFOCOLZCOM-JKSUJKDBSA-N 440.504 0.979 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1300762586 KIQUHUWOIJGFLT-JYJNAYRXSA-N 441.579 0.345 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301458952 LJLJNOUEJGLKGD-HUUCEWRRSA-N 431.584 0.474 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301475087 LQPWVYZLNFXHJD-QGZVFWFLSA-N 445.568 0.805 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 1311422761 JLBHWYWDPYRLHP-CQSZACIVSA-N 440.522 0.568 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358959680 NRQYTQRZLSQKHX-MOPGFXCFSA-N 441.513 0.859 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)CN(CC)CC)CC2)s1 1443586845 SPOKBPJNISDJGW-UHFFFAOYSA-N 442.607 0.768 30 10 ICEE CC(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1F 1462987389 FKNCWRJEPOXZDY-GUYCJALGSA-N 429.495 0.523 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1507615827 BQLAXUYFAYOMNG-STQMWFEESA-N 439.460 0.648 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634239 XYUKOKYZPJJUQI-SJORKVTESA-N 436.582 0.586 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1509948615 BCAONKVAXBTXLU-FPCVCCKLSA-N 426.543 0.774 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539211681 NFGDETVBTPLDOR-INIZCTEOSA-N 433.534 0.452 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1539643686 AKQBXBQBXVVBFZ-BCYZHJNNSA-N 449.552 0.935 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1540872123 DEUZSIZQGJCGDP-LJQANCHMSA-N 426.521 0.821 30 10 ICEE N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 1559423148 HATBBKHJOKAVIN-UHFFFAOYSA-N 426.907 0.968 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(C)C)CC1 1588923615 GSMJSUASENHUNZ-GOSISDBHSA-N 429.569 0.925 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C)CC1 1588929493 BGIUVERDSJCNSD-DOTOQJQBSA-N 436.582 0.096 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595529776 HIPKJKRICDEXDK-UHFFFAOYSA-N 426.525 0.820 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1595551922 YHGCVHFOIQGXDT-YOEHRIQHSA-N 426.477 0.795 30 10 ICEE CC(=O)N[C@@H](C)CCc1ccc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1614868753 FJJMJICCHYMUQB-AWEZNQCLSA-N 426.473 0.523 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CC(=O)OCC 1628849199 BHJRSLGDXFTTGT-ZFWWWQNUSA-N 425.507 0.714 30 10 ICEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 1633417420 NGIRZEYHWOCKAS-UHFFFAOYSA-N 432.481 0.902 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)s1 1636336445 NOGHTAVMCDBYLU-KPZWWZAWSA-N 440.547 0.734 30 10 ICEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644714184 FZGYPZHXCIAMQV-CQSZACIVSA-N 444.517 0.704 30 10 ICEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1646157135 DUPCTDDZOJZCBB-UHFFFAOYSA-N 435.546 0.622 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)CC1 1656642378 QTOBAIROULUKDS-UHFFFAOYSA-N 443.547 0.334 30 10 ICEE N#CC1(C[C@@H](O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCOCC1 1659571482 XHDRADCDJHMHET-LJQANCHMSA-N 436.578 0.654 30 10 ICEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)[C@@H]1CCCO1 1686185087 XPSCPVHWKOOQRU-FZKCQIBNSA-N 427.523 0.595 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1689835754 RVWOFHFMSSNACR-OAHLLOKOSA-N 431.518 0.665 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690288073 GSGIJDSCHOBTBB-ARFHVFGLSA-N 438.554 0.244 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1690672227 LUIZKCFDDRXIKI-UHFFFAOYSA-N 425.461 0.684 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705474614 DCQBWFULNPEZPS-OAHLLOKOSA-N 437.504 0.235 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1705494472 AEMDJYXZJBAQQI-QAPCUYQASA-N 443.533 0.765 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1705565575 HPTZQFXTGQUREQ-INIZCTEOSA-N 438.579 0.421 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC=CCC2)CC1 1705644045 GERRVVBLNKPRQF-UHFFFAOYSA-N 427.553 0.644 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705730369 IRQFYARGDZSCAN-LSDHHAIUSA-N 449.599 0.494 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1710169714 WFQFCJYZWSEYRN-FBMGVBCBSA-N 436.538 0.943 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1711397883 GGXWKVYMMXVGNI-FQEVSTJZSA-N 428.518 0.968 30 10 ICEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722522142 YRLPHLSAEOZUFC-UHFFFAOYSA-N 430.494 0.951 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722527812 AVHWQGAPGAPGQF-KGLIPLIRSA-N 428.515 0.122 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740960632 WOFQVNRWRIPQCM-YOEHRIQHSA-N 447.517 0.716 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1740963516 NIFQBOLPLTXTIQ-UHFFFAOYSA-N 440.552 0.891 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741480249 AGCRNCTYRLBIMW-IAFNSTAXSA-N 429.481 0.644 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1748791183 PXBPLLYFHZTBBF-HXUWFJFHSA-N 445.549 0.071 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749663677 MOYJNMKKAFXNKY-QGZVFWFLSA-N 425.493 0.470 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)C1 1749724358 IMMFKRSZVISZJE-UHFFFAOYSA-N 441.517 0.872 30 10 ICEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749749733 OVOHPPRHQAQNPD-QGZVFWFLSA-N 437.529 0.883 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760182821 MPNZTSQBGNLSHC-CVEARBPZSA-N 445.611 0.746 30 10 ICEE C#CCN(c1nnc(CC)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185922 HACKXGIDJLDNPZ-HZPDHXFCSA-N 445.536 0.823 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760186818 ATELOJSPMNFNCD-UONOGXRCSA-N 438.460 0.786 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770729062 XDOJBUHEILRUIE-RHSMWYFYSA-N 427.502 0.554 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)[C@H](C)C2=O)CC1=O 1857096248 JLKYEZFNFWONLE-OLZOCXBDSA-N 441.456 0.747 30 10 ICEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1891957401 CUHXGZKPVMNDKU-LBPRGKRZSA-N 436.384 0.922 30 10 ICEE CC(C)(C#CC(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2243023046 RNZXKIZDUQIVEJ-UHFFFAOYSA-N 429.514 0.657 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1COC1 2248435935 HFXKDOSZAORRRA-LLVKDONJSA-N 440.331 0.737 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2255693913 KLHKZCLUSKMHRA-UHFFFAOYSA-N 439.297 0.803 30 10 ICEE Cn1nnc(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 2255696841 ZXAOZCXKNGDPGN-YNEHKIRRSA-N 433.318 0.852 30 10 ICEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@H]1NC(=O)C(F)(F)F 2267272331 YYZHHKSQSQCKHR-GHMZBOCLSA-N 445.251 0.643 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCC2(C1)OCCO2 2282848415 NICCEGYODZHROG-CYBMUJFWSA-N 427.332 0.683 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)C2=O)n(C)n1 409904468 DYIUPXBIPJLIEK-HOTGVXAUSA-N 425.497 0.093 30 10 ICEE C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC 481583031 VHDQSYNBPYQNNB-INIZCTEOSA-N 432.520 0.494 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 508886496 BDFNIRLWLYXKIE-IRXDYDNUSA-N 426.587 0.965 30 10 ICEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)CC2)c1C#N 518850384 CIXDLXZSZFOQNN-DZGCQCFKSA-N 426.568 0.873 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 603798956 PYLBEYMBGDDNSV-KRWDZBQOSA-N 443.500 0.590 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 670207167 RQOYMHCFWZPPSV-IKGGRYGDSA-N 441.554 0.571 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795545 MFKAQULYNKVJKT-INIZCTEOSA-N 429.546 0.895 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCC)c2=O)cn1 735068649 FRGDDLURSBCCON-UHFFFAOYSA-N 442.589 0.593 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767883332 ZYKXXJQKDSOJTQ-UHFFFAOYSA-N 430.486 0.760 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1142139422 OWZNHEAHQYPCOE-UHFFFAOYSA-N 425.532 0.238 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2nnnn2CC1 1162165649 AZIFMACSZDAPTM-ZFWWWQNUSA-N 431.522 0.648 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1 1184099576 XVOHWZSAKFASBC-GOSISDBHSA-N 429.502 0.249 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 1220702031 GSEXVUNSZRKOEJ-HNNXBMFYSA-N 433.534 0.891 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286387888 WBXGVABYHGEALH-OXQOHEQNSA-N 435.550 0.698 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1286432014 VSTNESCFOXQTLW-INIZCTEOSA-N 425.580 0.827 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[C@@H]2CCCCO2)CC1 1286470773 BYHLVSCSPMYTSY-ROUUACIJSA-N 438.598 0.993 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286586083 VNRDXTGOZIEMIG-CYBMUJFWSA-N 434.588 0.373 30 10 ICEE COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1F 1312571948 PLNIBHUCZIJVFI-NJSLBKSFSA-N 436.465 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 1312708881 OOPSREYGNFQIDI-IXDOHACOSA-N 438.554 0.175 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1359099218 LFQFOVUDROKDTM-XHSDSOJGSA-N 444.579 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359300055 SIXCMQFLYJPXOU-MRXNPFEDSA-N 442.524 0.600 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1359302475 IPIYXLWENQWLJF-UHFFFAOYSA-N 446.581 0.194 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]1CS(=O)(=O)C2 1439616541 RRGOUGBMJPBSEP-YLVFBTJISA-N 439.287 0.927 30 10 ICEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1452477776 SBVYKTOMDLJALT-MRXNPFEDSA-N 447.536 0.819 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507631488 QAVUYVMQYMYJFJ-AWEZNQCLSA-N 435.506 0.669 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2n[nH]c(C)n2)CC1 1507734300 UHLHQSRPBWPWAX-UHFFFAOYSA-N 427.513 0.051 30 10 ICEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519529236 GSMAFKYAWGYJBG-UHFFFAOYSA-N 445.549 0.810 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539221848 RIOSNQBRDOLGPK-HOTGVXAUSA-N 433.538 0.468 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539229418 CKQSZOOWJUSRHZ-MSOLQXFVSA-N 448.593 0.367 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1544748556 UFSLRYPCXZRQQV-SXGZJXTBSA-N 431.518 0.980 30 10 ICEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1552656094 APOQYNYQIPHTCD-MSOLQXFVSA-N 437.504 0.902 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1588089937 RFNZBWZMPMYEKI-NQIIRXRSSA-N 449.577 0.816 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 1588199436 OONTYNBWVIXKSR-HNNXBMFYSA-N 448.611 0.635 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1595603040 WBIZWJZLGSAJMZ-IIBYNOLFSA-N 432.525 0.434 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595812372 QZKOHOPPUYKOED-SJORKVTESA-N 430.534 0.580 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)N1CCS(=O)(=O)CC1 1596057775 FGZICJAOTUSDCU-OAHLLOKOSA-N 442.563 0.388 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(C)=O 1613588283 DGLOVXNRJMUXGN-SFHVURJKSA-N 430.557 0.899 30 10 ICEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1644390884 ONAVCTRXXLKGQL-UHFFFAOYSA-N 428.468 0.837 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 1664525432 QXPIGCNJSFLZRM-UHFFFAOYSA-N 448.314 0.653 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 1671857488 HDSFGDBKJBHFSP-CEXWTWQISA-N 436.534 0.406 30 10 ICEE CC(=O)NCC(=O)N1CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1682384329 BEJWOKYDZDZHCQ-UHFFFAOYSA-N 440.548 0.903 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1690077681 UGBFHALILAIENY-HNNXBMFYSA-N 441.945 0.621 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)CC1 1705633683 WHFUJESANXSPSU-HNNXBMFYSA-N 433.538 0.095 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)CC1 1705647273 CAAYERJBJZNMNA-ROUUACIJSA-N 447.561 0.839 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1705884552 RGIYNDRSDONLJA-MRXNPFEDSA-N 443.570 0.555 30 10 ICEE CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709556223 ZHCFWHSOGQNQRD-MMYRVIJDSA-N 443.508 0.761 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722368518 RPDPYFBSHISPJJ-HZPDHXFCSA-N 428.518 0.608 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722702454 OIOYGLRDARVQFW-MRXNPFEDSA-N 435.554 0.455 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1723694762 WMPOBXXRQQPJCI-DYESRHJHSA-N 444.492 0.957 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)F 1723952737 OHGOMITXQVWPDJ-TZMCWYRMSA-N 447.512 0.347 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCN(C)S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1740623471 UVOLNQFADQADRN-INIZCTEOSA-N 443.595 0.454 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1740625064 LZFFBISHRZGAOK-KRWDZBQOSA-N 426.506 0.182 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncn(C)n2)CC1 1740703401 RBQLKNJWRZPBBC-UHFFFAOYSA-N 449.475 0.996 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1740744735 FYILXVXCVDCDCG-NEPJUHHUSA-N 432.344 0.791 30 10 ICEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1745679037 NTUKRZDZNAFRPH-DOTOQJQBSA-N 439.586 0.739 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCC2 1748776401 IEXQNPPBDKTRES-UHFFFAOYSA-N 440.533 0.851 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748816324 YYMCMWXQXUMPBG-MRXNPFEDSA-N 443.595 0.500 30 10 ICEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1760930331 JQMXQVOXVGKQQR-INIZCTEOSA-N 437.508 0.983 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1767862767 ZAZJDGOAOCMBPD-UHFFFAOYSA-N 432.554 0.718 30 10 ICEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCOCC1 1769323240 CQXGUFANUSBHGY-HUUCEWRRSA-N 428.559 0.927 30 10 ICEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCCN(C4COC4)CC3)ccc21 1853795697 LAHCLRKCPMEIIE-UHFFFAOYSA-N 432.502 0.501 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)[C@H](C)C2=O)CC1=O 1854615649 RLKIZZXGDKUCRU-CHWSQXEVSA-N 441.456 0.747 30 10 ICEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N(CCO)CCO)n1 1871657298 OWZQHBYBIKCFOV-UHFFFAOYSA-N 428.541 0.178 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267146502 LCTWQPJRDMNNOH-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE C[C@@H](CS(N)(=O)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831076 DVNDWPLJDPNLLQ-QMMMGPOBSA-N 444.793 0.656 30 10 ICEE COc1ccccc1CN(CCO)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 437465556 GDKPKNSDWODNCV-UHFFFAOYSA-N 434.456 1.166 30 10 ICEE Cn1nncc1Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 514945466 PHUFUEIXWCYORI-UHFFFAOYSA-N 427.436 0.825 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518716265 JXFWHQQADXMUCO-UHFFFAOYSA-N 427.526 0.917 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c(C)c1OC 554404990 PYCKVBBUFWRWDK-UHFFFAOYSA-N 441.509 0.593 30 10 ICEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 729331429 CSAPKALZDXBKGI-HZPDHXFCSA-N 430.482 0.724 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)[C@H]1CCS(=O)(=O)C1 730212896 FFZHUAWYPZKKID-CVEARBPZSA-N 441.575 0.708 30 10 ICEE COc1ccc(CN2CC[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 734668186 BOKCEUGZKIHXJA-NXDJFEHLSA-N 427.461 0.622 30 10 ICEE CCN1CCN(c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2F)CC1 777317462 DLIWUKPHAIGGBG-MRXNPFEDSA-N 436.509 0.547 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 779172662 SJXOKQHCKCRKEZ-CQSZACIVSA-N 436.534 0.600 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 816923381 GOXPDPDKJJDLKA-HMZRMUTASA-N 438.456 0.605 30 10 ICEE C#CCN1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1154966038 CBVWQJFELLRQFA-VSZNYVQBSA-N 439.578 0.870 30 10 ICEE C#CCNC(=O)C1CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1169699191 XFFRVEZIYQFNBJ-LJQANCHMSA-N 440.500 0.860 30 10 ICEE C=C(Cl)C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1171431413 YAIVDLYKLPATMN-HNNXBMFYSA-N 445.925 0.857 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286807892 HFJOURDMLPOUSI-MYDZZUQKSA-N 441.492 0.537 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286822899 IXBBJUHWNVPXBM-FQEVSTJZSA-N 447.565 0.457 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1300499447 RYJMMZJCIVXDKZ-SFHVURJKSA-N 430.534 0.417 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(N)=O)c1 1300553429 ILLQKZRKAGRYDN-UHFFFAOYSA-N 434.500 0.889 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301239755 SYABZTFCPDXEAW-KSSFIOAISA-N 442.542 0.512 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1301497995 IBGCSKNKAZAGMD-INIZCTEOSA-N 429.550 0.915 30 10 ICEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)n1 1339474909 LRZABHLSVYZZES-GOSISDBHSA-N 448.549 0.468 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359028106 HLGTYCYHQYELHA-RTBURBONSA-N 431.585 0.671 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359327200 VHFCYSRBCWGGBP-QLFBSQMISA-N 449.599 0.350 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1360476655 OZOBLAOXBADLAK-PMPSAXMXSA-N 442.542 0.155 30 10 ICEE C=CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OCC 1468124509 DPUSRMBNTYFHJQ-MRXNPFEDSA-N 425.507 0.798 30 10 ICEE CCS(=O)(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1503272498 AFWZTZRMRCHSEJ-SFHVURJKSA-N 425.559 0.876 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1504130347 DRQHTKBURKGFKI-WIYYLYMNSA-N 428.493 0.758 30 10 ICEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1504722955 UZBKOGAUYPNRRB-SJORKVTESA-N 439.476 0.657 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1507513539 AHSRWBWFKKKOPQ-YESZJQIVSA-N 426.587 0.847 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1507838108 ZMSKFVLFDMLFHV-OAHLLOKOSA-N 440.570 0.588 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1507981037 ILBRPDQQHMKUJD-CVEARBPZSA-N 435.554 0.692 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1517413710 NIQMZGIUOHSSHG-HXUWFJFHSA-N 432.550 0.754 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540875809 YMRTXRRXEZFPRP-OAHLLOKOSA-N 437.497 0.922 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1558329138 KGUYYXWUWDOPPH-JKSUJKDBSA-N 437.518 0.823 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 1561869013 LJWANIHSDNVXBR-UHFFFAOYSA-N 440.572 0.892 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1588751558 LZQHSQYYIPXOCZ-HXUWFJFHSA-N 437.566 0.263 30 10 ICEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1598295169 GGGGMRNMIHFEMY-ROUUACIJSA-N 431.541 0.486 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606609794 SSZWPCQOUPKEOQ-MGPWXQLLSA-N 428.497 0.217 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3CN(S(C)(=O)=O)C3)C2)C1 1617274211 GSVCLXFEGCWFHS-XAUUPUKJSA-N 426.539 0.781 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)c1 1634254760 YKLZSZLACJZZCY-UHFFFAOYSA-N 432.502 0.971 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 1636480099 LPZHTKNJLDRIDI-UHFFFAOYSA-N 432.518 0.337 30 10 ICEE Cc1c(Br)c(C)n(NC(=O)CSCC(=O)N2CCOCC2)c(=O)c1C#N 1638640334 FMYVJQXHZNRTEC-UHFFFAOYSA-N 443.323 0.761 30 10 ICEE N#Cc1cc(Br)cnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1655214654 LDFVXKXFGCBXKK-ZDUSSCGKSA-N 449.352 0.355 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1 1665178930 HOXXKKDMRQPTDC-UHFFFAOYSA-N 428.923 0.662 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1671153997 BCVAERVDDWNSBR-UHFFFAOYSA-N 427.426 0.359 30 10 ICEE C#CC[C@H](CCOC)NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1687205961 JSOHBBQOHDDXBY-RTBURBONSA-N 430.553 0.980 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689841536 ISRGYQMYHRVKSB-VBKZILBWSA-N 434.518 0.970 30 10 ICEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689996666 LQACOIQFLVYVQI-OAHLLOKOSA-N 449.508 0.759 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690655305 OELURNVAJCCFGA-KGLIPLIRSA-N 426.543 0.074 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](F)COC 1705598524 LALKNYGTLFLJNX-CVEARBPZSA-N 427.502 0.058 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)CC1 1705648698 WUGAKLINQDVFNL-INIZCTEOSA-N 446.533 0.491 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705902449 FIAISMLDKFOCSX-JKSUJKDBSA-N 425.555 0.878 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722368519 RPDPYFBSHISPJJ-JKSUJKDBSA-N 428.518 0.608 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740875522 FDDMWIULAVTTNC-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820508 CURYMULWODAYDC-OKZBNKHCSA-N 449.577 0.700 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2C)CC1 1748995132 YHSVQNVYCHYBQU-UHFFFAOYSA-N 425.522 0.202 30 10 ICEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749475800 PQTUUMZTBZHLMR-OAHLLOKOSA-N 443.537 0.825 30 10 ICEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1750568668 BKQGIAPGCCVCLI-UHFFFAOYSA-N 439.520 0.884 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1760521071 IYRLMKQCZJDIRG-CYBMUJFWSA-N 430.465 0.697 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)C(=O)C2)C1 1854354833 RRULFVITADEEBH-SJORKVTESA-N 432.502 0.029 30 10 ICEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286052191 VMURJRIBJDILJL-QZTJIDSGSA-N 438.502 0.898 30 10 ICEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2[C@@H]1[C@@H](O)C(=O)C(C(N)=O)=C(O)[C@@H]1N(C)C 12405102 DRKMHDAKULCOKQ-ASCUOWJESA-N 442.424 0.558 30 10 ICEE N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 444494625 BFBYNICLPDUBLR-UHFFFAOYSA-N 444.879 1.138 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)CC1 506989405 LKBXLMCYSGODNA-UHFFFAOYSA-N 445.520 0.762 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@H]1CCCO1 518714758 FKJKVDHOHXYYCH-GOSISDBHSA-N 441.553 0.971 30 10 ICEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)n1 545471929 VKMZENIENWDYQH-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)cc1 603923607 YQKSWYLDHCAUMX-UHFFFAOYSA-N 426.542 0.053 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NC3CCN(CC#N)CC3)ncnc1-2 730673065 VNUHQRDVRXQTSV-UHFFFAOYSA-N 436.318 0.198 30 10 ICEE CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 777250551 ZSDUPNWPQXUPSE-NRFANRHFSA-N 438.532 0.488 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 793826415 LICSMIADLGTBBO-UHFFFAOYSA-N 447.467 0.509 30 10 ICEE COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 802341371 DUKGBIJZXGLPEE-QGZVFWFLSA-N 434.522 0.765 30 10 ICEE O=C(CC12CC3CC(C1)CC(CC(=O)N[C@H]1CCN(O)C1=O)(C3)C2)N[C@H]1CCN(O)C1=O 820173763 CHQYWMRRKYOXFW-FLECNLQMSA-N 448.520 0.566 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 837846908 FGKUOKBZOUNJSQ-KRWDZBQOSA-N 435.509 0.964 30 10 ICEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4ccccc4[N+](=O)[O-])n3)[nH]c2n(C)c1=O 1084106318 RYEYYMCXJSIRDF-UHFFFAOYSA-N 442.421 0.584 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286456943 AVEWFXCSJTUMGK-TXPKVOOTSA-N 441.554 0.312 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286607917 LZBHIUIZQKQAQL-DNVCBOLYSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286789228 BDNUPFNOTMWLKV-INIZCTEOSA-N 445.568 0.834 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1300763033 MOARXNSLKKSYNE-MDZRGWNJSA-N 440.591 0.931 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301567370 HTBDTEPZFIUZOV-STQMWFEESA-N 427.483 0.131 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1303946631 GBDKSTUJGPNCNX-FQEVSTJZSA-N 443.533 0.554 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1305117072 RBFSBBREUWRURF-IVCWUWDKSA-N 443.508 0.713 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1358961975 HXDLZVASMNFWHY-ZWKOTPCHSA-N 448.593 0.730 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1358994379 LRJXOCBIFZIBIF-QZTJIDSGSA-N 433.534 0.419 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NC1(C#N)CCOCC1 1444212568 ZXPKFVPUITYRNE-RRFJBIMHSA-N 427.523 0.846 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nncn2C)CC1 1452655701 BFBCLLVZHPZVAP-INIZCTEOSA-N 445.549 0.761 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)CC1 1478461834 RGKVSHNCACGGAV-CVEARBPZSA-N 429.543 0.038 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539261175 ZUYWDJXKMNKRLV-CVEARBPZSA-N 438.454 0.955 30 10 ICEE N#Cc1c[nH]c2cc(C(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)ccc12 1544728968 ZHOIKPULAAIOIM-HNNXBMFYSA-N 436.515 0.314 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCSCC3)n2Cc2ccc(C#N)o2)C1 1555812887 IUCFJNFKYCWLTE-OAHLLOKOSA-N 438.535 0.677 30 10 ICEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1613897562 CYLOXZJQXRZSPE-OLZOCXBDSA-N 438.558 0.979 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCCOC)CC2)s1 1623802805 BYSZMJPWWDQRSR-UHFFFAOYSA-N 429.564 0.756 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(nnn3CCOC)C2)s1 1628349287 HRWQZUZLMNFLMA-UHFFFAOYSA-N 425.536 0.578 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)c1 1642925854 KENJMXUFKILTOO-QZTJIDSGSA-N 433.486 0.941 30 10 ICEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643807155 NIPITTNGSUAEBS-OAQYLSRUSA-N 443.479 0.962 30 10 ICEE COCCCN(C(=O)CN1CC(C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1653466771 IWTBOOKGDLJPPI-UHFFFAOYSA-N 440.504 0.794 30 10 ICEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccnn1C 1654005961 PWPCXVLXNHAARX-QUCCMNQESA-N 428.468 0.772 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1684201935 SGXHEGKVAMQKFW-UHFFFAOYSA-N 441.579 0.833 30 10 ICEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1698092851 RODUBHOROKGIAJ-ZZEZOPTASA-N 429.525 0.840 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCNC(C)=O)c1 1705505883 VKDHTAQRYHQRDE-GOSISDBHSA-N 437.504 0.812 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705637827 NIPPOOQESNXBDO-FQEVSTJZSA-N 439.612 0.707 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(OC)CCOC2)CC1 1705648488 XMBQFCLSDKTBKK-OAQYLSRUSA-N 425.493 0.506 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC=C 1722386981 DFPALSFTAOYYKV-UHFFFAOYSA-N 426.502 0.989 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)CC1 1722446781 BJNIWRBOZSASLX-GOSISDBHSA-N 449.577 0.739 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(C)C)C1 1722730607 XFRHFEFIAMBNMO-MRXNPFEDSA-N 425.555 0.863 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1730930477 NPXAAFOMQWQEBD-LDDOYCOJSA-N 427.527 0.290 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740554468 ZOLJNFOFVNIMBG-NVXWUHKLSA-N 448.549 0.299 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1740792098 DYKODWROPKJCMC-IXDOHACOSA-N 443.570 0.817 30 10 ICEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749508087 ISGXRJKZYYTUQJ-MOPGFXCFSA-N 426.539 0.635 30 10 ICEE C#CCN1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760259512 MSPIFCBQJBKQQA-UHFFFAOYSA-N 438.623 0.679 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1760548812 PZTZJONEVKHYSQ-GOSISDBHSA-N 433.469 0.968 30 10 ICEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764387939 FZVYIPHMVPZCJU-HNNXBMFYSA-N 432.554 0.830 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1768281873 WZVGHWICKWKHBN-QGZVFWFLSA-N 429.506 0.875 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCOC1 1768997432 JATIPXHSRSSADF-GUYCJALGSA-N 437.298 0.926 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2022805484 ASGGMYUYVBSORQ-VJANTYMQSA-N 430.505 0.564 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](S(C)(=O)=O)C1 2192655157 DWBCOOFCQGDPAH-NWDGAFQWSA-N 435.549 0.931 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255693920 KQIVMPUEVNCBRO-RYUDHWBXSA-N 437.306 0.136 30 10 ICEE N#Cc1ccc(C2(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 444028562 GRNDDJNFEOEHPH-SFHVURJKSA-N 430.530 0.037 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(Br)cnn2C)c1=O 447262267 CSPMQWMZYVNBBA-UHFFFAOYSA-N 436.335 0.621 30 10 ICEE Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1S(=O)(=O)NCC#N 541249969 WIQBIJAYTAFIMU-MRXNPFEDSA-N 444.517 0.451 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@H]1CCCO1 603798423 LWDVPRMASGOKQK-GOSISDBHSA-N 441.553 0.971 30 10 ICEE CN(C)c1nccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 610049532 XVNWDBOFGAUPTB-UHFFFAOYSA-N 428.518 0.678 30 10 ICEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672297 HJFXEIGNMONMGB-UHFFFAOYSA-N 447.451 0.568 30 10 ICEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1S(=O)(=O)NC1CC1 741095406 CDZRHTHVELNFLA-QGZVFWFLSA-N 445.545 0.881 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 751731163 LFWQULNCYZMXIR-UHFFFAOYSA-N 441.469 0.458 30 10 ICEE C#CCN(C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 774046063 JDWFSYHOVFUIIK-OAHLLOKOSA-N 442.515 0.921 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 780203244 BAPMPUJVYJTGKP-FQEVSTJZSA-N 443.481 0.668 30 10 ICEE N#C[C@H](C(=O)CN1CCOCC1=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 790767245 JAPFJMYGWMXTKJ-QGZVFWFLSA-N 448.501 0.367 30 10 ICEE CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnn(C)n2)cn1 807936937 UEFFHQIJZZJEMV-INIZCTEOSA-N 447.569 0.621 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 917925817 PEEFPANXHGCHBN-OAHLLOKOSA-N 448.588 0.528 30 10 ICEE Cc1ccccc1CN1CCC(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1176421664 GJYBFTFDTAFXDB-UGKGYDQZSA-N 430.574 0.946 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@@H](CC(N)=O)C1)CCCC2 1196640156 UESVXCRQTNXMPI-CVEARBPZSA-N 429.521 0.932 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1275549632 REOCKTFYQRQINU-HNNXBMFYSA-N 433.486 0.630 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1286282560 OANPXKZPRDIROA-XOBRGWDASA-N 434.518 0.970 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC=C 1286523291 SRUMTTCCJUNBLJ-MAUKXSAKSA-N 426.564 0.773 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286785457 FYSJCRRDAFHGAV-CVEARBPZSA-N 428.497 0.326 30 10 ICEE C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1291241588 QJMCCPWYUFYQKD-IKIUHSPNSA-N 429.481 0.369 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300485668 XZOXQPOSSMXUGV-JKSUJKDBSA-N 428.580 0.996 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](COC)OC)CC1 1300726235 JHYQFKDZVYHXNV-IBGZPJMESA-N 426.521 0.891 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OCC(N)=O)CC1 1301436174 RYLNOPJWIHSTLH-UHFFFAOYSA-N 448.549 0.852 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1305242432 AJAXCGHRUDBXHN-GZRFBZBPSA-N 431.518 0.980 30 10 ICEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1309994798 HFWUDWBOQMHELO-KRWDZBQOSA-N 449.577 0.729 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2)cc1 1313044685 AYVAPUTYFORJNA-LJQANCHMSA-N 447.561 0.827 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1358960745 KVMVIGRBDJZZNO-PXNSSMCTSA-N 430.534 0.033 30 10 ICEE N#Cc1cccc(C2(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCOCC2)c1 1437802891 IFHWPFITVWDSHF-KRWDZBQOSA-N 444.513 0.846 30 10 ICEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1440435892 TZZDUNIISNILQK-UHFFFAOYSA-N 441.462 0.946 30 10 ICEE CN(CCCC(=O)N1CCC(NC(=O)Cn2cnc(C#N)n2)CC1)C(=O)OC(C)(C)C 1454122074 UPBDKEPVXOIZAF-UHFFFAOYSA-N 433.513 0.904 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1472383679 POMGWHDGQWWXKW-UHFFFAOYSA-N 428.532 0.571 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507962392 RIGWVAPDBQTDMS-SJORKVTESA-N 432.525 0.650 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098685 QJEKZOZSKUWGIS-KKSFZXQISA-N 434.541 0.713 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1539258110 PWZVRLLSUDTUIM-DLBZAZTESA-N 432.484 0.805 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539630361 ZYCULZYYTDIPGQ-YLJYHZDGSA-N 442.568 0.918 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540871629 PWFDGDDQGRTWCZ-LSDHHAIUSA-N 449.537 0.558 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1595754604 PBADFALFRCIUFL-UHFFFAOYSA-N 438.554 0.174 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1632965866 FKVNYHHYKXPODG-KXBFYZLASA-N 444.554 0.061 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 1644281618 IKORFCJCRWGWAK-UHFFFAOYSA-N 425.580 0.275 30 10 ICEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653196188 UOIJWKCXDXVVDH-WJWCEJSTSA-N 430.530 0.855 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)N(C(=O)CC)CC3)CC1 1654308950 QWPDNCFPVBCDCX-UHFFFAOYSA-N 432.546 0.432 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)NCc2ccc(C#N)cc2)C1 1659656296 LLRKNAIEYLYHRG-UHFFFAOYSA-N 427.505 0.986 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCN(CCC)C(=O)OC(C)(C)C)CC1 1681165019 XAFGZHNRASDXTI-UHFFFAOYSA-N 431.559 0.428 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1690714813 VWLHDRSSVLCUHP-HNNXBMFYSA-N 436.542 0.450 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1693871357 HWULAEQDEMHNSY-YWZLYKJASA-N 446.533 0.438 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1705564617 DCQVYRMJQLCVPG-RDJZCZTQSA-N 449.533 0.982 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722694357 TZMWEKUAVDTNMZ-UHFFFAOYSA-N 436.520 0.329 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1722763817 GQAARKYYLGILBI-GVDBMIGSSA-N 436.538 0.167 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1723478050 GRGNSUWYUGUYTF-ZACQAIPSSA-N 441.602 0.983 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 1740818796 VCGVUTBQSKBUJI-CQSZACIVSA-N 432.572 0.080 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1741713840 MRSFSSMHVFXYSB-AYOQOUSVSA-N 441.554 0.607 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1748643879 YYRQLJFKGIIYQQ-VQIMIIECSA-N 425.555 0.812 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCOCC2)CC1 1749015604 YNKNBJMKDNSGRS-HXUWFJFHSA-N 444.580 0.860 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1760175794 RNKLYCJGMBYCGB-MRXNPFEDSA-N 447.546 0.733 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1760187418 DCAUQPASHZJXKZ-ROUUACIJSA-N 446.577 0.747 30 10 ICEE CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1769336188 ISXGQDGFKVNCSP-UHFFFAOYSA-N 431.504 0.993 30 10 ICEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)C1 1856408847 VGEAORANSFQFIZ-INIZCTEOSA-N 434.518 0.684 30 10 ICEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596512 JZHYGBYMPXVSET-GHMZBOCLSA-N 445.251 0.786 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2267604893 JHFJAHLWCDFQSN-UHFFFAOYSA-N 445.251 0.645 30 10 ICEE C[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282489798 GEDQSJKFMROUAS-CYBMUJFWSA-N 429.348 0.787 30 10 ICEE COc1cc(NS(=O)(=O)c2ccc(N/N=C3/C(=O)NC(=O)N=C3O)cc2)nc(OC)n1 58899942 UHILMZCGYUZWLE-UHFFFAOYSA-N 449.405 0.269 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 429303695 CITNBTCVCBSQJZ-FQEVSTJZSA-N 427.549 0.850 30 10 ICEE Cn1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cn1 501525275 ODFATTSVLGHYRG-SFHVURJKSA-N 428.518 0.794 30 10 ICEE N#Cc1ccc(OC2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 507848252 TYPSOLWELLEDAS-IBGZPJMESA-N 446.573 0.733 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 508496105 CFUCWSXDTDVIAF-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C)CC1 508680530 IZBJTUPRTPCLNT-UHFFFAOYSA-N 425.541 0.413 30 10 ICEE CCn1nc(C)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 726018718 BAKANILGGZMOPT-UHFFFAOYSA-N 445.501 0.773 30 10 ICEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC)cc1 730138043 IOYYBOWUZXHXOF-INIZCTEOSA-N 435.550 0.831 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc(N2CCOCC2)c(F)c1 765153900 IKFMWASZRSNNOI-UHFFFAOYSA-N 433.465 0.412 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)CC1 1207301322 FCBIOEKTFHFEKZ-UHFFFAOYSA-N 439.538 0.594 30 10 ICEE CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1307681881 BCBMPNAJLDAAJQ-HUUCEWRRSA-N 426.477 0.959 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359033235 UQNRIGFCVZNUNA-UHFFFAOYSA-N 429.546 0.640 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1359287797 WNMZALNGIMRDTG-OAHLLOKOSA-N 438.554 0.246 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 1466257016 FPVWZPTZHOVEIV-UHFFFAOYSA-N 432.506 0.557 30 10 ICEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1504011619 WBBCKUDHYDLOKN-CQSZACIVSA-N 442.467 0.976 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NC(C)C)c1 1507550821 PZGZQLGJXKOFIT-KRWDZBQOSA-N 437.504 0.810 30 10 ICEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)NC(C)C 1511888587 DHBUHEUPYNUBGM-CQSZACIVSA-N 433.542 0.291 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)c1 1585020545 CSAUCTLZQFFJQQ-NRFANRHFSA-N 434.514 0.574 30 10 ICEE CNS(=O)(=O)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1596982594 MSSYLMISQWRYJL-LPRCSBTHSA-N 426.539 0.923 30 10 ICEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CC2)c1 1620351691 GOVMNZUXNPSYLP-GOSISDBHSA-N 427.509 0.774 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c1 1627210536 XVFFBHWXOUGCEY-UHFFFAOYSA-N 435.550 0.276 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1628146944 SQESCTMIZMEXMB-IBGZPJMESA-N 428.508 0.500 30 10 ICEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1630586336 CUZNSZCCAWQEFI-JTGQJZMRSA-N 440.543 0.395 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1645274781 WKNHPYHYVRITCE-RBUKOAKNSA-N 435.546 0.930 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 1650846251 OWHFKNMCUDWCEO-UHFFFAOYSA-N 438.513 0.705 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689988316 MQTABSLCGBLUPG-JKSUJKDBSA-N 444.517 0.308 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689995879 BNWIPDFVIBQMBM-CQSZACIVSA-N 434.547 0.532 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690723599 WPFWCTFMDRCMJW-IBGZPJMESA-N 436.538 0.571 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1696498657 RKZHDDGDXKTNBB-OAHLLOKOSA-N 448.505 0.732 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1705563603 AUAOZEWKTPAHGH-KRWDZBQOSA-N 432.550 0.545 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705906360 BIKNADGDEUKENP-HNNXBMFYSA-N 430.440 0.939 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722574703 QBBUFIADZQOLLH-JSGCOSHPSA-N 439.542 0.279 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1722729340 ZARBMPMEJXBWKM-HZPDHXFCSA-N 446.595 0.642 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740599408 AGVVIXZZUAEKNB-IEBWSBKVSA-N 446.577 0.859 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740623356 RYERRJDZLBZDHS-IAGOWNOFSA-N 445.549 0.451 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1740640412 MRGMFURKFXFLSU-HZPDHXFCSA-N 448.574 0.944 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CO)c2)CC1 1740701113 UXSFWLMLLKWCHK-UHFFFAOYSA-N 438.532 0.923 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1740794766 HVBOQMPIXWSRKQ-HNNXBMFYSA-N 429.543 0.429 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N(C)C)C1 1740971024 SPQBJKZTSAXVKD-OAHLLOKOSA-N 426.543 0.187 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCC3)C1 1740973476 YCMFROJAHJPPKV-KBPBESRZSA-N 436.542 0.256 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(C)c1 1741675845 OLVQZORMAPXSJW-UHFFFAOYSA-N 434.508 0.791 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748647090 IPGZYLALKDHYLA-KWZUFBJQSA-N 428.493 0.915 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1748843459 FIAQSTWIVITQRN-OAHLLOKOSA-N 446.558 0.650 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCOC[C@H]2C)CC1 1749009518 SCNZWXVUSJLIEQ-QGZVFWFLSA-N 438.536 0.422 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2COCCO2)CC1 1749010593 SWZRJAASPZCLKR-RTBURBONSA-N 431.537 0.943 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1749668752 DPKZARIDRSFJPI-MRXNPFEDSA-N 438.598 0.793 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1760189473 UTUOLYKSKIHGSM-HUUCEWRRSA-N 425.580 0.999 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1760239935 BFSYLSWCYRBWAT-CYBMUJFWSA-N 447.500 0.239 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1761292250 XASMCBHWDVYOMV-SIKLNZKXSA-N 448.568 0.894 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1761462860 BHXAPRWZMPMNBD-LSDHHAIUSA-N 427.575 0.737 30 10 ICEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870547699 KRMWBAPQGXAKQY-HXUWFJFHSA-N 446.548 0.715 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](O)C1 2255627117 ODKPEXVCAIRTFI-GXTWGEPZSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267172966 FFEZFAHCTKHTIE-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267269027 BAMIJQAVKXKVPZ-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267570008 RPLAPEWTSARDCK-UHFFFAOYSA-N 448.329 0.861 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H](O)CN)c(Cl)c2)OC1(C)C 2282502990 SLGWBCREXONHLB-JTQLQIEISA-N 425.143 0.891 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1 106202771 AUNMBHVAXOQHCI-UHFFFAOYSA-N 428.537 0.973 30 10 ICEE CCC[C@@H]1O[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)=CC3=O 257575197 VUCLOMKZKFWQMS-CAPLPKOESA-N 434.441 0.302 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1 468560405 NTKSEVSQURQYFL-UHFFFAOYSA-N 442.497 0.959 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)c1C#N 471671577 OTFLOMNTFLKSAS-UHFFFAOYSA-N 427.509 0.846 30 10 ICEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 546168235 FNORJXYODUVPLM-UHFFFAOYSA-N 437.504 0.875 30 10 ICEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559005344 IBFOJGSDIZTZQT-AWEZNQCLSA-N 426.477 0.685 30 10 ICEE CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 564029332 IUPFCWABGLIIAG-UHFFFAOYSA-N 429.868 1.162 30 10 ICEE C#CCN(CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 731213742 QHSJZUCEZXIWNC-OAQYLSRUSA-N 445.585 0.849 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 772280565 VWUQCCRWNJCLAW-KRWDZBQOSA-N 439.541 0.948 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCC(C)(C)O)C1=O 774295988 MWDRRQCRIQUMGI-MRXNPFEDSA-N 449.577 0.946 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(Cn4nc(CC#N)n(C)c4=S)CC3)C2=O)n(C)n1 794638219 BTRCPLZIHMDIDY-MRXNPFEDSA-N 443.581 0.830 30 10 ICEE C#CCN=c1nc(N2CCc3ccnc(O)c3C2)[nH]c(N2CCc3ccnc(O)c3C2)n1 804649849 PKDJXPJUEGAMNN-UHFFFAOYSA-N 430.472 0.665 30 10 ICEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 1136457810 FBNXURAWYRIAAQ-SFHVURJKSA-N 439.557 0.726 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCCCNC(=O)OC(C)(C)C)CC1 1230310931 HFHYZIWOAPXAGK-UHFFFAOYSA-N 445.586 0.866 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1286490490 WRKZCYHZRYPYFL-KRWDZBQOSA-N 440.552 0.365 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1286492782 IVBDWCJGDPTXSD-SFHVURJKSA-N 449.577 0.573 30 10 ICEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1288552538 UFAQVVOSDDKQBE-JCGIZDLHSA-N 428.493 0.969 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300497937 FGOWXYIAQQIBQQ-RTBURBONSA-N 445.545 0.696 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1358963750 NPVZCDBRRBTRIN-IRXDYDNUSA-N 433.538 0.481 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 1449703650 PPLFOYLJGOPMPA-INIZCTEOSA-N 428.308 0.423 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507564523 RLDOUKXQBJSOFR-ZWKOTPCHSA-N 449.577 0.811 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631987 WEHYSLNWZFVTQZ-OAHLLOKOSA-N 431.522 0.230 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507687582 QYMWWLHOXFZURG-INIZCTEOSA-N 430.534 0.987 30 10 ICEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1508010527 XCAOUSRRUSJEPQ-GJZGRUSLSA-N 431.584 0.892 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)COCCO1 1510202076 WYMINWKDSQBNFP-QGTPRVQTSA-N 426.543 0.824 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 1538749688 FDDPFLNSFKPVOC-OAHLLOKOSA-N 427.548 0.605 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1539177947 CJBGRXZJAUFRCK-INIZCTEOSA-N 438.554 0.083 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(CC)CC 1539180259 YRCNDJPYRDVWDJ-INIZCTEOSA-N 440.570 0.329 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)cc1 1540877622 ANVJHQHCBQYMOE-MRXNPFEDSA-N 431.518 0.730 30 10 ICEE C[C@@H]1COCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1545121737 WJUKVSLQFMJELN-IWHJNQCMSA-N 429.481 0.152 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587668041 QUXSGXVSMFQKNV-ACJLOTCBSA-N 437.547 0.277 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588659747 NNFDTKUNCGSULM-KRWDZBQOSA-N 432.550 0.631 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1593747138 RCYZVZHHHUWNQJ-ULQDDVLXSA-N 441.554 0.571 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595555783 HAVZQRWDBISKQB-UHFFFAOYSA-N 440.552 0.213 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1595789453 SSQPYNDHBFWREH-UHFFFAOYSA-N 449.537 0.067 30 10 ICEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CCOCC1 1618322089 KQKQEMZBZAOEQT-IBGZPJMESA-N 435.546 0.932 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)s1 1631350388 YALWZZNZBFFFLE-UHFFFAOYSA-N 435.593 0.637 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nccc(N(CC)C3CCCC3)n2)CC1 1669769917 URZSJLBZFNHIBB-UHFFFAOYSA-N 435.554 0.863 30 10 ICEE C=CCn1cc(CNC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1 1682167049 MXBPQQKRFKUABU-OAHLLOKOSA-N 442.542 0.688 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 1686893289 MPAOJWWXVWMSPF-INIZCTEOSA-N 433.490 0.557 30 10 ICEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705543692 OXBSXZVWOHTCJA-QGZVFWFLSA-N 433.472 0.289 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CS(C)(=O)=O)CC2)CC1 1705763091 OCQZHXGAMOBNQL-AWEZNQCLSA-N 431.584 0.870 30 10 ICEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706056741 WFFFIROHNZCJGZ-KRWDZBQOSA-N 437.508 0.628 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1708518933 SKPVTGPOVFNHKS-ZFDMEJTGSA-N 430.513 0.779 30 10 ICEE CCN(CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1710066747 KPWGLYKYXLSWSO-IAGOWNOFSA-N 440.570 0.267 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1722391789 USCJKBULCBYFSQ-JOCHJYFZSA-N 439.520 0.993 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722431933 QODSACXFKIFSGZ-KSZLIROESA-N 436.582 0.625 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccco1 1740649076 NHBDKSBMRDIWSS-HNNXBMFYSA-N 432.506 0.374 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1740655645 FDZHMYIQMPQDQA-SFHVURJKSA-N 445.549 0.164 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC2)n1 1740689487 XIDWOIVPEGFHPB-WMZOPIPTSA-N 427.509 0.748 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740957950 FKSRKJXAFJADLF-MRXNPFEDSA-N 440.570 0.588 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748635426 RTIUQHINJUDIOV-HNNXBMFYSA-N 430.534 0.862 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C1CCC1 1749493558 HBGYTQKYUMZHGD-INIZCTEOSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749664553 RLKVSRJZQQRVOL-CYBMUJFWSA-N 443.895 0.048 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749753847 ACGKEJRUCQFEHD-HNNXBMFYSA-N 442.611 0.914 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1760282152 WWJZUSHNGONIJT-MRXNPFEDSA-N 439.607 0.851 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760510411 WXSBHJDPGCDIJC-HZPDHXFCSA-N 437.526 0.108 30 10 ICEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)CC1 1850034319 YEYUBABZXFNEPT-CQSZACIVSA-N 425.477 0.447 30 10 ICEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1851241849 SKSJLBYLWDPHRI-SFHVURJKSA-N 447.561 0.823 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)[C@H](C)C2=O)CC1=O 1855050215 JXFJZMVUIRXXTP-OLZOCXBDSA-N 441.456 0.747 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cc(F)c(F)cc3F)C(=O)C2)C1 1856835636 VJJQDCLKVBCGQJ-NSHDSACASA-N 430.408 0.316 30 10 ICEE N#Cc1cccc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1870060539 SXLFCNIZVISBQV-OAHLLOKOSA-N 430.490 0.723 30 10 ICEE CCCOc1ccccc1C=NNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 254301557 SSSPWAWBWMVYGZ-NVQRDWNXSA-N 443.464 0.255 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CC1 438261501 TUHJUXYBCWYCTD-UHFFFAOYSA-N 435.550 0.987 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(N)=O)CC1 555268535 HQLWCIBHMAUZFM-MRXNPFEDSA-N 440.570 0.669 30 10 ICEE C#CCN(CC(=O)N(CCC)CC(=O)Nc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 731213394 AZOWNNQCAMBTMJ-QGZVFWFLSA-N 435.546 0.995 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759332923 IYJUWPKUJMAXPR-CABCVRRESA-N 427.523 0.989 30 10 ICEE C#CCN(C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CCS(=O)(=O)C1 774212287 ZYYRVZSSMHGTBI-UXHICEINSA-N 446.573 0.716 30 10 ICEE N#Cc1ccc([C@@H](O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 780887255 OKCYCSARECFSOQ-LJQANCHMSA-N 429.502 0.255 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 788819304 XIUFJFAMJKNISP-UHFFFAOYSA-N 446.529 0.826 30 10 ICEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccccc1S(=O)(=O)N1CCOCC1 814860988 IUFMQXBDBNJNLS-UHFFFAOYSA-N 442.523 0.005 30 10 ICEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1157928703 RBZINKXIYIZRRJ-KRWDZBQOSA-N 444.517 0.647 30 10 ICEE Cn1nc2c(c1C(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)CS(=O)(=O)CC2 1161802347 SDOIFDVLAGJKAN-UHFFFAOYSA-N 432.458 0.409 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 1228847583 DOUGHPZBCLEWSP-OAHLLOKOSA-N 434.497 0.867 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2=O)cc1 1234023737 MKFWRHCWEBHLNW-MSOLQXFVSA-N 425.489 0.726 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286464462 BFLQIQYPEUXYAC-SFHVURJKSA-N 445.545 0.908 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1CCCO 1286516704 KVQHZVHVFBRPIY-SQGPQFPESA-N 438.598 0.727 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793577 YZDLOAVEAPVQSV-NRFANRHFSA-N 434.541 0.680 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)C)C1 1286816180 CPYPPGSDOTUOAX-LSDHHAIUSA-N 433.600 0.971 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286824024 SOZQEFGZEPXBCW-OLZOCXBDSA-N 437.613 0.431 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295073672 FSIYVCRUIDQROH-INIZCTEOSA-N 441.540 0.501 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1300502726 WHVMASNNUVNEBL-HOTGVXAUSA-N 437.591 0.923 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301467086 FVOKQJZDIWXNBO-MRXNPFEDSA-N 438.554 0.217 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1302311691 OWXNATQYFCPJBC-RDGPPVDQSA-N 434.541 0.578 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1 1358876734 PJSJBWNRMFVPKW-HRAATJIYSA-N 446.577 0.720 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1358948786 LEUOHMSEMDNVNB-MRXNPFEDSA-N 447.521 0.082 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1358979863 ZUKMISUFZPSXBR-GOSISDBHSA-N 431.493 0.871 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1360713077 FOCLJVAWDGFKLK-NVXWUHKLSA-N 439.586 0.882 30 10 ICEE C#CCN(C(=O)[C@H](C)NC(=O)Cn1cnnn1)[C@@H]1CCOc2ccc(Br)cc21 1444126670 XGAHFUBJXKPYSK-SWLSCSKDSA-N 447.293 0.926 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1470676248 CHEWXUQUKUWQPQ-HUUCEWRRSA-N 440.547 0.234 30 10 ICEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CCN2C1=O 1503676234 YMCCKIFMRRFVQE-GOSISDBHSA-N 425.493 0.772 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1507637185 ABFBLLGNCDRSOR-OAHLLOKOSA-N 437.591 0.923 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507842934 FPYGTYMZJYNUJD-ZWKOTPCHSA-N 445.568 0.565 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOC[C@H]1C 1513915564 AMYDOUKTUNGCTN-MRXNPFEDSA-N 427.557 0.801 30 10 ICEE COCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1519223325 VHUZPNYAMUAIKW-HOTGVXAUSA-N 448.549 0.850 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1539466867 IPNBLGVGCTYCGL-UHFFFAOYSA-N 435.488 0.993 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539517290 LINUFPQCOSRNCS-AWEZNQCLSA-N 448.574 0.203 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1541631599 IXNHKJRPNASXOA-UHFFFAOYSA-N 436.476 0.959 30 10 ICEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1556191858 TXCPWPHBDQDLQJ-PBHICJAKSA-N 428.514 0.977 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 1564318704 ZOMJHXOZRSTOIK-CQSZACIVSA-N 426.930 0.109 30 10 ICEE C#CCONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1632678325 JSBCAIGGJDXYFK-GFCCVEGCSA-N 441.815 0.952 30 10 ICEE C#CCN(C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1639046035 ASWQNAXDKZDARW-HIFRSBDPSA-N 428.532 0.992 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1653759513 BDQSKDWYXACTTK-UHFFFAOYSA-N 445.501 0.857 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1670882079 BZOCYPWJBKNDDG-CYBMUJFWSA-N 430.527 0.107 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689990749 RIWWUIGSUHMTBE-HUUCEWRRSA-N 426.564 0.607 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1690047008 KBMJDYOYJZUWJO-ZWKOTPCHSA-N 437.566 0.745 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705558967 NKPOOFJNWZVHGP-CSODHUTKSA-N 449.577 0.692 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1705568795 VKEBKQMJKDNNGK-IRXDYDNUSA-N 438.550 0.985 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1708197339 FJXBXTCHIMMNAU-ZZJCVSNXSA-N 431.522 0.697 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccco1 1722639759 DDSLVYLERDZEFK-OAHLLOKOSA-N 438.510 0.256 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1722704859 YGSKLNUIANKFEY-UTKZUKDTSA-N 429.525 0.409 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)n1 1726123158 HNARDNQELIFYGH-FQEVSTJZSA-N 441.584 0.895 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1740685665 JRGJHWMIGNBVFN-HNNXBMFYSA-N 441.554 0.791 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1748960997 UGMCADGJSIEYGS-INIZCTEOSA-N 430.509 0.813 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1760177485 JLXLDJMNSHDUJZ-ZPHPHTNESA-N 439.501 0.865 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760189164 RUVXAXIBDUGBSS-FUHWJXTLSA-N 443.529 0.804 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1760389119 CTTLYNAQDOKWLP-HZPDHXFCSA-N 443.595 0.761 30 10 ICEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760450217 GMTUPALJZDUSMW-SFHVURJKSA-N 448.568 0.938 30 10 ICEE CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1768154206 VKGKCCJWZVMUPQ-HNNXBMFYSA-N 426.543 0.778 30 10 ICEE C[C@H](C#CC(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1902015238 XCBWNSMVLCDUOT-NYTXWWLZSA-N 427.498 0.360 30 10 ICEE CN(N=Cc1ccc2c(c1)OCO2)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 254701061 HCPGMEYSYAMBNF-UHFFFAOYSA-N 427.465 0.744 30 10 ICEE CC(/C=C/C(=O)C1=C(O)NCC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32CO)[C@H]1C 256446759 UNOPAVUMZBJPHH-YEURWKHTSA-N 433.457 0.485 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 409585093 MBYSVYWXXAURAW-UHFFFAOYSA-N 444.941 0.970 30 10 ICEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468269677 ZTPXRVZZFIDIQH-FQEVSTJZSA-N 430.486 0.004 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C 502046146 WQSKAFIPECSOTF-HNNXBMFYSA-N 437.525 0.595 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 508903792 QJYZBYIIPPOFOR-JKSUJKDBSA-N 434.522 0.850 30 10 ICEE C[C@H]1CN(CC#CCN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC[C@@H]1N1CCN(C)CC1 551394757 OSJFKMPLGCRKCU-QYOOZWMWSA-N 444.712 0.905 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 555238266 JUHGAPVLLMMYLO-BXWFABGCSA-N 441.554 0.571 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 604523207 YGEIDFFQOXBSOU-UHFFFAOYSA-N 440.481 0.778 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 619107006 IWBTZFUPXFRHMI-UHFFFAOYSA-N 430.468 0.674 30 10 ICEE CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 619852472 NWZWRKUTPFSXAZ-SFHVURJKSA-N 445.549 0.924 30 10 ICEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 730143769 DXCAEIQSLSRPOM-DZGCQCFKSA-N 437.570 0.427 30 10 ICEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)s1 770352010 VWRPKIMKOPZFFQ-UHFFFAOYSA-N 430.533 0.559 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN2CCCN1CC2 819688778 OJTZIMDMBONEHB-AEFFLSMTSA-N 433.578 0.646 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1194098754 YNSCBVRTBVGFTR-UHFFFAOYSA-N 442.563 0.445 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1286386319 YJZZASDLJBVYDJ-SJORKVTESA-N 437.566 0.523 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1286391732 FSFVIEPEGAVDJJ-ROUUACIJSA-N 447.565 0.908 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286493696 GBNCAMQZGQYCKK-UHFFFAOYSA-N 433.582 0.183 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(C)s2)CC1 1300723197 QEXHQKBOLPUPSO-AWEZNQCLSA-N 428.522 0.403 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359026039 HZHKECYWTSINQG-GOSISDBHSA-N 432.550 0.774 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)CC1 1359038511 YUFWTJLERHUVET-IBGZPJMESA-N 430.553 0.741 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359291371 OBHADHLQSJBKQT-HIFRSBDPSA-N 433.513 0.433 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1359335414 LALDMHXDHGTLLQ-UHFFFAOYSA-N 435.554 0.840 30 10 ICEE C=CCN(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1359874836 DIEHGLFSXPXJCP-AWEZNQCLSA-N 434.561 0.918 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1COCCO1 1360675650 FLZFCKPKZPAMAU-GJZGRUSLSA-N 426.543 0.824 30 10 ICEE C#CCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1472532159 GJHGYNLHBDOBCA-UHFFFAOYSA-N 439.559 0.607 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 1477646823 LJJGARNFGSQGIM-HNNXBMFYSA-N 441.504 0.586 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1505146854 VZTXHRMORIPZFQ-UHFFFAOYSA-N 438.517 0.978 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1507538808 OXRSAJITBCJQRX-GDBMZVCRSA-N 434.522 0.521 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1507632355 ZLQBNJDMDRNECP-SJORKVTESA-N 433.534 0.937 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1507644232 DJMLUUCMTQSULB-UHFFFAOYSA-N 448.508 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](F)COC)CC1 1507740901 HHJPPSJZPGOTPW-BZSNNMDCSA-N 437.516 0.952 30 10 ICEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507965220 QEAQNWVAEWLHER-KRWDZBQOSA-N 442.495 0.748 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1508149256 RYEQKCRFXZWJNO-UHFFFAOYSA-N 439.517 0.671 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1511715604 FAILMAPOFNKAEU-IRXDYDNUSA-N 433.538 0.693 30 10 ICEE CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1517624439 DPDRDOMJCHZDJK-BBRMVZONSA-N 434.478 0.069 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539221836 RFAXMOAUJJIAON-JKSUJKDBSA-N 437.566 0.714 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(N)=O)CCCC2)CC1 1539427735 IMQAMINQYPPOMP-UHFFFAOYSA-N 436.520 0.726 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC 1539557322 QNZVQLSGDMAVSR-HNAYVOBHSA-N 438.554 0.129 30 10 ICEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 1542392395 GQUWWTLDBYODCU-APWZRJJASA-N 449.512 0.805 30 10 ICEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1585977540 USDGYNSAPVBTBY-LBPRGKRZSA-N 431.474 0.641 30 10 ICEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594617186 WUGAATOZHMLBPD-MRXNPFEDSA-N 431.541 0.759 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1595715656 ZRFZELSGQDBVEC-SJLPKXTDSA-N 429.525 0.955 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1619770104 ZSZKHRXBMKHNRY-HMFYCAOWSA-N 443.504 0.964 30 10 ICEE C#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(=O)OC 1626188352 WRBGEFLNHIMJIR-ZIAGYGMSSA-N 428.532 0.968 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 1631426273 BZYQLXQOEYWSJY-IBGZPJMESA-N 428.514 0.624 30 10 ICEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1636884751 COSCCBGAFCCBHB-MUUNZHRXSA-N 441.531 0.139 30 10 ICEE Cn1c(=O)[nH]c(Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)c(C#N)c1=O 1639539741 RIFIXUXNGOIOFH-UHFFFAOYSA-N 440.432 0.363 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 1672703213 MZZUFUBYWJHESN-UHFFFAOYSA-N 449.533 0.305 30 10 ICEE N#C[C@]12CN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)C[C@H]1CS(=O)(=O)C2 1681352764 NOJLNQUFRZQPHO-MAUKXSAKSA-N 438.531 0.306 30 10 ICEE Cc1ccccc1CN1CCO[C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1684811606 NSRZZCLUGQVKBV-GOSISDBHSA-N 426.477 0.329 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1690313539 WPYMIOISPVUAOV-QGZVFWFLSA-N 438.554 0.944 30 10 ICEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695897178 LGNGUTZQJCRLDC-IBGZPJMESA-N 444.584 0.661 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705664066 JCHCJUNFKARFOT-HNNXBMFYSA-N 425.580 0.780 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1712563581 ZLLTWQOUEPWVEQ-NSHGMRRFSA-N 447.584 0.899 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722458912 XBDBJXLWDAQOIS-MRXNPFEDSA-N 439.545 0.953 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)C1 1722718895 OJPSFSJAQSCWNS-JKSUJKDBSA-N 443.570 0.553 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1722858314 PBGHBOCOBFWBDK-UHFFFAOYSA-N 425.493 0.923 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1740621951 QUHLHBKJBRIYOW-CABCVRRESA-N 437.547 0.335 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740960498 UABSYVHPQMBLFV-HZPDHXFCSA-N 447.565 0.600 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1740962447 DRFFGTZBGDPUEH-UHFFFAOYSA-N 433.538 0.231 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1748811294 DJRZIDSMZOKCEH-XPQZIERPSA-N 445.545 0.897 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748818044 UWQAEUCTSGKXEQ-IRXDYDNUSA-N 431.518 0.861 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1748847222 PMLRQAKICRDEKB-IBGZPJMESA-N 439.541 0.960 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1760116000 DJSLWMFGYHLJRC-MDKPJZGXSA-N 447.561 0.977 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)C)CC1 1760256133 DGFLZHOHZXJLTE-JOCHJYFZSA-N 432.569 0.989 30 10 ICEE CCc1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763017419 NUCIXGPBRMEALK-MBWHEXEYSA-N 434.522 0.382 30 10 ICEE O=C1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1771570731 MIPKQXKAORUWSK-KIJUOZEOSA-N 429.481 0.372 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247950364 ATLZRBLQAUPILJ-CHWSQXEVSA-N 442.347 0.663 30 10 ICEE O=C(O)COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 33960859 KHXLHVLDUUWIOS-FYJGNVAPSA-N 443.464 0.454 30 10 ICEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 409528604 LNCYSLHYIDUNOB-OAHLLOKOSA-N 425.536 0.591 30 10 ICEE Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)n(C)c1 483701373 RWWSPEZXZWSDCL-UHFFFAOYSA-N 443.485 0.037 30 10 ICEE C=CCNC(=O)CN1CCN(Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 506261818 LGXHCYLZCNSUMU-UHFFFAOYSA-N 446.548 0.353 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543977744 KXFVMYWSYXMNBC-JKSUJKDBSA-N 437.508 0.493 30 10 ICEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 610596435 BYKPPVPLACEWCF-SZNDQCEHSA-N 441.492 0.976 30 10 ICEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672434 OGQVQCPJDUYIEI-UHFFFAOYSA-N 444.476 0.185 30 10 ICEE C=CCNC(=O)CN1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 753996464 UQDZBTCXBYDJDT-OAQYLSRUSA-N 431.581 0.098 30 10 ICEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 794240564 JKYCCUDIEVJQHB-VBKZILBWSA-N 435.502 0.543 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)ccn1 795967668 PGAFOZNFXFZHID-IBGZPJMESA-N 436.424 0.621 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2C[C@@H]2C(F)F)CC1 801482706 XUFRATGNMSJZGH-KBPBESRZSA-N 427.429 0.836 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 1144409928 XUZHNXQZTBDISF-UHFFFAOYSA-N 426.560 0.722 30 10 ICEE O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCC#C[C@@H]1CCCCO1 1158987059 SUIAOCNNFBQYKY-IBGZPJMESA-N 447.557 0.988 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286793880 OUBWVSXEGSOZEI-QGZVFWFLSA-N 439.524 0.672 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1286959294 FGWUFZVEDYXPBK-MGPQQGTHSA-N 432.572 0.309 30 10 ICEE O=C(NO)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 1297053892 DNKHGIVQTLBHAS-WBVHZDCISA-N 437.449 0.385 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1300495063 CIQXNALIWHXNCI-CVEARBPZSA-N 426.564 0.607 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1300509192 HIKWXZNYZSUZEI-OAHLLOKOSA-N 438.554 0.876 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303034007 BEHYZLWGCKVCJG-WXVFVKJXSA-N 449.515 0.901 30 10 ICEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316044860 DAIOAHOIZYQGGI-INIZCTEOSA-N 439.524 0.814 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1358872662 XFGHVPVVVIHWJS-CVEARBPZSA-N 425.603 0.372 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359300054 SIXCMQFLYJPXOU-INIZCTEOSA-N 442.524 0.600 30 10 ICEE C#CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1471938187 DRCXLWSKCADLMN-GOSISDBHSA-N 435.546 0.442 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507532334 GVKBRTOBADMRCC-KGLIPLIRSA-N 434.522 0.745 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1507634655 OQTOMGAINAGSFJ-HOTGVXAUSA-N 442.607 0.928 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507756285 YTDNEXRBESGELR-CQSZACIVSA-N 426.568 0.067 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C)CC1 1507902581 KSAMYWWPZBBCNV-WBVHZDCISA-N 426.587 0.964 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1539306844 LDWJCYYMQZNJOG-VGSWGCGISA-N 432.488 0.924 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC)CC1 1539477436 MKGGPNVBEIGHDZ-UHFFFAOYSA-N 441.492 0.108 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1565589853 BEMIPRIVUBRNGW-VGSWGCGISA-N 436.553 0.733 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587851336 IHNHFIRGTKZISY-WDSOQIARSA-N 427.553 0.631 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588055574 XSPLDQDWVJYFMX-IRXDYDNUSA-N 449.577 0.845 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1588645814 CJCXMOKVVAEQAJ-OAHLLOKOSA-N 444.579 0.234 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)COCC)CC1 1588742820 VMHJYERCEXWJNY-INIZCTEOSA-N 426.587 0.706 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCCO)CC1 1595788925 KTALMGDLSCLOEW-INIZCTEOSA-N 425.555 0.819 30 10 ICEE CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2C1 1622634104 JTLGCLPDTRAZGM-XJKSGUPXSA-N 429.545 0.212 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cnn(C)c1 1623603029 SDEMBUWNXFBOMF-NJDAHSKKSA-N 436.516 0.516 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)CC1 1627241502 JYPFHQUERNKDFW-FQEVSTJZSA-N 446.577 0.588 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 1667556073 VYLLYACYHYMXKV-MRXNPFEDSA-N 433.534 0.669 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690171251 XYWFQOBYMDCPPL-IAGOWNOFSA-N 445.593 0.338 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1690206632 WFYBXSYIMJXUKD-IPELMVKDSA-N 425.555 0.764 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690678113 LJISDZYOVMMTKI-GOSISDBHSA-N 447.584 0.812 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1691003615 JMCLWGOLYMFGPW-KLHDSHLOSA-N 426.543 0.632 30 10 ICEE CS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1698320485 HEYBWCCQJVYVNT-MAUKXSAKSA-N 436.469 0.782 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1705581139 XYEZOYJOSNSJRX-UHFFFAOYSA-N 427.472 0.925 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)CC1 1705642003 CISGIPOVPNGXKS-UHFFFAOYSA-N 449.559 0.862 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](F)COC 1705674533 LBBXYNKWILUKCP-IIDMSEBBSA-N 429.518 0.588 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705907524 PFUILSATYGDYOY-FQEVSTJZSA-N 443.533 0.431 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1712874758 BNYHEHIXWUPRLU-FZKQIMNGSA-N 433.469 0.802 30 10 ICEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722687393 WYCXSBWXXJCXAH-UHFFFAOYSA-N 438.536 0.587 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622079 TXWZDVKMEZGBGR-DOTOQJQBSA-N 447.565 0.610 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)CC1 1740706650 YXPZUQZROQRAPE-MSOLQXFVSA-N 444.536 0.391 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1740877213 UVKKWZBAODJPOF-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NC(C)C 1747186571 AFMKECFSZXBLHL-UHFFFAOYSA-N 429.529 0.579 30 10 ICEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747608959 ZCORMASPYIJUJZ-UHFFFAOYSA-N 431.522 0.657 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748647091 IPGZYLALKDHYLA-SGSUVNPSSA-N 428.493 0.915 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1748670932 DZMAMJVMUAYQFV-YOEHRIQHSA-N 427.530 0.972 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748818433 ZPTCWVNISZOYRO-DLBZAZTESA-N 435.550 0.325 30 10 ICEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1750330338 BAOLSTZVIGUKKY-KGLIPLIRSA-N 430.556 0.093 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760186147 AXYPSIAPVVZMGU-SJORKVTESA-N 437.566 0.715 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760272790 VVBZNBKYZUKCAL-AWEZNQCLSA-N 428.584 0.253 30 10 ICEE C=CCN(C(=O)c1cn([C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)[C@H]1CCN(C)C1=O 1849736863 WTKCKUKFQMEPCK-JSGCOSHPSA-N 428.415 0.863 30 10 ICEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)n1C 2315521785 DTWAZJNHZHRADR-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE CCC[C@@H]1O[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=CC3=O 257575200 VUCLOMKZKFWQMS-WJDBCYRKSA-N 434.441 0.302 30 10 ICEE COC(=O)C(C)(C)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 428047752 ZQAYPYICVXITDY-KRWDZBQOSA-N 441.488 0.859 30 10 ICEE N#CCSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 506108276 RZBMNEQNYMRCCU-UHFFFAOYSA-N 439.563 0.435 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 514835487 HWSFXVXTUYLOEC-UHFFFAOYSA-N 444.582 0.417 30 10 ICEE N#C[C@H]1CN(C(=O)c2ccnc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CCN1C1CC1 746247843 PIPGHOSEDPCVOY-PMACEKPBSA-N 433.516 0.706 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767873654 VJEVBDHZYDEJHL-CYBMUJFWSA-N 448.595 0.624 30 10 ICEE C[C@@H](C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)n1cnc(C#N)n1 798741413 PPAGNEVLCVHBPE-AWEZNQCLSA-N 443.439 0.176 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(I)c2)CC1 1152968112 ZIFPUJOOAJUXNA-UHFFFAOYSA-N 433.271 0.517 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 1155495042 SOFAMLHBIFPYQO-UHFFFAOYSA-N 433.104 0.791 30 10 ICEE CS(=O)(=O)C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1198231282 VBUVUQMPECGYAG-MOPGFXCFSA-N 438.525 0.280 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)c1C#N 1269303689 YCQLUHIEBWEGME-INIZCTEOSA-N 444.536 0.829 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1286381926 PQKBHMXMJCXRAN-KRWDZBQOSA-N 435.550 0.734 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1286430901 KTEIKDLKAVLNBA-QYZOEREBSA-N 449.577 0.747 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1286447906 OYIMAPGIUPPCFI-MRXNPFEDSA-N 436.538 0.978 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCCO 1286516702 KVQHZVHVFBRPIY-FUHIMQAGSA-N 438.598 0.727 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1301258292 PGKKJPNRZZUARO-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE CNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315011745 XAVRFCZJHXDIMS-SBCIHWNMSA-N 443.508 0.618 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358994156 GJKIGBUMOMYPBW-HRAATJIYSA-N 429.546 0.654 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1359304742 IBBLZVZSBCQEQC-NRFANRHFSA-N 428.493 0.870 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359337628 XCOHPLIUYOFSDV-GUYCJALGSA-N 428.584 0.524 30 10 ICEE CCOc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1470402205 AMHPZIRMQJIZCO-OAHLLOKOSA-N 444.517 0.763 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(N)=O)c1 1519450620 QVLZLMPCSDWULY-KSZLIROESA-N 426.477 0.878 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539202153 GKVQVAJUSGWWJD-IAGOWNOFSA-N 437.566 0.667 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)CC1 1539446808 JLQMMAANPCVMHL-OAHLLOKOSA-N 434.522 0.118 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1539668746 DJEFMQZZSQKZIV-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1540035694 HDRAKYYZPFIFTC-SJORKVTESA-N 425.555 0.878 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCOC2)CC1 1588891820 UHVBBERQLNHXKF-HTAPYJJXSA-N 431.537 0.933 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1)C1CC1 1595058139 BOXKPNTXOKTAFT-LPHOPBHVSA-N 441.554 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1595784597 JISKWOZOCLPMBA-UHFFFAOYSA-N 434.522 0.236 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)C1CC1 1629970324 GOWFSXQUISUGBA-UHFFFAOYSA-N 427.548 0.979 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1631133052 NKGLRSZKMSISEO-OAHLLOKOSA-N 431.559 0.267 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)CC1 1634706882 LWPRHMAZMGPKIN-UHFFFAOYSA-N 435.428 0.318 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1639962070 LDMSLLICMQWSFH-LJQANCHMSA-N 444.513 0.730 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)OC)ccc1F 1644124033 VSCRAWFKXBKTLI-AWEZNQCLSA-N 430.454 0.715 30 10 ICEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1645267879 REACUJVWJRBVOE-KSSFIOAISA-N 441.531 0.150 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCOc2ccc(S(N)(=O)=O)cc2)c1 1645931915 HNOPYVFFXYXPBT-UHFFFAOYSA-N 430.486 0.974 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)NC(C)C)CC1 1690411070 DLCKLZNAMSNYKQ-MRXNPFEDSA-N 445.611 0.910 30 10 ICEE CCOCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696253292 VQKPSRPFDHPFEX-ZBBYCGENSA-N 445.524 0.646 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1697706929 WNWOJVUNCIKFLY-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562784 KEGYNFDKGWYHDJ-QGZVFWFLSA-N 426.502 0.532 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1705582971 NULZFECSSDNZND-LNLFQRSKSA-N 449.577 0.887 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705895036 RKCGGJPRZNESNC-UHFFFAOYSA-N 427.509 0.715 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722727393 IHOJIBMSZQSKQW-QGZVFWFLSA-N 438.598 0.574 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1 1740646183 RPYHXNKMANRZEU-HNNXBMFYSA-N 428.518 0.498 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740951361 WPTLZCJOTKZNKU-QGZVFWFLSA-N 431.541 0.117 30 10 ICEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cn1 1749856069 CCODYPAKCXKAGM-UHFFFAOYSA-N 436.476 0.556 30 10 ICEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750845034 IBKBLTSIJYTVCS-ROUUACIJSA-N 431.541 0.600 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1752446422 ALQBRXVFUZHQQM-NYHFZMIOSA-N 440.504 0.827 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1760194301 FSJADCQGRLURKL-HYDGNGQDSA-N 447.586 0.888 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCOCC1 1760199232 SBLWCYSMWFJZPX-IBGZPJMESA-N 445.531 0.962 30 10 ICEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760224401 JJVLZPKNQOQQEA-MRXNPFEDSA-N 425.493 0.880 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760517859 AOPLMZPILXNFBE-HNNXBMFYSA-N 441.492 0.478 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760518185 LMMRRAGNHXYVKM-UHFFFAOYSA-N 438.941 0.982 30 10 ICEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)C2CCN(c3nccn(C)c3=O)CC2)CC1 1853502386 XHEVHRYELNIKPV-UHFFFAOYSA-N 447.565 0.818 30 10 ICEE CC(C)(CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O)c1ccccc1 1856845392 DXVZVEDMWYLDRM-GOSISDBHSA-N 432.546 0.953 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCO)c(C(=O)O)cc2=O)nc1C 1857882633 DQZGPPUAPVZMDE-UHFFFAOYSA-N 437.430 0.664 30 10 ICEE CCOCCS(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 467262415 AXXZPWUSIDMLGX-HNNXBMFYSA-N 426.520 0.354 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 604160568 KJIFAPRNZSOKNF-GOSISDBHSA-N 434.610 0.666 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 751974493 OURHNEADJFDJNC-YOEHRIQHSA-N 427.500 0.364 30 10 ICEE COCc1nc([C@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 779701181 ZIXMKZCGMNJCOU-CYBMUJFWSA-N 435.462 0.245 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 781050946 IRVVYVZQBMWNLH-FPOVZHCZSA-N 436.516 0.973 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1178757241 MSMWNCHEFVXEJQ-IXDGSTSKSA-N 443.497 0.359 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1286485523 OWGOQLPDKQUQNX-GOSISDBHSA-N 429.569 0.722 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(CC)S(C)(=O)=O)CC1 1286637299 AZERFJXCTOFIJZ-OAHLLOKOSA-N 448.615 0.716 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CC(=O)N(C)C 1291194600 ANURFHJNQBWPLW-GDBMZVCRSA-N 425.497 0.595 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1300537907 LKYBMOQAMAWFNS-KURKYZTESA-N 435.550 0.499 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1302438471 HHAJPSBTMPJQDI-RDJZCZTQSA-N 449.558 0.875 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1302925199 YKNACUIYNHTZGC-KRWDZBQOSA-N 436.534 0.864 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)C1 1303939281 CAMFMOBBQOADBI-VQIMIIECSA-N 440.570 0.904 30 10 ICEE C#CC[C@]1(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CCCN1C(=O)OC(C)(C)C 1304086397 LCFFRTDFMUELMD-GOSISDBHSA-N 425.511 0.759 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1358893261 QWICSPOGEYSYMH-OAHLLOKOSA-N 429.506 0.829 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359303203 HLODRWZBWNGIAQ-APWZRJJASA-N 429.569 0.522 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(F)c1 1360712587 AYJGAZMGUPQTAX-BBRMVZONSA-N 438.485 0.835 30 10 ICEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1441804221 YOSNSUNTKLYHPD-QGZVFWFLSA-N 439.559 0.379 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1449429999 UXBPOUULEBWVMA-BZUAXINKSA-N 439.534 0.401 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1455114144 APUZYLKMJDHFLI-UHFFFAOYSA-N 439.437 0.206 30 10 ICEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CCN(C)CC1 1472071800 FRHIDXSZFWFOFP-GOSISDBHSA-N 435.594 0.990 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N[C@@H](C)CC)cc2)CC1 1477420820 ACOLKORDTLGNDO-INIZCTEOSA-N 435.550 0.510 30 10 ICEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1504905151 LTVKZVYCOUQQDG-WBVHZDCISA-N 445.549 0.858 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1507671304 IMWLMACHVBDDHT-SFHVURJKSA-N 433.534 0.421 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508329538 WYKUTUFIUUFLIL-JXPGLKHUSA-N 443.508 0.761 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@@H]1F 1520706676 NPKMCKVVSZXGME-UHOFOFEASA-N 438.485 0.918 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1539015664 QLQIUFHVZCZXBN-XHSDSOJGSA-N 445.536 0.994 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1541117005 YGQXJKCFDHKNRS-GJZGRUSLSA-N 431.584 0.991 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1544571356 FHBDOZSSJPOBPB-HZPDHXFCSA-N 442.520 0.966 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)s1 1556666163 TXNGPFDAZBIGBR-GFCCVEGCSA-N 433.552 0.757 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588053819 IGEFZHAMCBGYIY-RBUKOAKNSA-N 449.577 0.667 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2nnnn2CC1 1630220164 LVWAULIMPAOKJF-AWEZNQCLSA-N 431.522 0.793 30 10 ICEE CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1663307078 GCUQUAHKOCKYAP-UHFFFAOYSA-N 441.304 0.230 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 1667496140 RSIUBRNZFJZFHL-UHFFFAOYSA-N 448.484 0.296 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1667864309 TZRCYVGDAFLNLB-IRXDYDNUSA-N 435.550 0.917 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1689876828 JIMBDMKXEIIXLD-UKRRQHHQSA-N 437.526 0.961 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689988582 RXLLGJVYVLPKGH-VQIMIIECSA-N 434.522 0.111 30 10 ICEE C#CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186446 QHUNBKYNEFCNIX-OXQOHEQNSA-N 437.566 0.636 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1690313096 LBRRMHXGRFQGHB-QGZVFWFLSA-N 443.570 0.412 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)CC1 1690397279 ZRYVEUKQFHSHPC-CQSZACIVSA-N 426.543 0.150 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568066 GQEVPCLCTAYYHE-QGZVFWFLSA-N 449.577 0.844 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)[C@@H](C)CC)CC1 1705633058 IJZXWGJCPFXQJQ-DLBZAZTESA-N 425.603 0.374 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1706640318 YEZYWSMEPHGHDD-ZZEZOPTASA-N 438.492 0.827 30 10 ICEE Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707900292 NZFSUDGYAFXBEQ-BQASMSSTSA-N 449.537 0.117 30 10 ICEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1709128160 FLYYBYOLXQMGJP-UHFFFAOYSA-N 431.566 0.974 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722364128 XRSGNUWAWLQSBN-HKUYNNGSSA-N 446.529 0.996 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1722368500 REZRFMFRCDSQCU-MBOZVWFJSA-N 440.566 0.586 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(COC)CCC2)CC1 1722432730 ZUAFQFLPEMJGFE-KRWDZBQOSA-N 438.598 0.850 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1722681057 FTZKYLDYHXPLIY-INIZCTEOSA-N 439.542 0.032 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1722699084 RGRAMJPLCWCNST-JYJNAYRXSA-N 440.570 0.396 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1740678436 MIQUYIPQOWHCDZ-INIZCTEOSA-N 446.533 0.836 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1760182543 KLMIWCZPQJGEDB-NVXWUHKLSA-N 435.554 0.592 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760440511 LLVCOISGAYVMLH-IRXDYDNUSA-N 437.566 0.974 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1760516965 YXDWDKNGLZMZIC-AWEZNQCLSA-N 448.549 0.762 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760518483 VXSUARMEYKMWRR-AWEZNQCLSA-N 428.493 0.931 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1760565786 FAYNGAQQIDHQDK-OAHLLOKOSA-N 443.595 0.394 30 10 ICEE CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1770640709 HJQTUJIUVCZYCX-GJSVEYNCSA-N 443.508 0.617 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 517754558 ROOJSARCTQZDCU-UHFFFAOYSA-N 427.299 0.561 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)cc1 556251489 AZQGBKZZBWSLFO-UHFFFAOYSA-N 440.525 0.793 30 10 ICEE O=C(NN1CCOCC1)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673739 QUKLACDJUHUNSX-DZYWVNKRSA-N 435.440 0.998 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1 604165027 WOCAWEOAGAJHNH-UHFFFAOYSA-N 442.564 0.719 30 10 ICEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604297864 URVZTTXEEPWYSM-UHFFFAOYSA-N 428.536 0.109 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn3ccccc23)c1=O 732663286 OEWOGWUIPYIKCT-UHFFFAOYSA-N 425.539 0.656 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCOC 772898492 FLAFVZRFRIAHBU-UHFFFAOYSA-N 438.509 0.370 30 10 ICEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)ccn1 795975965 KYLFDYWPSARUFS-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCn2cnnn2)c1 1286309378 KTOFCIHOWGWRKM-QGZVFWFLSA-N 448.491 0.362 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286789350 FGNDHKDUIBNRPJ-HNNXBMFYSA-N 443.533 0.705 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1300465409 MFRLMOBAHYWSJV-CABCVRRESA-N 431.509 0.606 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300497303 AHSNOGSWAHEBIU-QGZVFWFLSA-N 440.533 0.560 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCNS(C)(=O)=O 1300643192 YCJXQGXIYMTVOC-UHFFFAOYSA-N 436.513 0.744 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1300884672 LMPPXIFFJFCWME-MDYRTPRTSA-N 446.552 0.942 30 10 ICEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301173845 KBKKMBHIEZPKFT-LSDHHAIUSA-N 448.615 0.715 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1301520779 OVAONMDQGPSLIV-HNNXBMFYSA-N 447.540 0.931 30 10 ICEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1315536465 GAEUMIQSABODPM-SFHVURJKSA-N 442.476 0.453 30 10 ICEE COCCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1316137189 DCTJVBKQCAMIEG-JHBCHSCWSA-N 443.552 0.914 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959273 FSPQWSGTMAKCPP-IERDGZPVSA-N 446.529 0.732 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1359018945 HAEDJSLIPGDPIC-XLIONFOSSA-N 440.566 0.841 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1359304243 RJXVOBNWCMTRAV-INIZCTEOSA-N 426.525 0.820 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C1=O 1436055464 VPTKRWYDQOJIFU-OAHLLOKOSA-N 428.532 0.364 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(Cn2cnc3ccccc32)C(=O)OC)C1=O 1472111917 FPGWCSLHMBQLBP-FQEVSTJZSA-N 427.417 0.061 30 10 ICEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1503620261 RNJYDZGHRRXZOU-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1538583509 VVCWTGXWDKDGKO-UHFFFAOYSA-N 437.518 0.743 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539619769 HXKJUDQXUVGRSU-ROUUACIJSA-N 432.525 0.075 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1584756785 UXHFLWXVQQZBEO-OALUTQOASA-N 430.553 0.839 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1588024570 HAFJIGCYGXGMNQ-KRWDZBQOSA-N 445.549 0.428 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1OC 1588083814 KDAALTGFHDUANC-AWEZNQCLSA-N 433.538 0.314 30 10 ICEE CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1588157553 CIROVLKLRRRANW-UHFFFAOYSA-N 434.499 0.503 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNS(=O)(=O)CC 1614023776 KSBHOUHCQOKDML-UHFFFAOYSA-N 449.585 0.410 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)s1 1629571534 NPMAORSCMUPLEF-HNNXBMFYSA-N 442.607 0.814 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 1636475571 NTRCWTSCWITQFU-QGZVFWFLSA-N 433.534 0.542 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1689908147 YABWDOOMCCXRNC-GOSISDBHSA-N 427.553 0.670 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1689965740 CCZJYFIYFLXJKW-MRXNPFEDSA-N 441.554 0.124 30 10 ICEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690317161 SXYASTAGUOEBFX-MRXNPFEDSA-N 445.549 0.374 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690670490 CNCFRHJBZGBMSN-GOSISDBHSA-N 447.584 0.465 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1690670653 GOHDDDRHBDJXBF-OAHLLOKOSA-N 441.554 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1690715874 XBUOCRYZPHPXHO-RFBLXINOSA-N 443.595 0.724 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1693546919 GOKYFSVGKPOPAL-VLIAUNLRSA-N 444.517 0.033 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1705829743 BLQDKPBMATYXTD-HNNXBMFYSA-N 446.595 0.786 30 10 ICEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1C 1722385300 DQKMYHMJGBCUQH-UHFFFAOYSA-N 443.559 0.892 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1722640840 SEKDIAWJQYIQON-IAGOWNOFSA-N 440.570 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1740989355 KKKDBOWSKGKZHR-UHFFFAOYSA-N 441.579 0.898 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748812629 YHTGUWPYFYMOLI-MRXNPFEDSA-N 447.565 0.610 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749660401 OJJNRQFFXCPXMS-YOEHRIQHSA-N 440.504 0.979 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C1 1749721407 JARBPZQYMYQLQQ-LNLFQRSKSA-N 435.525 0.642 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1760698221 DWFWCTNNTLHBLC-GFCCVEGCSA-N 425.540 0.415 30 10 ICEE C#CCN(C1CCOCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286040759 LCIYKIWBDOKRJJ-GOSISDBHSA-N 438.502 0.898 30 10 ICEE 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 2298016344 UQIXGLWNYOGQFU-YHUYYLMFSA-N 441.525 0.750 30 10 ICEE COc1ccc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c(OC)c1OC 409534096 HAWYVEBJOWVXMV-MRXNPFEDSA-N 440.522 0.299 30 10 ICEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 462446712 RXSIIGXHDZUPAG-UHFFFAOYSA-N 434.927 0.095 30 10 ICEE CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508691406 NAYVZQVGVXRQFC-LJQANCHMSA-N 426.521 0.859 30 10 ICEE CNS(=O)(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 509076631 GGJHGWYNCLHIJQ-INIZCTEOSA-N 437.547 0.574 30 10 ICEE N#Cc1ccccc1CSCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 511036006 XKFRDDXNBDUTQA-UHFFFAOYSA-N 431.562 0.977 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)CC1 530594610 KTNBJFOMSFWIBC-HSZRJFAPSA-N 439.516 0.432 30 10 ICEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 604523201 NDNIOTJKYACUJM-UHFFFAOYSA-N 440.481 0.778 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 786487396 BDPYOZLQIPXHFD-UKRRQHHQSA-N 429.520 0.440 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC3)CC1 803415728 LZEDMHBBXOWNAA-UWJYYQICSA-N 436.516 0.555 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)c1 1136282106 YOMWYSHTNUFZBU-HDWJXOOESA-N 444.517 0.868 30 10 ICEE C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1165638761 YDVJPKSJZBCQDS-HSZRJFAPSA-N 430.420 0.852 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)N(CCC#N)c1cccc(C)c1C 1174975554 MAYUHQGNAPTDEA-WMZOPIPTSA-N 441.488 0.718 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H]12 1225936871 GMPSXHJKUWHVSA-AHDPXTMNSA-N 428.511 0.199 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)CC)CC1 1286492096 HAJXOIBXPHTDQP-HKBQPEDESA-N 445.593 0.874 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286507698 BTQZNBPVMMFZIV-MCIONIFRSA-N 426.520 0.661 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286787550 WIYWPFQYSWMJLQ-UHFFFAOYSA-N 442.524 0.056 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1300744789 AHMWJQWRUKXIPW-AWEZNQCLSA-N 425.522 0.987 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301478833 PFQUJULATPHMFF-NWDGAFQWSA-N 438.476 0.969 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1301959250 FNCAYGDUGNIGSU-YJYMSZOUSA-N 433.490 0.819 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1303474267 GVLZCXKXFULKPI-HXUWFJFHSA-N 433.465 0.449 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC 1359015607 ZAXAQLLSEQWGEL-UHFFFAOYSA-N 448.524 0.842 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1359035763 DCCFMEMIKLTEDS-OAHLLOKOSA-N 431.509 0.607 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1359048460 RDKUDBUEYONBIE-UHFFFAOYSA-N 426.550 0.997 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359216090 OZJHAALKNGSKMR-CABCVRRESA-N 436.538 0.619 30 10 ICEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1468452019 FMNUQFFKCGCDHD-MRXNPFEDSA-N 429.495 0.080 30 10 ICEE CN(C)CC#CCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1471630580 WAIRKKBCGNDPMK-UHFFFAOYSA-N 436.534 0.429 30 10 ICEE C#CCN1CCN(C(=O)CN2C(=O)c3cccc(Br)c3S2(=O)=O)CC1 1473097873 NMBIEFLSODBWKZ-UHFFFAOYSA-N 426.292 0.371 30 10 ICEE CCc1nnc(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498853146 UEGKFTXOIBFETJ-ZVDNPCSMSA-N 443.552 0.914 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539225399 NMTLXRINPRJQBI-GHTZIAJQSA-N 445.545 0.696 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1539629743 YEORJELVRHEIOI-APWZRJJASA-N 429.525 0.955 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)s1 1556961776 JOJVOGCEFREQJJ-KGLIPLIRSA-N 434.561 0.169 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C1 1595674244 OFRCCEWGJVKKON-GVDBMIGSSA-N 442.586 0.390 30 10 ICEE C#CCN(C(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)[C@@H]1CCS(=O)(=O)C1 1628182694 KBIBSDGDXACOAV-MRXNPFEDSA-N 430.486 0.954 30 10 ICEE N#C[C@]12CN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)C[C@H]1CS(=O)(=O)C2 1672000754 FXFOUUHAUUEVFK-FXAWDEMLSA-N 432.502 0.239 30 10 ICEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCCO1 1686184684 ODRDEPYQXLAHOL-OWCLPIDISA-N 429.539 0.891 30 10 ICEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)c1 1687347289 YPUDQBQCEBWASU-JOCHJYFZSA-N 441.488 0.546 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690433033 RHBFIXMIRRELHN-MRXNPFEDSA-N 429.529 0.720 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1690663330 SMQMWVVYPXVRQR-MRXNPFEDSA-N 448.549 0.723 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1690715873 XBUOCRYZPHPXHO-QXKUPLGCSA-N 443.595 0.724 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705474622 DGBOHRFZOMFGSI-QZTJIDSGSA-N 429.569 0.915 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705532913 SCJNNKCNRSHHTM-HUUCEWRRSA-N 429.568 0.112 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1705938496 AGJCDTDPZKKIGG-MOPGFXCFSA-N 441.554 0.233 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1722296648 SYIYUHNTHMHOGE-QAPCUYQASA-N 433.534 0.610 30 10 ICEE C#CCN(c1nnc(C)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1722362340 AJNIVQLOQLXMCU-CQSZACIVSA-N 427.328 0.872 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722365222 CQBAUUHLGLZWPZ-QWHCGFSZSA-N 431.465 0.485 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1722617772 MGLPCVWJQRDBTR-CABCVRRESA-N 427.527 0.577 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1722703169 WQQIRDHNNLACME-JOCHJYFZSA-N 442.495 0.940 30 10 ICEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1728202919 GNNSLHQIODREDN-UHFFFAOYSA-N 432.492 0.855 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740635974 STOLXUUMOMPDRC-NRFANRHFSA-N 444.513 0.585 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1740679805 KHXRSDPIOAQEBW-IERDGZPVSA-N 447.561 0.808 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748814369 DUTAUOGIZGVRDJ-DOTOQJQBSA-N 440.591 0.997 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1748815414 QDIIWNGXFGYBFW-MRXNPFEDSA-N 445.549 0.716 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1748892590 SFMCSXWSGSDJDK-SFHVURJKSA-N 431.562 0.508 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749721760 SSVXWMXZQRAQCX-ZIAGYGMSSA-N 439.494 0.229 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760183325 ASCUUHMOBIIBBT-GHTZIAJQSA-N 429.546 0.638 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1771347426 GDLWXGQBSLLDNL-KRWDZBQOSA-N 444.517 0.299 30 10 ICEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C(=O)C2)C1 1856865708 AYQKQVJZMSUJDF-ZWKOTPCHSA-N 438.594 0.512 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)CC1 1890540659 KCSZVKMISPTQDA-MRXNPFEDSA-N 440.529 0.960 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628099 CZAACNBEAKMZFF-UONOGXRCSA-N 436.318 0.809 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCCC12OCCO2 2282287649 CLIAXCOKFUTJAJ-LBPRGKRZSA-N 428.320 0.078 30 10 ICEE C#CC(CO)(CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 2290352346 UMDRCHFDQMEXJK-UHFFFAOYSA-N 428.102 0.429 30 10 ICEE Cn1c(=O)c2ccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)nc2n(C)c1=O 479313421 NIOMKTLPOAUXNG-UHFFFAOYSA-N 432.484 0.920 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCN1CCOCC1 482570607 ZBXAQHODJYQEQB-UHFFFAOYSA-N 442.566 0.903 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCc3ccco3)CC2)cc1 501243246 IDWHUSIMXFILGU-UHFFFAOYSA-N 430.486 0.985 30 10 ICEE Cc1nn(C)c(N2CCOCC2)c1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506790278 PXSZPSCZLLEUSB-UHFFFAOYSA-N 444.561 0.943 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1 522286795 WTCUFCAPGZIULB-OAQYLSRUSA-N 428.581 0.605 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1-c1ccccc1C#N 525173609 JEZDXRDFAZKGNV-UHFFFAOYSA-N 441.472 0.900 30 10 ICEE CN(CC(=O)N1CCOCC1)C(=O)COc1cc(C#N)ccc1I 540807538 BOMJIRLDDZQITQ-UHFFFAOYSA-N 443.241 0.859 30 10 ICEE O=C(CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccccc1 732464849 BLKSZLRQWQLSQK-VXPUYCOJSA-N 426.477 0.479 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)n1 788624719 CRZLPOAIUDJFFC-UHFFFAOYSA-N 429.481 0.252 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802142531 CDJSQXVNDBTXPZ-FZFLATATSA-N 427.461 0.492 30 10 ICEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2Cl)C[C@@H](C)O1 816694188 AFUOSMULSDNDKR-GYSYKLTISA-N 431.898 0.858 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286607722 JYMGTGTYKWOZIS-IAGOWNOFSA-N 425.555 0.878 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286820890 UOYQJBXTCOUVIV-SJORKVTESA-N 441.554 0.462 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1299094351 CYJUYOUTJLSILW-MRXNPFEDSA-N 435.492 0.868 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4c(=O)[nH]ccn34)CC2=O)cc1Cl 1303587618 GJCBHIGCRZEROL-LBPRGKRZSA-N 425.836 0.654 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1358985335 WLCAOJXYGRAUIN-HNNXBMFYSA-N 443.595 0.565 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(COC)c2)CC1 1359029303 UCWACYGACAFQKG-KRWDZBQOSA-N 446.577 0.838 30 10 ICEE CC(C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359727489 WMMSVHVDSDURGU-FKQWUUPDSA-N 427.509 0.985 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2c(CNC(=O)OC(C)(C)C)cnn2C)CC1 1474681368 FBGOZCOBYUWFIZ-UHFFFAOYSA-N 426.543 0.030 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1499306927 BVQRZQVXTGVGQG-UXPDKRSESA-N 438.492 0.525 30 10 ICEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C(C)=O)CC1 1507686523 DJBPMOXJOMATGC-UHFFFAOYSA-N 427.509 0.629 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507836357 IGYWSWJPATVQKP-JOCHJYFZSA-N 446.552 0.822 30 10 ICEE CN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1517197803 IUMLRVSHAMVRDD-DCOQFNDQSA-N 434.522 0.553 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539079555 VPTRPRMYEIGEQL-GOSISDBHSA-N 441.580 0.993 30 10 ICEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1Br 1561571397 GUTPRGRLMGPJFH-LBPRGKRZSA-N 427.273 0.288 30 10 ICEE C=CCN1CC[C@@H](N(C)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1=O 1568184364 PVAPXUABDCKAHR-STXHMFSFSA-N 441.550 0.513 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nncn2C)c1 1587697408 PSRJZODOGPXMEN-UHFFFAOYSA-N 447.503 0.634 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1588645762 CDGZNGVZZVNRSA-ZACQAIPSSA-N 426.539 0.318 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1595823719 RXVQMFUZLMRQIT-AWEZNQCLSA-N 437.497 0.909 30 10 ICEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 1618705006 DQRVDPWQAFYPGQ-DOTOQJQBSA-N 425.942 0.964 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cscc2Br)CC1 1622498829 XNTRGXGFWYQYHN-UHFFFAOYSA-N 428.355 0.285 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3noc(C(F)F)n3)cc2)CC1 1632965993 HLOFPVFJCCSBCP-UHFFFAOYSA-N 425.417 0.900 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2=O)cc1 1640128222 GRKISNZMGYUHGB-CEXWTWQISA-N 425.489 0.821 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 1644284684 CCCDPSBTBVSYRE-UHFFFAOYSA-N 427.548 0.023 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1689966011 IOLUTRJOKMWULR-HOTGVXAUSA-N 439.538 0.224 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1689982035 GPVJNCTWHMCQIM-KRWDZBQOSA-N 436.501 0.620 30 10 ICEE C#CCN(c1nnc(CC)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689992591 MOHZETFQISCHRH-RTBURBONSA-N 436.626 0.741 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1690111478 CGBBJANCINTJQH-VGSWGCGISA-N 430.553 0.768 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)CC1 1690667301 YPLVXYHZXMSUDF-UHFFFAOYSA-N 428.493 0.744 30 10 ICEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705729451 YMMDJXPBCAKDGZ-ROUUACIJSA-N 446.552 0.849 30 10 ICEE CCN1CCN([C@@H]2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)CC1 1710288785 UCQAVVSRKIWHCQ-NHKNDPDJSA-N 428.541 0.329 30 10 ICEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1711267045 BDTZMXVDZIUHMN-UHFFFAOYSA-N 440.533 0.921 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(OC)CCOC1 1712562001 NGSNHVPEBFAVOL-HGHGUNKESA-N 434.541 0.984 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1722689437 TWLZWTPNJRZXRD-LLVKDONJSA-N 436.314 0.660 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCN(C)C 1723940740 CVJAOPQNODHFSQ-MAUKXSAKSA-N 427.575 0.597 30 10 ICEE C[C@H]1CSCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726753545 YPRNBFFUFQKEJS-DCOQFNDQSA-N 445.549 0.982 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1749066238 INHPTLGRKYFRLW-WIYYLYMNSA-N 448.593 0.865 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1749411790 GNJJVMMFELRCJO-HNNXBMFYSA-N 427.575 0.065 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749663683 MWJKGANMCNXEEJ-KRWDZBQOSA-N 441.540 0.563 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750011978 FKLCWJLNQFVNLD-KIJUOZEOSA-N 431.497 0.269 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1760296009 XRRJMEPREFXIEN-GPMSIDNRSA-N 425.555 0.886 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1770751756 MGCXUMUXVOGHHY-LSDHHAIUSA-N 442.567 0.237 30 10 ICEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)CC1=O 1856351781 UARINKDHVISHMK-IRXDYDNUSA-N 437.562 0.297 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3OC)[C@@H](C)C2=O)CC1=O 1856863294 JXJSDUQVQRFQKZ-GJZGRUSLSA-N 435.502 0.478 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405653 SIXMMGMZRDNZPK-GHMZBOCLSA-N 440.331 0.737 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2310482154 GLCRYFGFEAHLEH-MTQWCTHYSA-N 444.532 0.954 30 10 ICEE C=C(Br)CS(=O)(=O)N1CCNC(=O)[C@@H]1C1CN(C(=O)OC(C)(C)C)C1 2326748857 SFEXZOKFKZNIEU-LBPRGKRZSA-N 438.344 0.892 30 10 ICEE O=C(O)COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 254478719 MPHNPFRSJBMIFD-ZIAGYGMSSA-N 430.479 0.566 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)CN3CCCCC3)CC2)cc1 434451368 BFQLNMMVARHJEV-IBGZPJMESA-N 434.562 0.922 30 10 ICEE COc1cc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)ncn1 461347026 ABQCUWFLGYXCQN-UHFFFAOYSA-N 426.481 0.124 30 10 ICEE C=CCOC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OC 481752817 DMYFFIKWTILLSY-GJZGRUSLSA-N 429.495 0.553 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 499716608 ACRPJTOTQYCJKO-QGZVFWFLSA-N 428.489 0.257 30 10 ICEE C=CCN1CC[C@@H](N(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1=O 500023887 JVRQNCUAPJNSHY-QGZVFWFLSA-N 439.516 0.562 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccnn2)CC1 508497756 NHFQODJTDDRJHV-INIZCTEOSA-N 448.553 0.668 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 512710235 PGDGLWOKFYICEP-FHWLQOOXSA-N 430.549 0.799 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 512725864 QQFJGHRKUKDXOM-KRWDZBQOSA-N 441.557 0.867 30 10 ICEE CC(C)CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 515586019 BAPURQTYXLXACE-INIZCTEOSA-N 427.548 0.850 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 543149426 VSHBHHTTWYFXIR-GFCCVEGCSA-N 441.538 0.761 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 549290002 FLBLNKDVDQHNTP-PMPSAXMXSA-N 429.543 0.427 30 10 ICEE CC1(C)Cc2cc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)ccc2O1 729671333 GJXNNXRGCANXTM-UHFFFAOYSA-N 436.537 0.982 30 10 ICEE C[C@@H](CC(=O)NCCC1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 768502783 AWBFNKCXTYBBCM-ZDUSSCGKSA-N 427.548 0.835 30 10 ICEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC)[C@@H]1CCS(=O)(=O)C1 812026000 HGGNYZBCIZBEDB-CQSZACIVSA-N 436.563 0.885 30 10 ICEE Cn1ccn2c(CNC(=O)C3CN(c4ccc(Br)cc4C#N)C3)nnc2c1=O 1153737725 YWDBNJDIWMUOPJ-UHFFFAOYSA-N 442.277 0.815 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286793239 ANVPDUFEUDGJMX-UXLLHSPISA-N 441.554 0.318 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300363265 CYZCGRMOWYHZKE-KRWDZBQOSA-N 448.593 0.384 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300710886 PBHRJNXZRLPHAG-ZWKOTPCHSA-N 444.536 0.020 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301568087 NQFHMZIBWFJKCD-AWEZNQCLSA-N 440.570 0.464 30 10 ICEE CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1302468566 FBOSHVQRJNYBOT-INIZCTEOSA-N 426.499 0.756 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)CC1 1309227337 FPTPCEUWJBJIAQ-KRWDZBQOSA-N 446.573 0.993 30 10 ICEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1310074266 DFTWZXYDSGIFKO-MRXNPFEDSA-N 436.534 0.813 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358965427 VAZFLSUVFYMWEI-ZWKOTPCHSA-N 431.518 0.306 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359303074 CTLNHYXNGPFJAL-INIZCTEOSA-N 433.534 0.825 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359307058 ZJZVXHMNSYERJH-QGZVFWFLSA-N 433.557 0.422 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1436289824 KVOYYNRBPWTCMV-IAGOWNOFSA-N 430.486 0.799 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 1471450496 BMDKWAJBCPJASQ-UHFFFAOYSA-N 432.344 0.626 30 10 ICEE CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499637288 ATQRDQQDFYCLKZ-DXQAYGFFSA-N 443.508 0.656 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1503254855 PFOYWLBLVZKOGD-SJORKVTESA-N 428.518 0.966 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)C1 1508124659 MADIKYIDEUMZOX-IAGOWNOFSA-N 443.570 0.817 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1587706581 RFOHRJCRWMSUBI-HUUCEWRRSA-N 431.584 0.705 30 10 ICEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588041174 VTGCGFOBXMTELM-KRWDZBQOSA-N 443.529 0.883 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1588140592 ZAYRKYTZXREMQF-KSZLIROESA-N 435.550 0.499 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1588646473 KRKWGVGPMXEVOZ-QRWLVFNGSA-N 435.550 0.277 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1594784205 ULTIUIGJJWHFOA-TXPKVOOTSA-N 443.570 0.865 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)CC1 1622498736 TZCMKUFSSNKMHR-UHFFFAOYSA-N 449.938 0.291 30 10 ICEE CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 1635099065 HFXFVPFBRSREAP-HFGXJBEUSA-N 428.493 0.616 30 10 ICEE C#CCN(C)CCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1670096586 OOWPPLDPWNMZAR-UHFFFAOYSA-N 437.566 0.850 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1689966225 NHNYRKZYBPEWMN-QGZVFWFLSA-N 430.534 0.530 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690660201 BINAAWAVUVMOKO-HUUCEWRRSA-N 440.570 0.322 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@@H]1CC 1690720719 QVCWHTOSBBDBGQ-HNNXBMFYSA-N 447.517 0.989 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1705628288 CCAPCEOMUDZPTF-DLBZAZTESA-N 439.538 0.042 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705662302 VPFMPBIRHJIFCN-XOBRGWDASA-N 432.550 0.963 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1740589964 DPHPYCMXSRWXHK-SFHVURJKSA-N 447.565 0.927 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740695498 UGNHELULCPXXCU-GOSISDBHSA-N 429.550 0.519 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740726417 ZLWFCQSMECSPPJ-AABGKKOBSA-N 438.550 0.472 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCNS(C)(=O)=O)CC1 1748984266 OUXJDIGARMVMGA-UHFFFAOYSA-N 432.550 0.648 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1748991453 XFCUQACYEPBIIW-KRWDZBQOSA-N 443.552 0.851 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 1749303381 JJWKVLYJMXRYTA-OAHLLOKOSA-N 447.583 0.202 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749444728 DLPDWJFJGFWTDZ-KBPBESRZSA-N 428.515 0.122 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCN(C)C2)n1 1760251770 GIPALNMOTXUREG-PGRDOPGGSA-N 443.552 0.331 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760272340 HGMCDYYWXVSWSY-HNNXBMFYSA-N 445.549 0.353 30 10 ICEE CS(=O)(=O)NCCCC(=O)Nc1nnc(CCC(=O)Nc2ccc(C#N)cc2)c(O)n1 1860861283 IUJDYSHXXMNHAK-UHFFFAOYSA-N 447.477 0.288 30 10 ICEE C#CCN(CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1)[C@@H]1CCS(=O)(=O)C1 111045785 MSWVKVJDVHNSDB-VQIMIIECSA-N 431.514 0.980 30 10 ICEE O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCC(=O)ON1C(=O)CCC1=O 165196665 OUSUWQYKZFQMST-PSTGCABASA-N 426.495 0.216 30 10 ICEE CN1CC2(CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C(=O)N1CCOCC1 169787109 SXNRNARPSAEMGR-LJQANCHMSA-N 432.546 0.892 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 446353109 NCOHHMVEVUAZNH-UHFFFAOYSA-N 427.513 0.311 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(N2CCOCC2)n1 477395368 BTKMGVCVIULSJQ-HNNXBMFYSA-N 429.502 0.773 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 607418826 CBKCMSXADGDLEH-PZJWPPBQSA-N 429.565 0.905 30 10 ICEE C#CCN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 731213775 RTBDAJZNNPHKKK-HOTGVXAUSA-N 444.600 0.386 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC1CCN(C2CC2)CC1 767680216 LUDROPNNTZZPSC-AWEZNQCLSA-N 434.518 0.511 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)C1 805755907 MROWTOCXZSVKDN-AWEZNQCLSA-N 426.495 0.996 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccccc1C#N 917798984 JJJGBQMUFVBJTQ-UHFFFAOYSA-N 432.509 0.971 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCCO1 1226724689 MRJJSSZDFXLRQM-IRXDYDNUSA-N 435.502 0.655 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1286376127 FXCPUJPOEVVZSF-PGGUUEOZSA-N 431.584 0.228 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1286410807 WXDWHFIHFPRCJN-QZTJIDSGSA-N 447.561 0.501 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1291279016 GWTBMKFIRDHHNU-HNNXBMFYSA-N 434.522 0.845 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1298775166 BGQAJBRODWGLPP-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1=O 1298871231 GSZFQISIAPNMGC-JOCHJYFZSA-N 437.504 0.766 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1300270113 BECPWFXYQXGWSP-IAGOWNOFSA-N 438.598 0.991 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1300395684 BKOUBLAHOVMFBW-UHFFFAOYSA-N 443.909 0.521 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOCC2(C)C)CC1 1300706710 RJVZADPWSMHZOJ-UHFFFAOYSA-N 429.569 0.267 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC=C)CC1 1300729326 VSTOZTWGBYSAGU-UHFFFAOYSA-N 438.536 0.408 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1301297267 OJWRINGCOQIOHY-LOKFHWFJSA-N 431.584 0.534 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC2(O)CCOCC2)cc1 1302999933 HVZJZTHDHRIDIR-UHFFFAOYSA-N 431.518 0.839 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1358889467 BYLLRPQKGJKRJH-STQMWFEESA-N 443.480 0.709 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358962138 LACIQLONFCERHX-CABCVRRESA-N 449.533 0.915 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359326564 CYXHIOCUQHNKGQ-HZPDHXFCSA-N 426.587 0.936 30 10 ICEE CCOC(=O)CNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1466250122 JZBBJOKBRDICFK-UHFFFAOYSA-N 439.465 0.654 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CCO1 1505322998 VBBQNJDZXRHUNR-CVEARBPZSA-N 436.538 0.215 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1507981041 ILBRPDQQHMKUJD-HOTGVXAUSA-N 435.554 0.692 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1508085692 IJLLIJNNTXEKBA-MRXNPFEDSA-N 426.477 0.821 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508158717 IQIZHUGYXXKLMT-HNNXBMFYSA-N 447.565 0.076 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540901689 MDLUGOQXXQFSAD-UHFFFAOYSA-N 444.565 0.997 30 10 ICEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1569717814 NUFZWNHWWOIDBK-INIZCTEOSA-N 448.545 0.510 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588054085 KPXGOCOWFIBIBN-KGLIPLIRSA-N 445.492 0.528 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 1588198949 CBMBPESDCWMTGU-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1=O 1616492626 SNUJHHYNYFLHHE-QZTJIDSGSA-N 426.473 0.465 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)CC1 1623498961 LCMBKHUEXJSCDP-OAHLLOKOSA-N 427.530 0.851 30 10 ICEE C#CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454206 APVYKMWIRAGZIG-UHFFFAOYSA-N 428.555 0.763 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681300119 DNMFFKYVFNAMHD-SJORKVTESA-N 435.506 0.013 30 10 ICEE C#CCN(C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@H]1CCS(=O)(=O)C1 1687818297 AJBPLECTGKIQEM-INIZCTEOSA-N 425.532 0.923 30 10 ICEE C#CCCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1689906681 QXZZHRLJXPAALX-QFIPXVFZSA-N 432.569 0.944 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1689998407 LKKUOAVZGXZHTI-UHFFFAOYSA-N 430.509 0.783 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)CC1 1690109043 DOVZUBIOGFHDFH-UHFFFAOYSA-N 429.569 0.116 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690726788 LOFRZUVZMCFAMD-IAGOWNOFSA-N 449.533 0.225 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690746600 DTZWJWOUUVEWHA-GJZGRUSLSA-N 425.580 0.910 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1693546917 GOKYFSVGKPOPAL-VBKZILBWSA-N 444.517 0.033 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCS(C)(=O)=O 1693744674 AJIQKNQBXSAADE-CQSZACIVSA-N 441.521 0.695 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705571093 WPMOUISJOUXPPU-WIYYLYMNSA-N 445.545 0.696 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)CC)CC1 1705643691 PASXDYYEURJPLT-PMERELPUSA-N 434.566 0.249 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712891878 OZGQFQXJFMURTK-XXADUYMVSA-N 439.451 0.922 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2ccnc2C)CC1 1722565925 FUZSXGZJRVCNMS-KRWDZBQOSA-N 435.554 0.973 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1722630173 WXUFKEIYUVGBMK-CVEARBPZSA-N 425.555 0.865 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722703080 VDZLLYBSMOJHCH-GJYPPUQNSA-N 446.552 0.799 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740616090 RZBGFZMDRNWMCV-HNNXBMFYSA-N 425.555 0.594 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740617424 QYXSZGFEUMXQOJ-FXAWDEMLSA-N 440.566 0.982 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1748844135 PGTAJVNHZMQOAL-QGZVFWFLSA-N 432.506 0.700 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749039516 VXRBGIIROVNJIG-ZIAGYGMSSA-N 432.593 0.170 30 10 ICEE C#CCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1760159340 CYXPJGWBGRWDSJ-QFIPXVFZSA-N 444.536 0.271 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1760175875 UELMJWZAAJMJGS-MRXNPFEDSA-N 431.518 0.775 30 10 ICEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186606 PCPWQUBUKUYDCJ-MRXNPFEDSA-N 436.559 0.941 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1760554045 PRARKPBJHXIVSI-HNNXBMFYSA-N 441.554 0.665 30 10 ICEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1769660350 CLXJYYWCWMTLOA-IIDMSEBBSA-N 444.533 0.724 30 10 ICEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 1993252134 XAICISSSIMLBJC-QLFBSQMISA-N 429.514 0.915 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402686 ZTGGFPHQPPWMLN-GHMZBOCLSA-N 440.331 0.880 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267165412 FFEZFAHCTKHTIE-GJZGRUSLSA-N 448.329 0.876 30 10 ICEE C=CC[C@@H]1COC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310022 JDYXTERSBJQQFM-ZACQAIPSSA-N 426.491 0.965 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccc(F)cc4)n3)n2C)n(C)c1=O 21077239 POIVEYDQZVXETQ-UFWORHAWSA-N 429.441 0.825 30 10 ICEE Cn1cc(-c2n[nH]cc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 435822257 OABCINQTAMCJIP-UHFFFAOYSA-N 425.474 0.829 30 10 ICEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 460607584 ODGDHSWLNGIRAD-QGZVFWFLSA-N 429.440 1.308 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3cccc(N4CCOCC4)n3)CC2)cc1 553919374 QYAAIAQWGZOOOX-UHFFFAOYSA-N 448.527 0.750 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 771790350 GUEHNZVKQOYYAX-YISVQYQQSA-N 438.440 0.427 30 10 ICEE C#CCN(C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 774190285 AAOJXQQSXKEXSG-ZBFHGGJFSA-N 427.548 0.830 30 10 ICEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800784609 OWADSCIBPNDEGS-MRXNPFEDSA-N 444.517 0.823 30 10 ICEE CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 810777657 LJVLUTNUVIVXRT-UHFFFAOYSA-N 443.547 0.104 30 10 ICEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856531560 VCMTUNIIQPLRSS-JKSUJKDBSA-N 428.470 0.884 30 10 ICEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@H]1CCS(=O)(=O)C1 918754913 JIQDISARWJCKQF-AWEZNQCLSA-N 430.573 0.724 30 10 ICEE C#CCN1CCC(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1155874142 WMOAQIAVVCOCAR-UHFFFAOYSA-N 435.546 0.472 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1157848870 FXYHPUAWIXDHSY-KBPBESRZSA-N 444.435 0.706 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3ccccc3OC)no2)CC1 1253646191 UXFWMIOAGGDDKG-UHFFFAOYSA-N 433.490 0.645 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1286297911 YWXUROURKOJSOO-FUHWJXTLSA-N 449.581 0.973 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1286399781 NYVWQOLUDARDCS-INIZCTEOSA-N 425.518 0.852 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1286726551 FXJJRWJZQYZKOO-KDOFPFPSSA-N 425.511 0.734 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286782014 HQRKJIOJAMZDKJ-FQEVSTJZSA-N 425.449 0.872 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286791184 PAUWTJTZDCXYNF-KRWDZBQOSA-N 442.476 0.981 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1300577729 AAUKSUOMPPTXQH-HNNXBMFYSA-N 445.492 0.703 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1300848352 FFEZJTVJQDKWAK-GFCCVEGCSA-N 432.344 0.791 30 10 ICEE CS(=O)(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1316359966 NLENREWAYNNSRZ-CQSZACIVSA-N 438.485 0.664 30 10 ICEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358925134 VATBUDMGCHTPHT-MRXNPFEDSA-N 438.488 0.523 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359100205 YNBXIERIHANBGI-BQFCYCMXSA-N 430.553 0.995 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507623291 URGMAISZJOOEEJ-OXJNMPFZSA-N 435.550 0.710 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507633636 FNJABWULMPZICV-SFHVURJKSA-N 442.545 0.417 30 10 ICEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1516127626 BDJQSKIHOWDGGI-JTDSTZFVSA-N 440.570 0.808 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1539231152 PHBVNVQJYOYDIP-DLBZAZTESA-N 439.607 0.805 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588924044 URXFAHFVIMKINN-VFNWGFHPSA-N 427.509 0.184 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCS(=O)(=O)CC2)CC1 1594014847 WXDOBZMETILHKS-CQSZACIVSA-N 431.584 0.870 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595821023 AICCJFIWGNFVHQ-GOSISDBHSA-N 447.561 0.615 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1611686319 DPFSUCRPTNKFOB-RLFYNMQTSA-N 443.549 0.177 30 10 ICEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1638626792 SYFBMRLWKAHUSV-QGZVFWFLSA-N 427.461 0.783 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(I)cc2N)c(=O)nc1O 1641970505 LCBZVENKTFNOEH-UHFFFAOYSA-N 425.186 0.437 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccncc2OCc2ccccc2)CC1 1672592381 ZXYOSBWOXQSSKQ-UHFFFAOYSA-N 443.529 0.955 30 10 ICEE N#C[C@@]12CN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)C[C@H]1CS(=O)(=O)C2 1681696043 FXFOUUHAUUEVFK-PXNSSMCTSA-N 432.502 0.239 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1689965867 FLKKGZMMAWMIMS-DLBZAZTESA-N 447.565 0.763 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689988017 HNVWJIOZWWSDPJ-PEGYKEAPSA-N 448.574 0.663 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1689990825 SHBQYHREDIDPET-CVEARBPZSA-N 442.563 0.010 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1690150453 IGKFZGHHTYJVFH-UHFFFAOYSA-N 435.488 0.879 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CC2)C1 1690700862 YZOCKDIMMYCWJX-SPPRZUHCSA-N 428.580 0.873 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1696963406 CYWJTGNHQITLLN-MRXNPFEDSA-N 432.506 0.203 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1696972028 AYSQBSHQQHJISY-QGZVFWFLSA-N 426.477 0.595 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1722384504 RFTVSTIIZFCYQE-INIZCTEOSA-N 425.580 0.825 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C1 1722712883 BBBNZMQWYSLATB-ROUUACIJSA-N 431.541 0.175 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740580963 LWWKWLAEVWUYOK-OAHLLOKOSA-N 431.522 0.857 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740589948 DFMTUKNTFLWQEO-JLTOFOAXSA-N 448.549 0.408 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748825181 WISLCFHITWXUSN-BZUAXINKSA-N 442.563 0.191 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(=O)(=O)CC)CC1 1748979753 LHRQUURORRVRRL-UHFFFAOYSA-N 447.521 0.548 30 10 ICEE COC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749493017 QEOLSGPGYHCFIF-PLGXQAJASA-N 443.508 0.618 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1760137446 KAYHRXYMPOTBAZ-KRWDZBQOSA-N 433.538 0.841 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCOC1 1768997428 JATIPXHSRSSADF-CXAGYDPISA-N 437.298 0.926 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1770190499 ZSKLWXRVOKHHBW-PMACEKPBSA-N 445.568 0.906 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1770728873 VCSBZZYUXSEDNF-APWZRJJASA-N 440.545 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1772660159 JDTCENBHXMHJCX-AWEZNQCLSA-N 447.517 0.942 30 10 ICEE COCCN1[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C[C@H]1C 1855958565 DHSIDKXUVIIYIL-HUUCEWRRSA-N 434.518 0.746 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856271039 GQLNMGHOLLMOHM-GOSISDBHSA-N 434.518 0.422 30 10 ICEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267260531 OTBGKDOTJAEGFI-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE C=CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)CC1 22013827 SHWWNCQEVLNJEH-LJQANCHMSA-N 431.493 0.371 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 437898097 SVBVNSSPAIAPDL-UHFFFAOYSA-N 439.513 0.817 30 10 ICEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 438594303 FFTUWYLLFMZQDH-RZZCCWGQSA-N 446.529 0.795 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN([C@@H](C)C(=O)NC4(C#N)CCC4)CC3)C2=O)n(C)n1 469767497 HKXCIYARZJHMLQ-ZWKOTPCHSA-N 427.553 0.793 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCN1CCOCC1 505662010 NVYMLIZALKRVBF-HNNXBMFYSA-N 443.573 0.402 30 10 ICEE CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 549033962 JURSIBODWDPZCK-QGZVFWFLSA-N 432.506 0.768 30 10 ICEE N#Cc1ccc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nc1 585246134 NXFYUDOMFSYVIL-UHFFFAOYSA-N 428.470 0.878 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@H]2C(F)(F)F)CC1 611178895 OKJHSDXAMSCQRD-INIZCTEOSA-N 446.451 0.654 30 10 ICEE CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 619840575 RNIYRAAGCMZMBP-WMLDXEAASA-N 430.506 0.480 30 10 ICEE Cn1cc(/C=C\C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(=O)n(C)c1=O 790870580 YRJZZOOKCJLIAW-UTCJRWHESA-N 442.375 0.493 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)ccc1F 803576696 UBLQLHDVAHJCCQ-CQSZACIVSA-N 433.527 0.834 30 10 ICEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)[C@@H]1C[C@@H]1C#N 1141342503 PGNVNYAFQLKLPK-TZMCWYRMSA-N 440.909 0.917 30 10 ICEE COC(OC)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1171867612 IXMRWCRWTMWTQK-INIZCTEOSA-N 435.550 0.220 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1286294919 GUMIDWPGAVSQMY-QAETUUGQSA-N 425.555 0.620 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286397845 DAEPRDZEOXAAAF-FRQCXROJSA-N 426.539 0.544 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286779202 FWKYXVZFRDBILO-KDOFPFPSSA-N 440.504 0.979 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1286782061 JGNVXNFEHHIIGQ-UHFFFAOYSA-N 443.464 0.451 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 1297869479 UBQOIXFBKGIPBO-KRWDZBQOSA-N 431.518 0.919 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1300491951 KEIIVLNHKJJYGQ-HNNXBMFYSA-N 426.506 0.452 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@@H](C)CC 1300538008 MTAAGRPEHOIMPW-BZSNNMDCSA-N 437.566 0.745 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCc2ccco2)CC1 1300685587 QRBSZVOLFBOZJS-JOCHJYFZSA-N 442.520 0.595 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCS(C)(=O)=O)CC1 1301124755 LBSHKHQQPZAUPA-MRXNPFEDSA-N 446.595 0.644 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301479223 WSTCYSBBVGUORD-FUHWJXTLSA-N 447.584 0.656 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1301959248 FNCAYGDUGNIGSU-ORAYPTAESA-N 433.490 0.819 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1303407196 BJYTXQCNPCPLKV-UHFFFAOYSA-N 448.535 0.787 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1358889850 HPQZPJSGNRQPDV-DLBZAZTESA-N 440.566 0.850 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1359305721 LGYZLFUTPKGQLJ-GCKMJXCFSA-N 432.525 0.289 30 10 ICEE CC(C)Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1359776515 MKKJTDJFAKULME-IAFNSTAXSA-N 438.554 0.872 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)s1 1444019792 WTFZWQCXIZHMDP-INIZCTEOSA-N 426.608 0.993 30 10 ICEE C#CC[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1470488581 WBSKDNUOVIWVRZ-GOEBONIOSA-N 435.502 0.242 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1471539207 WFDNLKLGRVBBTE-LJQANCHMSA-N 436.578 0.677 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507630578 CNLQENQGPNPISG-KRWDZBQOSA-N 449.606 0.354 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507632023 IBYLSNBFSWGWLE-UWVAXJGDSA-N 438.550 0.952 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1507686407 BLJCTZDCTHCJTB-UHFFFAOYSA-N 443.533 0.684 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(=O)(=O)CC)CC1 1507722957 PNAMFAWSTONLFL-UHFFFAOYSA-N 446.533 0.368 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507852713 CKOVXGBYHJQLNT-NSHDSACASA-N 445.933 0.161 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508125773 IUHSAOOXZVTQMQ-FXAWDEMLSA-N 433.534 0.595 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1508144098 ASBVFJVEYMMBOB-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1538961813 CKBKPOJYPXLXEZ-HNNXBMFYSA-N 430.534 0.928 30 10 ICEE CSC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1539117594 AIVZHFWQQFMDTI-KVMGVCFTSA-N 439.559 0.290 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS(=O)(=O)C1 1594963579 VCADHIOXQSOPAU-HUUCEWRRSA-N 447.583 0.058 30 10 ICEE C[C@@H](CC(=O)NCCS(=O)(=O)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1627963832 DTYRONPGAXPHGJ-ZDUSSCGKSA-N 443.547 0.214 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCOCC2)CC1 1690113939 YMBSCJISZAXQKG-JOCHJYFZSA-N 432.569 0.408 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](COC)OC)CC1 1690148840 WWTDFDQWISYONO-IBGZPJMESA-N 426.521 0.891 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)CC1 1705649341 UBMLAXWDAWBNTB-UHFFFAOYSA-N 447.565 0.141 30 10 ICEE Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707900294 NZFSUDGYAFXBEQ-HEWTWTGNSA-N 449.537 0.117 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn(C2COC2)nn1)[C@H]1CCS(=O)(=O)C1 1722368272 QOPHLMKRTZEXMA-INIZCTEOSA-N 447.565 0.705 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1722383862 KTEZOMSQJPPPBR-SFHVURJKSA-N 434.566 0.170 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCOC)CC1 1722566360 QEDQVPPNAGDSAD-LPHOPBHVSA-N 443.570 0.555 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1NC(=O)CC1(C)C 1722640913 UUXZESUPKKNQEI-KGLIPLIRSA-N 426.543 0.148 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCOCC2)CC1 1740710211 SDHPRZZSGSTJGO-LJQANCHMSA-N 430.553 0.818 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1748673150 ZJXAXAIRVUGZJW-GJZGRUSLSA-N 428.580 0.996 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748752304 UZKPJVPXPJVTPD-CVEARBPZSA-N 443.595 0.359 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)CC1 1748989107 FNJXICHDJWYFAK-OAHLLOKOSA-N 448.515 0.430 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1749193951 UKVADKLPKJVQFB-OAHLLOKOSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1749683591 YRLCHVBSOYLION-LPHOPBHVSA-N 434.541 0.753 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749736770 ONXGOIVNSICDDC-HXUWFJFHSA-N 432.550 0.827 30 10 ICEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1750385261 HLQJECDWVOIMSM-SFHVURJKSA-N 437.504 0.785 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760446983 HJRCSDATSYMUQC-GJZGRUSLSA-N 428.559 0.538 30 10 ICEE CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1760695358 GDTXPSJRUSFGGG-JKSUJKDBSA-N 427.575 0.547 30 10 ICEE N#CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1 1850034294 XJBBWKYDPLPQQP-UHFFFAOYSA-N 425.477 0.447 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCNC(C)=O)c(C(=O)OCC)c1C 1860761010 MHJBWDPVNTYJBD-UHFFFAOYSA-N 425.463 0.767 30 10 ICEE C#CCn1ncc(NC[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2358563445 DYVVMUJDMGKWEY-SCRDCRAPSA-N 443.298 0.392 30 10 ICEE COc1cccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72443902 CFZLZEOKYGWDDI-TZMCWYRMSA-N 438.444 0.410 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 109429389 DWAVJNPDNMXRRV-OAHLLOKOSA-N 449.572 0.311 30 10 ICEE COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccn(C)n1 470760069 MZBIHJFLPBILLQ-GOSISDBHSA-N 445.501 0.723 30 10 ICEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c3=O)cc2s1 516946186 VHXMKZUTSSBFMK-UHFFFAOYSA-N 441.538 0.341 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCN1CCOCC1 520867022 OTYMNYLJQXASQV-UHFFFAOYSA-N 426.542 0.108 30 10 ICEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 542216985 AOFJLZIFUNOZCZ-UHFFFAOYSA-N 441.538 0.761 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)c1C#N 615953985 HZOGAZJYNYPSIS-VLIAUNLRSA-N 428.497 0.152 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 739830241 NQXLARZSOZAWFR-ZDUSSCGKSA-N 448.888 0.899 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(CC(C)C)s2)c1=O 758068557 MLDWHDGULPCUNG-UHFFFAOYSA-N 444.582 0.854 30 10 ICEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 774211786 FSRREARLSFYLRG-CYBMUJFWSA-N 445.485 0.380 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN2CCCN1CC2 774275536 QLLMVWTZQJVZSJ-AEFFLSMTSA-N 433.578 0.790 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3ccc(F)c(F)c3)CC2)c1=O 789445155 XQYANKRUXPEBGY-UHFFFAOYSA-N 433.459 0.992 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnc4c(cnn4C)c3)cc2C1=O 1116688053 NQVIIFBIUKPUFF-UHFFFAOYSA-N 425.426 0.869 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCOCC1)c1cc[nH]n1 1135637165 JUPPMWOBWRZGES-UHFFFAOYSA-N 429.477 0.842 30 10 ICEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)C1 1176711554 XNGOTFQRTSTTMR-PLMTUMEDSA-N 436.578 0.354 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 1199040349 FCFCCGHVXUTACC-UHFFFAOYSA-N 449.533 0.085 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 1220702032 GSEXVUNSZRKOEJ-OAHLLOKOSA-N 433.534 0.891 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1286349054 DJURBCNEDFQESL-INIZCTEOSA-N 438.554 0.116 30 10 ICEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286389219 ZIKFFTIKSUUWBX-OAHLLOKOSA-N 445.501 0.389 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1290939546 PPXLMOPUBQXCLG-CQSZACIVSA-N 428.308 0.673 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300495066 CIQXNALIWHXNCI-JKSUJKDBSA-N 426.564 0.607 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2CC)CC1 1300710533 FIBAHNQSDNRHIY-UHFFFAOYSA-N 439.524 0.140 30 10 ICEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1301270640 JSRBBSMYOQAHDI-SFHVURJKSA-N 445.611 0.931 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301484668 KBJPSQZBAZROHZ-UHFFFAOYSA-N 448.487 0.640 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCCCO)cc1 1302993300 BTQPKDUKPFCFPD-SFHVURJKSA-N 440.504 0.939 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ncc4c(n3)CCOC4)CC2)cc1 1312962725 LRLHTVOALQGOBB-UHFFFAOYSA-N 442.501 0.637 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)CC1 1359035248 OZZFOAIRFOBAOR-QGZVFWFLSA-N 431.610 0.812 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1359386465 DLKMYQNWGMLUIN-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C)n1 1439793540 DNXSTVLEEMQTCR-OXJNMPFZSA-N 428.518 0.835 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1493177191 AZNZWZHBPXLJAH-HMWBCQRISA-N 436.476 0.533 30 10 ICEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1503970904 GZQKYLLTNBULHL-ZWKOTPCHSA-N 437.504 0.635 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1508095810 VURRCCFTJXJNFN-INIZCTEOSA-N 425.493 0.755 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539222594 WUTWROZCOQETDX-FUHIMQAGSA-N 438.550 0.604 30 10 ICEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1539420095 BBBMEUUJSAZKKP-HXUWFJFHSA-N 432.550 0.422 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540865042 STUQMCRVCNNCFQ-CQSZACIVSA-N 428.493 0.966 30 10 ICEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)CC2)cc1 1540877538 YPJNCFWAUZHFQQ-OAHLLOKOSA-N 448.549 0.828 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 1558072672 AOWKQAUJZCYOKV-GOSISDBHSA-N 435.550 0.122 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 1558072673 AOWKQAUJZCYOKV-SFHVURJKSA-N 435.550 0.122 30 10 ICEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 1558422376 CGQOPMQGQPNLHG-UHFFFAOYSA-N 437.522 0.907 30 10 ICEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511532 URSRIFKHNVNSQQ-QKLQHJQFSA-N 435.502 0.715 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1588194323 SRRFEECTFJEPPD-UHFFFAOYSA-N 434.543 0.856 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1594784203 ULTIUIGJJWHFOA-FCEWJHQRSA-N 443.570 0.865 30 10 ICEE C=C(C)CN1CCC(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 1627255231 HJOXLBIZPALAOH-UHFFFAOYSA-N 429.564 0.525 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 1636568313 GYOSEKUXEBENHE-UHFFFAOYSA-N 430.577 0.908 30 10 ICEE Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1S(=O)(=O)NCC#N 1641669934 KIJOOCWBGCUGED-FQEVSTJZSA-N 436.534 0.143 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689990416 NZXJNNWFDKWUBW-VXGBXAGGSA-N 440.469 0.369 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690725058 DIMOTLUBGNUZBR-WBVHZDCISA-N 446.533 0.799 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690745110 XWPZUMFZKROCMS-ZIAGYGMSSA-N 436.625 0.969 30 10 ICEE CC(C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691653276 MDDFCEIKRSPRTE-HTXNQAPBSA-N 431.497 0.223 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1697381218 HTGMETDPVDKKPB-KRWDZBQOSA-N 447.517 0.622 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1705495970 YABSYASDUMQQNK-IRXDYDNUSA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1705563232 SYISLGCBQCTYAS-QGZVFWFLSA-N 436.501 0.620 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1705596430 DMUJPQVAYAERFD-SFHVURJKSA-N 440.529 0.671 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCN(C)C)CC1 1705643338 BXCKZVQQWINJHY-UHFFFAOYSA-N 445.568 0.058 30 10 ICEE CC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706024889 YJWBOFDYGODSMH-CABCVRRESA-N 432.506 0.798 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1 1722353379 VICUNCNRQLHWEG-QGZVFWFLSA-N 446.533 0.022 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722363981 DGPBDAFNSJRLIR-ROUUACIJSA-N 433.534 0.552 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722365887 FRFWXQBKMVZETR-IAGOWNOFSA-N 437.566 0.919 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1722685825 OQALCTHGDRSEJZ-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722730286 NJJWRCWJVWWLPE-DLBZAZTESA-N 436.582 0.674 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1748818368 ASEVCBMGXJFJEA-WIYYLYMNSA-N 447.561 0.678 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1748857560 CYDPCBIPAQGABG-QGZVFWFLSA-N 446.533 0.591 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1749055743 OHHHTTIEOFNCDG-UXHICEINSA-N 437.566 0.958 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1751018663 PGGIWGRUPGMBKZ-LJQANCHMSA-N 440.570 0.998 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760140832 AQTFGEWGGWJJFY-KRWDZBQOSA-N 436.582 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760268940 RXUPNDLMAXBKBA-OAHLLOKOSA-N 434.566 0.403 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)CC1 1760270583 ZQDLQCKMCYPXHU-INIZCTEOSA-N 431.518 0.787 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760520882 CJBYXWFXTYCNDV-HZPDHXFCSA-N 427.513 0.581 30 10 ICEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCN(S(=O)(=O)N4CCCC4)CC3)C2=O)cc1 1857412828 SZPNQAJDMDKLGY-SFHVURJKSA-N 431.518 0.258 30 10 ICEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1OC 1890772608 GQHKYQDGZCUUEX-UHFFFAOYSA-N 431.474 0.580 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 2267535949 DXRRDLXVVGWJHM-KRWDZBQOSA-N 441.341 0.745 30 10 ICEE CC(=O)N[C@H]1[C@H](Oc2ccccc2C=CC(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O 2297476045 KUVKOKYHHVKVFE-GNJRFXKQSA-N 427.453 0.905 30 10 ICEE CC1(C)OB(c2cnc(SCCC3CCN(C(=O)[C@@H](O)CO)CC3)nc2)OC1(C)C 204890991 ONAZFUZOLRSVHH-INIZCTEOSA-N 437.371 0.850 30 10 ICEE CC(C)(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 468209554 BPDJNSHTNXUVBX-UHFFFAOYSA-N 444.517 0.912 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)cc2)nc1 471324674 ZJQXZAADDAPIGB-OALUTQOASA-N 442.497 0.661 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)nc1 474357043 OUGQZBPNMINKGC-KRWDZBQOSA-N 440.525 0.154 30 10 ICEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)C 503410275 MEFWBEHQIQVNSK-IBGZPJMESA-N 443.614 0.589 30 10 ICEE CCN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)CC1 580982122 GKNZQWFKPVVLBX-UHFFFAOYSA-N 442.545 0.690 30 10 ICEE C#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 729331353 MQCFLJDFCWBBRJ-AWEZNQCLSA-N 427.500 0.271 30 10 ICEE CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 802632621 LPTSDHFSVSLQPE-QIIGAIICSA-N 435.506 0.175 30 10 ICEE CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 804158403 UPVQDSHOVYFCHG-INIZCTEOSA-N 433.484 0.981 30 10 ICEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)CCN1CCOCC1 1142586052 JAUISPSTXGDXDT-MRXNPFEDSA-N 426.514 0.907 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1143354304 AYWIXOQELCALPW-YJYMSZOUSA-N 439.501 0.856 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3c(C)nn(CCCC)c3C)[nH]n2)CC1 1152967892 UQQRNCVNCIJZAC-UHFFFAOYSA-N 447.565 0.916 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 1222709604 XSZFXKLHUBRLRW-UHFFFAOYSA-N 434.566 0.613 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cnnn1 1286280361 YJHIUVAXWIGQKR-HNNXBMFYSA-N 443.537 0.730 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cc(CO)nn1 1286365887 MEQPMRVEAYQVFV-UHFFFAOYSA-N 429.506 0.592 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1300408860 CUDCZAFXSDSADE-QGZVFWFLSA-N 438.554 0.129 30 10 ICEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300422611 UOZRZQZUUOTQIG-INIZCTEOSA-N 438.488 0.426 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300666424 YRXTYRDYRSWALP-IRXDYDNUSA-N 425.555 0.540 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1301518905 KWAZGSOMTJOJCP-HTAPYJJXSA-N 446.552 0.824 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(CO)nn1 1314728720 DJPZALIVJJIKSA-GOSISDBHSA-N 435.492 0.911 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cc(CO)nn1 1358878236 SVIPASAWFUYXHP-HNNXBMFYSA-N 443.533 0.981 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC(O)CC2)CC1 1359031076 OWRLOXVIBLEUTE-QHCPKHFHSA-N 446.596 0.532 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359301194 UQXLINRPZZLRDD-OAHLLOKOSA-N 443.508 0.779 30 10 ICEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1456987577 YLLYGPOUOWMAQB-HNNXBMFYSA-N 435.481 0.695 30 10 ICEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(C)CC2)C1 1475836705 FHRKZHVVPWKXDV-UHFFFAOYSA-N 449.577 0.681 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1507700508 QZMGHRGOQDAJDR-INIZCTEOSA-N 434.497 0.557 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1519592469 DGYRZJJBFDFXKC-ZDUSSCGKSA-N 425.902 0.662 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1539221200 YSLKRRKSCKOWQX-KRWDZBQOSA-N 443.508 0.812 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1539416731 SVWDMYHRPDODEN-INIZCTEOSA-N 446.533 0.805 30 10 ICEE CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546540112 FKVHOBVZEUQVLM-DVSFIDLUSA-N 429.525 0.525 30 10 ICEE CCN(c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1547366751 ZWFZKXGDLZMTPZ-ZFDMEJTGSA-N 434.522 0.695 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1595543951 CJIXKEBNRSGSCC-KZNAEPCWSA-N 448.568 0.842 30 10 ICEE CCOC(=O)CON=C(C(=O)Nc1cn(C)cc(Br)c1=O)c1cc[nH]n1 1632876754 HCKSBJCDZLHHDB-UHFFFAOYSA-N 426.227 0.793 30 10 ICEE C#CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cn1 1634631464 OHZDMRQWZTXIOL-QGZVFWFLSA-N 432.502 0.374 30 10 ICEE Cn1c(O)nc(N2CC[C@@H](NC(=O)COc3cccc(Br)c3C#N)C2)cc1=O 1639531409 DMFNAVHEBFZXCD-LLVKDONJSA-N 448.277 0.894 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1643359678 ZWODDRGNMNPQMK-INIZCTEOSA-N 442.534 0.826 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1659652875 ZXPSQEPTDMPGRD-IAGOWNOFSA-N 439.607 0.718 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689988005 HKMQBJFLOCRLKN-CHWSQXEVSA-N 442.339 0.765 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993749 KOOAIBHLDCNZHI-IBGZPJMESA-N 428.562 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690015227 FEQAUJOKOBMKNZ-SFHVURJKSA-N 441.513 0.785 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1705564363 NIAXXJOYOCFBON-OAHLLOKOSA-N 441.517 0.757 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC 1705624654 JWSWMHDQJQTCLH-UHFFFAOYSA-N 435.506 0.352 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705907192 DAYYHIXLNKGQKN-CQSZACIVSA-N 443.533 0.383 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1712454044 GUCYIGUDHCAWFM-MRXNPFEDSA-N 426.543 0.574 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1722527814 AVHWQGAPGAPGQF-ZIAGYGMSSA-N 428.515 0.122 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 1722640655 QGGBAMNEVLWQQK-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1723954858 KYKGGJFIRGPYPA-RKDXNWHRSA-N 443.274 0.605 30 10 ICEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729344469 FWPUGGCRTBYROJ-UHFFFAOYSA-N 444.565 0.715 30 10 ICEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1740687753 GLHNKEVYROYUNB-UHFFFAOYSA-N 431.468 0.941 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 1740694945 YCNFKPYRXBMYHF-LJQANCHMSA-N 428.585 0.012 30 10 ICEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740722251 CGTQKKFSPCEAHD-LHHMISFZSA-N 438.550 0.729 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1740876525 SZGMRYACTWDLDE-KSSFIOAISA-N 426.543 0.279 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1740996478 NKDSEAHEZNCZGL-ZDUSSCGKSA-N 430.600 0.912 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1741133408 QKRRITRBYDZMNL-STQMWFEESA-N 436.485 0.836 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748808750 MRJJMYUAKCYIBE-LJQANCHMSA-N 440.529 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748817863 RSQCRBYWVUCTFY-HOTGVXAUSA-N 428.580 0.524 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749683323 PNTUZURVFPDXBW-CHWSQXEVSA-N 430.431 0.937 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760127242 UNJVEIMKHYMVDC-QAETUUGQSA-N 425.555 0.742 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760312671 BZZXIKBRQCYGBD-ULQDDVLXSA-N 431.541 0.954 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1770342429 CHRRDQJKZZWZAM-HZPDHXFCSA-N 435.554 0.783 30 10 ICEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@H]2C(=O)N2CCN(C(C)C)CC2)n1C 1853407832 RRSPCLXYXADUAI-IBGZPJMESA-N 432.569 0.904 30 10 ICEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868594568 ZFQYQTAWQKBHDI-QGZVFWFLSA-N 434.562 0.942 30 10 ICEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN(CCO)CCO 1870328570 FULNJDZQMYCSJQ-UHFFFAOYSA-N 446.500 0.822 30 10 ICEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243662439 ASGOPHJKEIILFQ-SNVBAGLBSA-N 428.320 0.737 30 10 ICEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2255653766 NRKRNZICQBMIGP-JSGCOSHPSA-N 436.318 0.429 30 10 ICEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255831986 FWAOQJRUWIYARU-QGZVFWFLSA-N 425.342 0.913 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2258307112 SYKBDYNAPNKVGZ-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267133588 DLXWESIZSZHEDM-AWEZNQCLSA-N 449.361 0.990 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267603509 DOBUBMBWUSAVCD-OAQYLSRUSA-N 448.329 0.878 30 10 ICEE Cn1c(=O)c2c(nc(NN=Cc3cccnc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 2327749697 LKKLQQXHMNUWET-MRXNPFEDSA-N 449.471 0.715 30 10 ICEE N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 425976625 HDTYZJZTQBZKTK-UHFFFAOYSA-N 428.396 0.702 30 10 ICEE N#CC1(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCC1 477499946 AWMOLZDLMAHRMM-UHFFFAOYSA-N 427.552 0.147 30 10 ICEE Cn1c(=O)c2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)n(C)c2n(C)c1=O 540898408 CUMXECQHAUCEKH-UHFFFAOYSA-N 434.500 0.864 30 10 ICEE CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555055885 LRYWESPBOCNHOF-UHFFFAOYSA-N 431.522 0.819 30 10 ICEE CN(CCC#N)S(=O)(=O)N1CCCC2(CCCN(S(=O)(=O)N(C)CCC#N)C2)C1 565566174 KLYDZJNIRAOSJG-UHFFFAOYSA-N 446.599 0.345 30 10 ICEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@@H]3CCCO3)c2=O)cc1F 576425946 RUTQJOPSPLCLCE-AWEZNQCLSA-N 431.489 0.876 30 10 ICEE N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 609338326 ZEXQRGLPBNPQMC-UHFFFAOYSA-N 436.494 0.599 30 10 ICEE C#CCN(CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[C@H]1CCS(=O)(=O)C1 731213060 TZGSXJTTWQITAF-SFHVURJKSA-N 433.578 0.679 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCCN(C)S(=O)(=O)N3CCOCC3)cc2C1=O 731292076 SJIGOWRKVCITDC-UHFFFAOYSA-N 437.474 0.134 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 758471041 HFBSBTYUKZBVIU-UHFFFAOYSA-N 444.557 0.358 30 10 ICEE CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 767751129 MBSCQYXRCFFOSO-IRXDYDNUSA-N 431.555 0.832 30 10 ICEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)c1 1124604791 FEOBZRJZAMJMJH-KRWDZBQOSA-N 427.504 0.688 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1175524237 XYHMIWLMGJCLFT-ARFHVFGLSA-N 426.539 0.101 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1286547142 NJFQFGWXOUORGT-MPTYRVRUSA-N 440.570 0.536 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286874647 ASDZSTUCMFZYMX-CZIZESTLSA-N 438.492 0.479 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1COCCO1 1288840003 FTDTUPRLCDBUCI-HDMKZQKVSA-N 426.543 0.824 30 10 ICEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(C)(=O)=O)cs1 1290430682 CTBUDKGFIQRKPN-INIZCTEOSA-N 435.579 0.855 30 10 ICEE CCOCc1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1297164131 LABNBILTKZUEOM-FMQUCBEESA-N 445.524 0.788 30 10 ICEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)CCO1 1303009315 IDHYGLYPOZNRML-NSHDSACASA-N 439.448 0.380 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 1312584044 BWPIKODJJRMBFE-UHFFFAOYSA-N 430.433 0.731 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963839 OUXLINPWDBIHHY-SJORKVTESA-N 438.550 0.340 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1cn(C2COC2)nn1)[C@@H]1CCS(=O)(=O)C1 1358964423 YWAJTSHKNSDDAU-MRXNPFEDSA-N 433.538 0.314 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358967298 HTGZSGDTSUBPBC-ARFHVFGLSA-N 435.550 0.671 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359056179 ZVAAXYVWUXSDDP-QZTJIDSGSA-N 431.610 0.812 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 1471450891 LCJPVAYOUVKOKO-UHFFFAOYSA-N 429.502 0.284 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 1473838063 REHMPFBXSSLYPY-GOSISDBHSA-N 437.478 0.042 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508095673 ZECRMXDKAVXNKG-UHFFFAOYSA-N 430.557 0.789 30 10 ICEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1519352541 BJVZWLMJHPNZAB-GOSISDBHSA-N 448.549 0.998 30 10 ICEE N#Cc1ccc(OCc2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCOCCCO)cc1 1521102022 MHJVBHTVNQOEBM-IEBWSBKVSA-N 440.504 0.843 30 10 ICEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)c1ccc(Br)o1 1537005563 IQDSGXLGGKEHRU-ZUZCIYMTSA-N 430.280 0.511 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539517953 ULLLTYOCIMVNJG-CABCVRRESA-N 446.620 0.560 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540004631 CNGSNLXPTNTTHY-BEFAXECRSA-N 438.554 0.294 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)CC1 1560145647 PMJPTAVUKOEDDV-OALUTQOASA-N 436.582 0.274 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1587641269 YVBLBMJTVFLEHX-NVXWUHKLSA-N 435.554 0.435 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593746494 GRXTXEBKULGBEM-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2snnc2C)CC1 1594097202 NMPPQHNXOHCXRF-CQSZACIVSA-N 439.567 0.976 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1595467455 UWXABUVTGMSAJJ-MRXNPFEDSA-N 431.541 0.701 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595530057 RBQBYVQOIUOQFN-UHFFFAOYSA-N 428.497 0.952 30 10 ICEE CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1629660142 SOMCNBSXZDVBIP-OAHLLOKOSA-N 431.559 0.961 30 10 ICEE C[C@@]12CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@]1(C)C(=O)NC2=O 1635369414 UNYBEELHWBHBBK-OYRHEFFESA-N 446.529 0.797 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OCC 1643589403 KNTCMVKPSAXNKU-SWLSCSKDSA-N 443.909 0.877 30 10 ICEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCCO1 1686184685 ODRDEPYQXLAHOL-PMPSAXMXSA-N 429.539 0.891 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1687205959 JSOHBBQOHDDXBY-OALUTQOASA-N 430.553 0.980 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689977837 FAQXZPCVSJYYNA-SJORKVTESA-N 436.582 0.527 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1690101418 ZQOQWDLHWOQWCH-QFIPXVFZSA-N 437.504 0.747 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1=O 1696882260 ATHHYPNUHFWLGT-UHFFFAOYSA-N 449.471 0.917 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1698443676 VVBNSMISPUDOPT-ATNYBXOESA-N 442.517 0.478 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705509311 DTBGXUGNBAPCCQ-GJZGRUSLSA-N 431.584 0.705 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCCO1 1705552237 WOZXRGSYXFDYEO-DLBZAZTESA-N 441.554 0.266 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705563693 CRFAZHQKCCUFIY-KRWDZBQOSA-N 427.534 0.887 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cn(C2COC2)nn1 1708728590 CNVINFFENUXXSG-IBGZPJMESA-N 431.476 0.850 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1711418622 NAFKVNDSCBYGNT-GOSISDBHSA-N 448.549 0.998 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1722396203 GQAGLGFMHNYSQJ-OTWHNJEPSA-N 449.577 0.889 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727027371 LDKNVSDGEOBGPD-RPIVUQGMSA-N 431.497 0.269 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627794 SMXCPNRLBUROGG-QWHCGFSZSA-N 449.455 0.087 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748143589 FXSUMYQNIDTIRS-APOCOGJHSA-N 429.525 0.965 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748283058 CSLSEVPXXCMMPM-BTYIYWSLSA-N 425.493 0.818 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1748651466 MWJLMVDEXIPKOF-AWEZNQCLSA-N 428.522 0.830 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1748929855 RBKOIQVPJODVQL-DLBZAZTESA-N 426.587 0.801 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1750060399 GXANXCLXKHFTFQ-QEEYODRMSA-N 433.513 0.903 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760514454 GJEVYBAAFDRBBY-UHFFFAOYSA-N 430.513 0.968 30 10 ICEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1760528555 GQHBONHUXRTVOZ-XFQAVAEZSA-N 432.525 0.480 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2ccnn2)CC1 1760529858 HPSYWHNPSAOQGS-HKUYNNGSSA-N 444.540 0.812 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OCCC)c1 1865721803 BRJLUBNOPYWPHF-OAHLLOKOSA-N 426.473 0.870 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256062428 LRELATNRBBZRBT-ZDUSSCGKSA-N 436.318 0.733 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094315 DXADCXXLPULNCB-CQSZACIVSA-N 449.361 0.990 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267884291 OHKGFCYIYRKDRU-UONOGXRCSA-N 448.329 0.876 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440385180 XKUHBGLHFKNDHE-INIZCTEOSA-N 426.498 0.973 30 10 ICEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OC 481752816 DMYFFIKWTILLSY-CABCVRRESA-N 429.495 0.553 30 10 ICEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 505164315 DYBKZUYMEAJKHS-UHFFFAOYSA-N 427.505 0.839 30 10 ICEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)nc1 518399226 UEOPROPGAFHVPE-MOPGFXCFSA-N 442.497 0.973 30 10 ICEE Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5cccc(C#N)n5)CC4)CC3)ncnc21 544877971 ZOEXRTFFSBBCFS-UHFFFAOYSA-N 446.519 0.101 30 10 ICEE O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCN/C(O)=C1/N=CC=CC1=O 731862574 HHHXSEKPXWZDEL-MRCUWXFGSA-N 446.529 0.876 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C1CCN(C)CC1 735068329 HRAHOCXWZDWEKN-UHFFFAOYSA-N 442.589 0.812 30 10 ICEE CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748526297 JXMZNSIPHYCLJH-HNNXBMFYSA-N 448.526 0.878 30 10 ICEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763436943 WNVWQYFWYMPCBI-KRWDZBQOSA-N 444.557 0.473 30 10 ICEE C=CCn1nnn(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1=S 780765836 OTEGOOUJPQBZSI-INIZCTEOSA-N 431.570 0.808 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 790104505 PCTMHBQOEGDREN-INIZCTEOSA-N 429.502 0.730 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 790746006 GKEICCCHIJGAHM-KGLIPLIRSA-N 444.604 0.935 30 10 ICEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807937879 ORKWPXPLDWFHMM-SFHVURJKSA-N 439.545 0.996 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 1156513375 OSVCYBVISVQLFG-SFHVURJKSA-N 432.278 0.958 30 10 ICEE C#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1171025406 GAISZNHDRFGQIL-FQEVSTJZSA-N 431.558 0.732 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1286296807 RQOFHIGMHBNAOI-BZSNNMDCSA-N 438.598 0.801 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)N(C)C)CC1 1286476971 LZGUUSCQIYNUOR-QGZVFWFLSA-N 444.609 0.944 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286789172 ARWZIZVRQSTVFX-INIZCTEOSA-N 425.493 0.416 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)c1C#N 1296472527 ULOSFCAIUQIWEM-UHFFFAOYSA-N 438.488 0.632 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300481596 ATYRMLXWKSABAF-HZPDHXFCSA-N 443.595 0.452 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1300572644 YWDUBQQXZIYGNT-OAQYLSRUSA-N 442.497 0.686 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1300671486 JSIZCQXQMVQPDK-QZXCRCNTSA-N 428.580 0.567 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)CC1 1300703804 SWGBRGOVCZTJKM-UHFFFAOYSA-N 428.562 0.968 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1301586438 GVYWMUVHRUZVID-UHFFFAOYSA-N 442.538 0.844 30 10 ICEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315149768 GCOLJDMLVASPGI-LSDHHAIUSA-N 448.553 0.516 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOCCN(C)C)CC1 1359043367 RGHIRIHDVHZCPD-UHFFFAOYSA-N 425.537 0.884 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359305211 WMCCREABQGZVEN-HNNXBMFYSA-N 428.493 0.835 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1436289825 KVOYYNRBPWTCMV-IRXDYDNUSA-N 430.486 0.799 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1438148715 RERJIYDIKQMKEB-KRWDZBQOSA-N 439.509 0.837 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1504913368 ICOJFCDLOSGLPM-UHFFFAOYSA-N 449.519 0.738 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630491 AEJSZXWXDXIVCC-QGZVFWFLSA-N 447.565 0.468 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507637743 MTGXEDQMMFNZGG-HZPDHXFCSA-N 444.579 0.409 30 10 ICEE C#Cc1cncc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1527892533 SBBULPQMLPQSPR-UHFFFAOYSA-N 428.514 0.953 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1540201469 VKGBABUTNKJACR-MRXNPFEDSA-N 440.526 0.595 30 10 ICEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1555784481 DDLPMSTXYAGFKV-SFHVURJKSA-N 426.477 0.813 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCC3(CC1)CC(=O)C=CO3)CCS2(=O)=O 1565449302 NGPCNDMCABYGJK-CHWWFWEZSA-N 440.518 0.933 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588848842 NWEKGICFISNOJY-LJQANCHMSA-N 428.562 0.844 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOC)C1 1593884851 KXUJOHLIQXWZSG-GJZGRUSLSA-N 449.961 0.605 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)OC)C1 1595728380 BJISVNWRGRVBDP-GVDBMIGSSA-N 443.570 0.817 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCO1 1596640645 AWXNRNSPFFYLOZ-GCJKJVERSA-N 437.504 0.636 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1619547648 UIHBIVUOMAYDDJ-IBGZPJMESA-N 440.504 0.917 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 1622396051 QZNSEDMZGUFYKP-UHFFFAOYSA-N 429.296 0.312 30 10 ICEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(C)S(=O)(=O)N(C)C)n1 1626530048 GLRVFRUSFSNMHV-UHFFFAOYSA-N 431.569 0.477 30 10 ICEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1647922998 JZAXBSDNEJUDRB-SJLPKXTDSA-N 430.530 0.997 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)CC1 1674549373 CZBFPDUFSJSQGF-GOSISDBHSA-N 435.550 0.064 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 1676963280 NZEQCKKERXMQOV-LJQANCHMSA-N 436.534 0.950 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1682794907 NBXGIEJUNGHCGJ-UHFFFAOYSA-N 442.305 0.868 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1689926450 PTCYIKQYSYCHOH-QGZVFWFLSA-N 449.515 0.947 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1690019395 HHTYMMFMPFTOGQ-QGZVFWFLSA-N 435.513 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COCCO2)CC1 1690137456 ZLAZAUGAOSWNHN-SFHVURJKSA-N 446.552 0.578 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722306337 IZFKSSKCGNEWQJ-UHFFFAOYSA-N 443.552 0.491 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)CC1 1722432686 YVGDXBCLEYLDNH-OAHLLOKOSA-N 446.533 0.421 30 10 ICEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC)CC1 1722440544 AUAIHOXZIPBROV-UHFFFAOYSA-N 446.577 0.778 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722574704 QBBUFIADZQOLLH-OCCSQVGLSA-N 439.542 0.279 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1740610981 QAQIJSOIHMQYHO-QZTJIDSGSA-N 436.582 0.697 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740626108 SDUNQMYMEYIUAC-ADKRDUOOSA-N 447.586 0.802 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1740627330 ZUHAVPZXPLBZJF-QGZVFWFLSA-N 428.518 0.193 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CC2)CC1 1740704732 SVJWHLMORNCABW-UHFFFAOYSA-N 430.534 0.816 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1740957870 COIYLIXBYOGRTE-GOSISDBHSA-N 445.568 0.613 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)CC1 1740985882 MVAXUZWYJDBFDL-UHFFFAOYSA-N 436.582 0.789 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)CC1 1748989032 DIUYZHNJRKTNAM-MRXNPFEDSA-N 436.582 0.098 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760180372 CTEKSZWLNKQEPI-ULQDDVLXSA-N 426.539 0.665 30 10 ICEE CC(C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760914828 LYQBLRCHRWOOKM-ZPHPHTNESA-N 442.524 0.922 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CCC#N)CC1 1851446580 ONJKNXHXENTPFB-UHFFFAOYSA-N 436.534 0.778 30 10 ICEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870570620 GTNBNYHMMKTQLC-UHFFFAOYSA-N 446.533 0.876 30 10 ICEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267531139 LYCZLUHXJGPNGA-UHFFFAOYSA-N 449.361 0.991 30 10 ICEE N#Cc1c(NC(=O)CCN2CCN(CC(=O)N3CCOCC3)CC2)sc2c1CCC2 28899596 FNUUHRWOGBDHIU-UHFFFAOYSA-N 431.562 0.913 30 10 ICEE C=CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 105358775 ZVEMXYQEIDIGKO-UHFFFAOYSA-N 437.522 0.804 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 512714114 MUFHMTMAHZGYFL-QGZVFWFLSA-N 440.500 0.522 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2=O)cc1 557669185 ATAGIWJZWBEAOX-CQSZACIVSA-N 437.378 0.996 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779596457 JZZCHTFRRLCVCR-FMQUCBEESA-N 430.486 0.506 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779596462 JZZCHTFRRLCVCR-VXPUYCOJSA-N 430.486 0.506 30 10 ICEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1131941498 UDJYZZIISCPHLW-OAHLLOKOSA-N 440.518 0.883 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1178039538 XRABJMQMIBSAIC-CQSZACIVSA-N 430.490 0.378 30 10 ICEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1291832812 IZSGPHCXHMOAMQ-CVTQAYBASA-N 444.540 0.150 30 10 ICEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1295056670 FEIMADBWLYYIEU-UHFFFAOYSA-N 425.493 0.590 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1300501120 HBFGHGXSGJQXFK-IBGZPJMESA-N 448.637 0.883 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1301509180 BMEZGKTWIJIVJM-UHFFFAOYSA-N 432.525 0.825 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)C1 1302978920 LWRKPMHNQDAUIK-IIDMSEBBSA-N 427.502 0.818 30 10 ICEE CS(=O)(=O)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316351343 LZYXCUMKFATLSE-DOTOQJQBSA-N 438.554 0.020 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCN(C)C2)c1 1358901967 BQJINRGLWPUBMM-MBSDFSHPSA-N 438.532 0.905 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[S@](=O)C(C)(C)C)CC1 1359044337 CNWOLTPLHWUYKO-ZYSBOAIWSA-N 448.593 0.742 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCOCC2)CC1 1359044893 RBBJVPPHYMWRBA-GOSISDBHSA-N 431.537 0.679 30 10 ICEE COC[C@@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1446055336 ZUDYFKKLOLTGGD-LJQANCHMSA-N 425.507 0.980 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(OCCO)CCC(F)(F)CC1 1470241441 FLPLCJMJPDKLON-UHFFFAOYSA-N 431.461 0.798 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1507537760 JEKNHSUYYXKCOD-ZBFHGGJFSA-N 431.518 0.551 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507631255 NCGODZRNMUGPQO-VBKZILBWSA-N 449.533 0.794 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508084621 OZLZKYJPBKPSBE-HKUYNNGSSA-N 425.537 0.723 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508127123 WTROWEJMLIETHW-BZUAXINKSA-N 438.554 0.435 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1539430468 KIUOCOPPORXAEI-JOCHJYFZSA-N 439.520 0.228 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1539432078 YDUCXOYCIUSVCR-QHCPKHFHSA-N 444.580 0.944 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540876656 XQPGFQZJUOBXJE-DNVCBOLYSA-N 441.554 0.246 30 10 ICEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C(=O)OC 1556971456 YSJZJKSMJIETMT-AWEZNQCLSA-N 447.307 0.669 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2)c1C#N 1563293017 HTJIMXXFMAKOQX-UHFFFAOYSA-N 426.485 0.176 30 10 ICEE C#CC[C@@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1587392939 XIYMMFKWCPFRCU-AWEZNQCLSA-N 433.486 0.729 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588069163 IMNBEPHDBBTZIS-KRWDZBQOSA-N 447.565 0.293 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC(C)(C)C 1588088842 BMIVMNLADHYIHY-UHFFFAOYSA-N 439.538 0.432 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)Cc1ccon1 1588214583 XDDZEARKAMCKEO-UHFFFAOYSA-N 440.489 0.306 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1588751557 LZQHSQYYIPXOCZ-FQEVSTJZSA-N 437.566 0.263 30 10 ICEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1588806332 NCJRUXRFKDNMFM-UHFFFAOYSA-N 434.504 0.874 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1595797419 GALUNEFMPQIGDJ-CQSZACIVSA-N 434.522 0.039 30 10 ICEE C[C@@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)N1CCS(=O)(=O)CC1 1628035713 AGQJKOULYGYRRN-LLVKDONJSA-N 444.307 0.461 30 10 ICEE CS(=O)(=O)N1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628327450 BOALAMNUBMBLKY-CQSZACIVSA-N 427.324 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)CC1 1632960518 IQPCCVJWMWQJIM-UHFFFAOYSA-N 438.513 0.954 30 10 ICEE CS(C)(=O)=NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1639648427 FEHWRMMPNYPEKO-UHFFFAOYSA-N 426.520 0.329 30 10 ICEE C=C[C@@H](COC)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1680389636 NUHKZCQOCOSAGW-INIZCTEOSA-N 439.538 0.135 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705721188 OCWFLOWSVXWBAA-TZMCWYRMSA-N 439.542 0.231 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1705905033 GYIALBVSQZLUTD-UHFFFAOYSA-N 448.474 0.744 30 10 ICEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1712886606 YLWGYOAOPMHXQQ-IRXDYDNUSA-N 439.476 0.617 30 10 ICEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722321369 ASGSLXJNPKWOOR-KRWDZBQOSA-N 440.479 0.947 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CC1 1722434746 YZBCYBLMGSTQRR-UHFFFAOYSA-N 441.561 0.901 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740626204 KHYBRMGRVMQPAJ-HZPDHXFCSA-N 437.566 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1740990094 IIKMLBSETDNWMY-UHFFFAOYSA-N 436.538 0.605 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1748752445 XKIZQTFUSQAFFT-SJORKVTESA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748815584 RNKSRYOPQRYJTJ-SJORKVTESA-N 445.549 0.222 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749193499 LONWGFBDULNMIZ-CVEARBPZSA-N 445.611 0.864 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749649989 FZECHLXZKZQIKF-OAQYLSRUSA-N 430.484 0.956 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749669593 MBMQPXOTDPJHJP-CVEARBPZSA-N 440.570 0.192 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749734066 DSJRGBIAHRWDFT-XHSDSOJGSA-N 446.595 0.785 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760321740 JQCQOKYXLWUQIB-PXNSSMCTSA-N 443.556 0.793 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 1760517349 KJGLWBFOBQSWNX-KRWDZBQOSA-N 427.465 0.676 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2315532110 HDLDCZWWIKTHGE-WDEREUQCSA-N 428.220 0.707 30 10 ICEE C=CCn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)NCCN1CCOCC1 12624290 MGCSHHLAOJGNEP-LNWFBJFBSA-N 430.555 0.109 30 10 ICEE Cc1nc(SCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C#N)c(C)c1C 497343860 SCBRBZZPAKEPLQ-UHFFFAOYSA-N 431.562 0.974 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 508489917 AALZWQZWOOTQDO-DOTOQJQBSA-N 435.554 0.915 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 552688447 IZVUDAWGYNJHPC-BBRMVZONSA-N 428.536 0.107 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603800500 WNZJGQVKSUCNBM-KRWDZBQOSA-N 427.526 0.745 30 10 ICEE N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCCCC1 760401191 RQVATZIACGJRSW-UHFFFAOYSA-N 448.549 0.825 30 10 ICEE C#CCN(C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCS(=O)(=O)C1 774212290 ZYYRVZSSMHGTBI-VQTJNVASSA-N 446.573 0.716 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCN2CCc3ccccc32)c1 919021295 ZQRVGIVDZMINTL-UHFFFAOYSA-N 441.509 0.934 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 1152967479 ILUBOPCSVLSRJZ-MRXNPFEDSA-N 438.937 0.300 30 10 ICEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286681299 UHRSDSXAYSMDBZ-UHFFFAOYSA-N 442.528 0.206 30 10 ICEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286789195 AUJUNSBVKACGOV-SFHVURJKSA-N 426.521 0.707 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1286966732 BEQBHVLBMYSERF-PMPSAXMXSA-N 426.543 0.633 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1288773651 PWODJTUVMOIUEO-LLDVTBCESA-N 426.543 0.965 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1297778278 KHQQLNBILDDYCO-FQEVSTJZSA-N 446.533 0.752 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)CC1 1300683508 OXDSNLIGARFGDE-DLBZAZTESA-N 446.581 0.418 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301222741 FAJSIDBCOXGEHK-CABCVRRESA-N 431.584 0.664 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cs1 1304675762 LGDXNNPQHLJXSA-HNNXBMFYSA-N 439.567 0.690 30 10 ICEE C#CCN1CCC[C@H](NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1311897525 FALHGMGTLMHKMR-LBPRGKRZSA-N 435.330 0.308 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)CCC)c2)CC1 1455114277 CBRSQEFEDNBJEM-UHFFFAOYSA-N 428.536 0.064 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507631958 HMFKVQJAKNWFMI-HOTGVXAUSA-N 448.549 0.987 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507723522 LDAFXNISTOAJGS-HZPDHXFCSA-N 439.486 0.869 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1508139487 AXROJIAEGNXHTI-HZPDHXFCSA-N 449.537 0.141 30 10 ICEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)CN(C)C1=O 1519165255 ZBKVVFMUNNAFEA-HXUWFJFHSA-N 429.481 0.851 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(F)(F)C1 1521423812 VESSFOANFNRYGO-PEZBUJJGSA-N 435.435 0.886 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539215953 LVXYKXIPGTZRRA-INIZCTEOSA-N 430.534 0.754 30 10 ICEE C#C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C1CCOCC1 1539806817 ASDARNHLVDUEML-JXXFODFXSA-N 426.535 0.813 30 10 ICEE CN(CC1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554245346 PABHPOMRPHZPNZ-MEUCICPISA-N 443.508 0.618 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1554494220 AYRXSHNPRJOBJC-UHFFFAOYSA-N 446.537 0.217 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)ccc1F 1556960372 ONKZZXWXUAYDEE-GDBMZVCRSA-N 432.495 0.318 30 10 ICEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1561956814 CLHQKXVNENMQEX-HXUWFJFHSA-N 434.518 0.468 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1593746810 NUEGQNCBQBBKPZ-OAGGEKHMSA-N 439.538 0.708 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C1 1595723219 SYKZWEPZEIMMND-JKSUJKDBSA-N 425.555 0.830 30 10 ICEE CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1608141560 LQUKHFYGGJOQDD-MEUCICPISA-N 442.524 0.286 30 10 ICEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 1627068146 SXDKVECNAFVODO-UHFFFAOYSA-N 442.563 0.791 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)CC1 1670354278 SZKBFDIMVANOJX-INIZCTEOSA-N 445.586 0.865 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1689930066 KELYHVIWQJGFNV-SJORKVTESA-N 425.555 0.887 30 10 ICEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCCOC)CC1 1690640925 SMLMAOVBKOAGQM-UHFFFAOYSA-N 431.497 0.076 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC(C)C)CC1 1705651331 SHWMPUGBXVSGAT-UHFFFAOYSA-N 440.552 0.630 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705904972 FAGMOPZITBSLPN-INIZCTEOSA-N 433.534 0.803 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1708728544 AWTIJHNVCWYUOG-LJQANCHMSA-N 433.492 0.813 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1712454501 HODDJKVGNUKNPG-KRWDZBQOSA-N 433.557 0.831 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1722435198 DKYBBRHQXWEQCD-UHFFFAOYSA-N 431.504 0.746 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 1722603777 NAVRVJAIMOFCKF-OAHLLOKOSA-N 447.583 0.202 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CC)C1 1722719778 ZRKFHLRHHFBDBU-GPMSIDNRSA-N 443.570 0.553 30 10 ICEE O=C1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1731226263 OYKAYZRUFDBIFM-ZCXUNETKSA-N 427.490 0.393 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1740671790 OPFAVUXYIUAZNS-QGZVFWFLSA-N 426.587 0.801 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749428098 YONQPTFXGVZERW-XHSDSOJGSA-N 429.543 0.427 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCn2ccnc21 1761500573 BBFACJLBLMPYEU-ZNMIVQPWSA-N 434.526 0.391 30 10 ICEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769696082 FCOCXEDCOSNTNL-LJQANCHMSA-N 444.584 0.659 30 10 ICEE C=CCN1C[C@@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccc(F)cc4)cnc32)CC1=O 1850209810 VHFFBTMEKIRNLD-INIZCTEOSA-N 438.463 0.931 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCOCCO 1870583844 LNBRAQWICMZRLH-UHFFFAOYSA-N 435.521 0.269 30 10 ICEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564066 UNIXGNOHSVVKDV-UHFFFAOYSA-N 443.508 0.784 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631691 CQUHBBGIWPCPPY-UHFFFAOYSA-N 436.318 0.857 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267169377 XYIWDRSIHYEIOU-HUUCEWRRSA-N 448.329 0.876 30 10 ICEE C=CC[C@@H]1COC[C@@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310019 JDYXTERSBJQQFM-IXDOHACOSA-N 426.491 0.965 30 10 ICEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cc(F)cc(F)c1 72443908 AKKALIASYOTKSF-UONOGXRCSA-N 428.399 0.974 30 10 ICEE C#CCN(CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 111191579 MOKUSBOWKUUINQ-MSOLQXFVSA-N 430.592 0.457 30 10 ICEE Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 437569003 MTUBFQSEPYNTMJ-UHFFFAOYSA-N 430.486 0.657 30 10 ICEE N#Cc1cc(N2CCCN(CCO)CC2)cc(N2CCCN(CCO)CC2)c1[N+](=O)[O-] 462816440 LGMYTSUQKQHLCJ-UHFFFAOYSA-N 432.525 0.475 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481984090 UNNKCIYETNPCPC-AWEZNQCLSA-N 444.538 0.288 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O 532799913 OFCXJYNLRKCQEG-UHFFFAOYSA-N 441.557 0.331 30 10 ICEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 544832948 ZBSHJWNVOLRKRJ-UHFFFAOYSA-N 432.488 0.993 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 605416196 WBEQJJXVBAFBQF-UHFFFAOYSA-N 435.550 0.921 30 10 ICEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O 726585388 SESXSCYPBBFWRL-LJQANCHMSA-N 425.489 0.851 30 10 ICEE COCCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732706431 JQEAYPHAKSKYEU-HNNXBMFYSA-N 433.896 0.853 30 10 ICEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 805779691 CRJLJZYPEWTFKE-HXUWFJFHSA-N 433.578 0.440 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)cc3)c2=O)cn1 839202690 BTFFBJZWQQOOBS-UHFFFAOYSA-N 439.472 0.133 30 10 ICEE CC(C)(C)OC(=O)N(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C[C@H]1CCCO1 1159490719 UEZSXXTUPWTLIA-OAHLLOKOSA-N 433.465 0.620 30 10 ICEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1162949631 STUJXKLTVHPPKW-YOEHRIQHSA-N 426.477 0.342 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnccc2OC)CC1 1286485017 AKYQRDHAVBAZMZ-UHFFFAOYSA-N 439.520 0.834 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1286773730 QVTLZTORPKRNJI-INIZCTEOSA-N 425.511 0.891 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1 1299142222 HENWEDARSPPMBE-IAGOWNOFSA-N 426.516 0.792 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300492603 NVAXKIGEGDURIP-KRWDZBQOSA-N 428.522 0.282 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1300686280 ZKKFSARVZDNJQI-DENIHFKCSA-N 432.569 0.406 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(C)O)CC1 1300711652 GHMLOBANSXVOPC-AWEZNQCLSA-N 440.570 0.015 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1301503200 VSBFGQNFAURWHM-DLBZAZTESA-N 442.476 0.044 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1303340206 JIMVHZIFVBDJBL-HTXNQAPBSA-N 445.524 0.806 30 10 ICEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1315257471 FLLOXWZZPVLMOT-UHFFFAOYSA-N 431.518 0.982 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1358887536 YWCXZOBWTVAWMU-CABCVRRESA-N 428.493 0.959 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1358949207 VRXRNUOIAWDEHZ-GOSISDBHSA-N 438.598 0.802 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1359142064 ACMMXXHNZLMKDD-CYBMUJFWSA-N 426.934 0.757 30 10 ICEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1359401888 HIGRYRKFQRTYFA-SFHVURJKSA-N 429.550 0.823 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 1475622982 NFSNEKNOBCHQFB-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504568505 TVOJUPPUVZOZIO-ZIAGYGMSSA-N 446.533 0.998 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1507707463 XAFKNPZWQWEYJI-UHFFFAOYSA-N 433.534 0.806 30 10 ICEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507846033 AXJVKLPMLUJUSG-QGZVFWFLSA-N 425.493 0.004 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1508071562 AGSTXBIPLHGCKV-CQSZACIVSA-N 442.586 0.974 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1508145594 NFRZQCSOFZSSIB-CABCVRRESA-N 432.568 0.254 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1509745152 RLTLLSRTJVIWIH-ZZEZOPTASA-N 440.508 0.771 30 10 ICEE C#CC[C@@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1530736739 XPLBULCXNADVDA-INIZCTEOSA-N 448.545 0.681 30 10 ICEE C#CCCCn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539139157 FDWKTFOTJNARPH-KRWDZBQOSA-N 425.555 0.859 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539230504 NHBZHWKLESABKP-SFHVURJKSA-N 442.545 0.779 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1588645757 CDGZNGVZZVNRSA-BBWFWOEESA-N 426.539 0.318 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCOC2)n1 1588724374 XSTDGEHQPAJPIM-NRFANRHFSA-N 425.493 0.907 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)CC1 1595778440 ZRFDGUTUKYELNI-UHFFFAOYSA-N 433.490 0.601 30 10 ICEE CN(C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1617789314 TWNGGAUMGLPYAQ-INIZCTEOSA-N 447.521 0.602 30 10 ICEE CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC#CCO 1617900644 KPLBJJDSRYRQPH-SUMWQHHRSA-N 443.953 0.847 30 10 ICEE COCCOC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1635827994 WQALCMLMGACNCC-OAHLLOKOSA-N 425.507 0.553 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1 1643370045 OSFAYNVHJULHJE-UHFFFAOYSA-N 433.271 0.517 30 10 ICEE CN(C)CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1=O 1643673600 SFPOMCRJHDEHPL-HXUWFJFHSA-N 430.528 0.240 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1675705064 NCVWSEMVNHMSHD-FQEVSTJZSA-N 449.577 0.627 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1698063252 SCRJODSXKPIFCA-HZPDHXFCSA-N 426.543 0.920 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1698317190 IIKDWATZBNWJJA-GOSISDBHSA-N 445.549 0.277 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705829588 WMTGMRPSCLLJRE-ROUUACIJSA-N 445.568 0.565 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1705830457 PXVJOEWSZPTMSE-QGZVFWFLSA-N 443.570 0.412 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)C1 1705926141 YTOFKJKBHLDPMR-CVEARBPZSA-N 443.570 0.817 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722363255 ZLSRPLKRVSLCMD-HZPDHXFCSA-N 445.549 0.220 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722533964 GYRFYWIFLCFEOR-UHFFFAOYSA-N 444.540 0.445 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1740958628 RYQMAACLTVAVJK-QGZVFWFLSA-N 434.504 0.730 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1740994037 HNKNMKLKNDUQOQ-KRWDZBQOSA-N 449.581 0.832 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N1CCOCC1 1748785022 XCTFHQKTINOQLK-UHFFFAOYSA-N 431.522 0.166 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1748864097 PRFTZMKLPPRQPE-INIZCTEOSA-N 429.550 0.861 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749669706 JLPNAEXUHYXPOV-GJZGRUSLSA-N 431.497 0.295 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760188152 IOOJJXRDQQLGTH-MJGOQNOKSA-N 434.610 0.808 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1760189621 QHDWTKBBEXIVSR-HNNXBMFYSA-N 439.563 0.345 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1760190199 UEHXIJCZYZNRJA-MRXNPFEDSA-N 426.506 0.567 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1760249809 UAQGEOSPAKAPPQ-INIZCTEOSA-N 425.555 0.887 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1766869796 AHRGXDWSLCGYIT-GOSISDBHSA-N 437.504 0.733 30 10 ICEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1772891377 MJCULHOLRKSYNU-OIISXLGYSA-N 438.554 0.776 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 1858337208 XQVZAHTWDIAPGZ-ZIAGYGMSSA-N 444.435 0.991 30 10 ICEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N=c1nc(C#CCO)[nH]s1 2110082927 RJFMHIBIVGHXKI-UHFFFAOYSA-N 434.499 0.512 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256928340 ROUGSUVNCRPAHC-CQSZACIVSA-N 430.270 0.514 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880979 WMTRGDBSJBGWIU-OAQYLSRUSA-N 448.329 0.878 30 10 ICEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](N(C)S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409489788 BHWMWCIKWZWSTB-BRWVUGGUSA-N 448.615 0.445 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 409666598 OOGHPCBHZPZJIK-OKZBNKHCSA-N 433.534 0.676 30 10 ICEE COc1cc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)ncn1 461344762 WHGLYOXVGLCBAS-AWEZNQCLSA-N 430.490 0.372 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 465374912 NTVSVJWRJUXWCB-HXUWFJFHSA-N 427.549 0.850 30 10 ICEE C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)n1 515492719 VWYFQYPTDBWAJF-UHFFFAOYSA-N 449.533 0.916 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)cc1Br 565988078 WGVWMEAHIYVDQT-SNVBAGLBSA-N 437.293 0.583 30 10 ICEE N#CCNC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 582623277 CMBWRVCEGQBPLZ-ZDUSSCGKSA-N 429.296 0.358 30 10 ICEE CCc1c(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 754348961 XNRJCRGCFVTVQX-LAJNKCICSA-N 429.477 0.794 30 10 ICEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1134429137 PGQAPWHPELRAPB-GZRFBZBPSA-N 430.486 0.581 30 10 ICEE CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1295219021 QKQYVSRZVINQIM-WMQDPJMESA-N 434.522 0.695 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1301297624 RJGYPSYJGBYRAR-CRAIPNDOSA-N 444.627 0.671 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1301557549 PTVKESFQLJADGH-RDJZCZTQSA-N 449.533 0.871 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1301586123 DMOAINOFLXIIBP-UHFFFAOYSA-N 448.549 0.160 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCOC2)C1 1302481105 XAIQJBLLWKLYAF-MPGHIAIKSA-N 442.517 0.480 30 10 ICEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359049387 OAOJNNBELFCELN-KRWDZBQOSA-N 448.593 0.665 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359332124 PVBYRISCEUWWHH-UHFFFAOYSA-N 438.554 0.331 30 10 ICEE C#CCN(C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C(C)C 1469554339 YBYXREFNZGFNSK-UHFFFAOYSA-N 431.536 0.844 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CCO1 1503769824 BTRSMKXPDSPHJE-GOSISDBHSA-N 439.520 0.930 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCCS(C)(=O)=O)CC1 1507884695 KXEQEWHWSWNWFZ-HNNXBMFYSA-N 432.568 0.398 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508329555 WYKUTUFIUUFLIL-YLEKHRKWSA-N 443.508 0.761 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1511977357 MQIRJDXBRQQGBO-VFYFULIZSA-N 429.481 0.323 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1O 1517688198 AEWPQVSAOOLFPL-SAJUPQAESA-N 441.488 0.717 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCOC2=O)CC1 1539431839 XGFOABPXEMPDJX-OAQYLSRUSA-N 432.525 0.528 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539446452 CTYOBFIMDJVZCW-GOSISDBHSA-N 429.546 0.989 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1539518202 WOBNTNNYGWFRHG-HUUCEWRRSA-N 426.568 0.716 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1540200675 GXUULHMDERLHJQ-IRXDYDNUSA-N 427.571 0.540 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1540201713 YWPDJZMQALANCR-OAHLLOKOSA-N 425.555 0.865 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540866983 HEJKVJNNWWERJE-GOSISDBHSA-N 435.488 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540902910 UERRZGZQVHAXAA-HUUCEWRRSA-N 425.511 0.414 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1584537478 UBVSMNUUPCNECG-KDOFPFPSSA-N 435.502 0.748 30 10 ICEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1618916689 VHSDJLHPNXRINZ-QGZVFWFLSA-N 433.530 0.636 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1619547650 UIHBIVUOMAYDDJ-LJQANCHMSA-N 440.504 0.917 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)ccc2c1=O 1634861602 GUNMNZOXMGNZHS-ZDUSSCGKSA-N 438.531 0.261 30 10 ICEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1636512862 UJMBOBKLGMPLGO-IFXJQAMLSA-N 426.539 0.372 30 10 ICEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1667571573 RHARSSPAFLZCGP-INIZCTEOSA-N 436.534 0.813 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1690219448 FEGKFTYWCQXFKY-GHMZBOCLSA-N 435.348 0.464 30 10 ICEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690503492 CNYBDATZMUBBMG-MRXNPFEDSA-N 440.504 0.693 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705570871 UUCFFYGSDRVNEM-IBGZPJMESA-N 435.594 0.970 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363641 UOYCBYOSSMUJRX-CYBMUJFWSA-N 430.469 0.283 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743773750 YRUOAKLYZJLWLQ-ZJYNUGOYSA-N 445.524 0.613 30 10 ICEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1746676643 WPNOLVQGVPJVQI-GOSISDBHSA-N 426.543 0.609 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748855475 BCCLBQBFDZUWQH-OAQYLSRUSA-N 439.497 0.351 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749659391 BFDOCBFRNAKBML-KRWDZBQOSA-N 448.549 0.774 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nncn2CC)CC1 1760271955 SSLKYFZAMQVRKG-UHFFFAOYSA-N 433.520 0.889 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1C[C@@H]2CCO[C@]2(C#N)C1)NC(=O)OCc1ccccc1 2286040198 JHCBYFIYBUYKFO-FRQCXROJSA-N 437.474 0.399 30 10 ICEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C[C@@H](C)O1 503641379 GVDXAYYSWRHCSU-IYBDPMFKSA-N 434.518 0.683 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CCN1C1CC1 748983014 ZWDBUFYPTIGWBG-QGZVFWFLSA-N 441.488 0.061 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn3ccccc23)c1=O 758051350 VDZKCRJFBFOWPT-UHFFFAOYSA-N 435.509 0.237 30 10 ICEE Cn1cc(S(=O)(=O)NN=C2CCCc3nn(-c4ccccc4)cc32)c(=O)n(C)c1=O 794523362 MXXLESLPRNMOQD-UHFFFAOYSA-N 428.474 0.289 30 10 ICEE C#CCN(C(=O)Cn1nc(Br)c(Br)n1)[C@@H]1CCS(=O)(=O)C1 1142046964 SDLXPEQJBJJAET-MRVPVSSYSA-N 440.117 0.452 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 1149027369 XVDTWPGBSSUWOB-QGZVFWFLSA-N 426.560 0.675 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1161126345 CUSUTTKQOWQCPJ-INIZCTEOSA-N 437.518 0.964 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1286508203 GRLZXZWPWAVVPT-MAUKXSAKSA-N 426.564 0.542 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)CC)CC1 1286664638 ZSGCXIAPMLENGB-HNNXBMFYSA-N 431.584 0.522 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286820412 LBKRVZQYDWWLMH-SJORKVTESA-N 425.555 0.687 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1300991544 UMMQTFMAMAIMAE-QZTJIDSGSA-N 441.598 0.930 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301496544 CGFUZUNUCYGYRU-ZDUSSCGKSA-N 436.476 0.563 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 1309802554 UWROLAPEZFXIBB-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312485009 FWZSFEMRDREJOB-NXHRZFHOSA-N 429.477 0.802 30 10 ICEE COCCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1=O 1316138848 WHKVGHMFEOKRBM-UHFFFAOYSA-N 427.465 0.208 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)CCO1 1316537852 FUWVIUGWGZXEEF-CHWSQXEVSA-N 435.286 0.617 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1318923660 HDNNUHJPNBKKEA-CCEZHUSRSA-N 438.428 0.581 30 10 ICEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1504343514 CYBYAMSGFHZRNA-QGZVFWFLSA-N 426.477 0.965 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507631868 GSZMNBQHQYUQLY-VKJFTORMSA-N 426.564 0.277 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1508145933 RAQUOJIFYUNJJR-MRXNPFEDSA-N 445.611 0.311 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1509677406 FHRMZYWBFKUXQA-QGZVFWFLSA-N 436.520 0.893 30 10 ICEE CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515112168 HWWQMALJCLOHTB-HOTGVXAUSA-N 439.524 0.685 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1539326099 RPTUFARNNXRCIH-GOSISDBHSA-N 449.577 0.891 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539477590 RSLFTSXRGKRNHF-KRWDZBQOSA-N 438.536 0.559 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)CC#CC 1539516814 DLCYRBCUGPOZSQ-QGZVFWFLSA-N 435.575 0.440 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540873625 DVIALRNXOOERLX-INIZCTEOSA-N 429.525 0.294 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555276797 RFUHJTCQVNKSTQ-LZWOXQAQSA-N 426.518 0.341 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)NCCN2CCCCC2)ccc1F 1569055243 OCALDSDJKITMEI-UHFFFAOYSA-N 426.514 0.622 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595467437 UNYLQIVFIOBCOP-OAQYLSRUSA-N 430.484 0.956 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1595784841 LDKRGRLDXUEPLK-UHFFFAOYSA-N 434.522 0.236 30 10 ICEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1644638200 KVAMIPWUWAZYGM-IRXDYDNUSA-N 431.514 0.838 30 10 ICEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)CC(=O)OC(C)(C)C 1647117197 PMTCGGAATFAAFO-QFIPXVFZSA-N 444.488 0.770 30 10 ICEE C#CCN(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CCN(C)CC1 1676632163 ISKICIHWQCSXHN-NGEICVOHSA-N 425.551 0.624 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1682617332 CEPFOHSYZVTTNB-ZWKOTPCHSA-N 429.502 0.750 30 10 ICEE N#C[C@@]12CN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)C[C@H]1CS(=O)(=O)C2 1684660710 WPCQOZOOOWXRAT-KSSFIOAISA-N 438.531 0.670 30 10 ICEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690025483 SFLCBNVNXHYPGU-NRFANRHFSA-N 428.514 0.788 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1690597578 XVPHMZRBAJHTBX-HNNXBMFYSA-N 436.542 0.449 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1690672670 ZKDOLQSLWHGUSC-HOTGVXAUSA-N 440.570 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690723194 KYTLYSPAIYJSJH-NVXWUHKLSA-N 447.565 0.633 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690982873 QDIJGQGPTGXNAT-JOCHJYFZSA-N 437.504 0.971 30 10 ICEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1695537307 GKAINTDNORQBJM-RXVVDRJESA-N 444.561 0.897 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1722429047 MPBDVVIPLRSHCL-QFIPXVFZSA-N 441.536 0.690 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)C)C1CC1 1722651368 SORZIXPUIHIUFM-INIZCTEOSA-N 440.570 0.681 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)C1 1722737113 TVYLWFKIPJLKPU-GDBMZVCRSA-N 425.555 0.734 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729374490 UXHJFPROFJLTMY-CZIZESTLSA-N 443.508 0.367 30 10 ICEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1748047652 FWIAGORMMLGPGV-FQEVSTJZSA-N 430.534 0.364 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1748751335 GGVPWQPNIIUZDF-KRWDZBQOSA-N 435.554 0.784 30 10 ICEE C#CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1748764725 UKHGRPXYWDCSIM-NRFANRHFSA-N 427.509 0.930 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760201505 FFMYTFQTJNJPNS-QZTJIDSGSA-N 425.537 0.245 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1760206093 QWFJRALVBFHTHA-MSOLQXFVSA-N 442.545 0.654 30 10 ICEE CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1768257651 YETKYERMXMWHFM-QAPCUYQASA-N 427.527 0.482 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1772566526 CTMBAPMOSJIBKP-HUUCEWRRSA-N 444.565 0.871 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692375 BHIOTRAONIIMJW-LBPRGKRZSA-N 439.322 0.072 30 10 ICEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069355 LNGUKCMARQTIRJ-FQEVSTJZSA-N 436.318 0.781 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1 440136859 RAYQOIHEXMTMKI-UHFFFAOYSA-N 444.531 0.391 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481980264 KMFQLRAIQGVRDE-CQSZACIVSA-N 426.523 0.804 30 10 ICEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 497581254 BAAMDEMOAGLVLP-UHFFFAOYSA-N 427.442 0.431 30 10 ICEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSCC(=O)N2CCOCC2)cc1 503729164 QPVMGEQHYDPXAK-MRXNPFEDSA-N 434.543 0.990 30 10 ICEE Cc1ccc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1S(=O)(=O)NCC#N 541249968 WIQBIJAYTAFIMU-INIZCTEOSA-N 444.517 0.451 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 544078212 AZRBFUBEJGYDAY-UHFFFAOYSA-N 427.511 0.370 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669810988 AUVKJDLKMWTMDH-HNNXBMFYSA-N 433.538 0.800 30 10 ICEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)c1 730145136 XAJXERIUUJUUSB-GOSISDBHSA-N 429.546 0.803 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1=O 734972523 FKUNQJDWDWMEHJ-UHFFFAOYSA-N 448.478 0.991 30 10 ICEE N#CCNC(=O)COC(=O)c1ccc(Br)cc1SCC(=O)NCC#N 747113674 YXKAHWGTOODGRA-UHFFFAOYSA-N 425.264 0.978 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 752621293 CNIPPEDLRNTURP-KRWDZBQOSA-N 434.562 0.324 30 10 ICEE O=C(CC/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 787674942 WEHCLYRQMHKAOO-ALJHCPEFSA-N 427.526 0.740 30 10 ICEE C#CCN(CC#N)C(=O)C[C@@]1(C(=O)N(CC#C)CC#N)CCN(C(=O)OC(C)(C)C)C1 799088733 PUJXCFYZWKGJMH-QFIPXVFZSA-N 425.489 0.974 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)cc1 802586486 PIHBOOUMHAVYHU-HHSBIGSDSA-N 444.460 0.930 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CC(=O)O)cc(OC)c1OC 906823722 RYJXAENKSMNFLM-ZDUSSCGKSA-N 431.488 0.142 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1165508657 SHGQXCRYGUEGRE-IXDOHACOSA-N 440.562 0.900 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)cc1 1169737722 YHJKMCNRYGDWCR-QZTJIDSGSA-N 433.486 0.941 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286390183 YHYJEMGTJZSYLY-ZWKOTPCHSA-N 448.593 0.732 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1300556125 CCVKKTBZGLSVIT-QFBILLFUSA-N 438.623 0.789 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301474666 FIQHNPZAKBGOLW-NRFANRHFSA-N 432.525 0.591 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301500907 QVVMOMYOCPVSQP-DLBZAZTESA-N 432.525 0.650 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1301569271 USFSAIXAFATJOJ-LSDHHAIUSA-N 448.615 0.020 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301589754 WKCGBXWAHHPMSD-ZBFHGGJFSA-N 438.554 0.423 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303034008 BEHYZLWGCKVCJG-XGIGFIBQSA-N 449.515 0.901 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)CC1 1359035806 DZWHGFXCUKSACL-MRXNPFEDSA-N 432.550 0.843 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359056167 ZQCWMJCGGGDJLX-HNNXBMFYSA-N 430.513 0.851 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359126521 RXSMNDMKZPDAMB-MRXNPFEDSA-N 447.540 0.776 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359221585 HGUGRQZBKJQNBN-MRXNPFEDSA-N 445.524 0.580 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1503769529 AWTUFOLFFFGNFW-KRWDZBQOSA-N 426.477 0.309 30 10 ICEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504604409 DZPLALZFXKUNOA-JKSUJKDBSA-N 428.472 0.807 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507739217 OBFZVBTXGNNONM-SJLPKXTDSA-N 449.577 0.573 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507869644 WYFJDASSMAZEDM-DYVFJYSZSA-N 444.945 0.080 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1540863533 YBWYHGSICRDLCQ-CQSZACIVSA-N 428.559 0.584 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541455319 UIBFCIBQCZIUMN-IGCQWYOMSA-N 427.509 0.719 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cn(-c4ccccc4Br)nn3)C2)c(=O)nc1O 1558805943 YRNZXJHDDCBLAG-UHFFFAOYSA-N 442.233 0.861 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1595556119 OLSUFMWONOAZAV-UHFFFAOYSA-N 430.484 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595784864 LRIGMCCQLOUDIM-OAHLLOKOSA-N 439.563 0.954 30 10 ICEE O=[N+]([O-])c1ccc(O)c(/C=N/NC2=N[C@@H](Nc3ccccc3)N[C@H](N3CCOCC3)N2)c1 1616176070 BPKKQCXCPWLQPR-MJWAHQGTSA-N 440.464 0.784 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1619770105 ZSZKHRXBMKHNRY-JBYIUTFZSA-N 443.504 0.964 30 10 ICEE CNC(=O)NC[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1620525843 VAWWMWCPVGZHPD-MOPGFXCFSA-N 432.500 0.164 30 10 ICEE COC(=O)[C@@]12C[C@@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]1C2 1637756872 ILDZMWGSFVGKSK-GUXCAODWSA-N 432.502 0.916 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1648004742 DFUCDMZAOKGFCD-INIZCTEOSA-N 428.894 0.844 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681300112 DNMFFKYVFNAMHD-DLBZAZTESA-N 435.506 0.013 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1689987716 BDYYBTOYCSZXLQ-SFHVURJKSA-N 446.577 0.853 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1689989534 GNBDRZJFBUKHPK-LXTVHRRPSA-N 430.527 0.337 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 1690109250 LRMGRYOHRKZIMN-UHFFFAOYSA-N 427.484 0.949 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)CC1 1690112418 XKYQEEAZBYYJTC-HUUCEWRRSA-N 444.652 0.492 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CCCOC)CC1 1690122087 FPCVLUGKVSDIHV-UHFFFAOYSA-N 443.552 0.729 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)CN(C)C2=O)CC1 1690138095 RWNPJVIJQAPVCX-AOMKIAJQSA-N 446.552 0.446 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(CS(C)(=O)=O)CC2)CC1 1690152230 CQVQAEYVWMCESL-UHFFFAOYSA-N 437.566 0.605 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1690662899 FWZVZVBZPMACBJ-MRXNPFEDSA-N 446.533 0.366 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690724742 VSCUWSDEZGVEIK-MRXNPFEDSA-N 449.533 0.938 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1705564615 DCQVYRMJQLCVPG-DOTOQJQBSA-N 449.533 0.982 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1705853814 FHAFWQWNURWXQN-GOEBONIOSA-N 443.595 0.759 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2ccccn2)CC1 1722430713 IJBDNRMKQIKATP-KRWDZBQOSA-N 446.581 0.541 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1722621662 BGNZIEWDODGPQE-JKSUJKDBSA-N 428.559 0.002 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722700887 YAOICTSENIUDAI-UHFFFAOYSA-N 446.515 0.924 30 10 ICEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722742169 KIIQSGLDLDFHFJ-INIZCTEOSA-N 427.534 0.330 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740548499 GTRIURVCTMWNAW-RNODOKPDSA-N 442.501 0.601 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740992401 PCMNXEDFPYXQME-XHSDSOJGSA-N 446.595 0.642 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1741730633 CSJKKCOJYXYPCF-KXBFYZLASA-N 439.538 0.625 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749194275 ZTOGSAZXRYXDKK-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCOC2)n1 1760252781 REJXFUFXQFNIIV-QFIPXVFZSA-N 439.520 0.918 30 10 ICEE CCc1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763017415 NUCIXGPBRMEALK-BMINWGARSA-N 434.522 0.382 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1765921591 GFMNNONSJAIJDX-IIDMSEBBSA-N 425.511 0.094 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1767422804 CCFIJACRWNNMAL-UHFFFAOYSA-N 426.449 0.679 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(F)CCC2)C1 1771362787 KBAKOYKUMSCJTE-GJZGRUSLSA-N 442.517 0.622 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)[C@@H](C)C2=O)CC1=O 1857096250 JLKYEZFNFWONLE-STQMWFEESA-N 441.456 0.747 30 10 ICEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404105 KCRFONPDWVXDPH-SNVBAGLBSA-N 444.319 0.669 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)CC1 444970413 XUVZZZFZUFJSET-UHFFFAOYSA-N 442.564 0.802 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@@H]1CCCO1 544077807 OOBWFPBPYNARBA-AWEZNQCLSA-N 441.538 0.585 30 10 ICEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544079009 ICGDSCUHPBHCKI-UHFFFAOYSA-N 443.554 0.833 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 555248537 WTNDOVXBUIPGIN-HUUCEWRRSA-N 426.543 0.279 30 10 ICEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586859561 BEIBQYQBLKDWTM-INIZCTEOSA-N 429.496 0.859 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(CC=C)c(S)nc3c2)CC1 758661268 HAKQCDMKORKZBG-UHFFFAOYSA-N 427.530 0.931 30 10 ICEE COCc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 761223919 VDNBBPRXSGRNNU-UHFFFAOYSA-N 447.469 0.988 30 10 ICEE CN1CC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 773973579 AIVWHFMJEOCERK-IAGOWNOFSA-N 432.502 0.987 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1 1160604123 BRXNQYXATZFJIJ-GOSISDBHSA-N 435.546 0.393 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)CC1 1175515072 QTNRIGWQLCGXHL-HNNXBMFYSA-N 446.595 0.341 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CC1 1223960782 SXVACZZSPLRZQP-UHFFFAOYSA-N 442.545 0.656 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286397949 VNYPKVRLGQQJHY-MSOLQXFVSA-N 449.577 0.986 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CC(F)(F)CO)CC3)C2=O)cc1 1300072413 GARJZQYOSAYRBR-MRXNPFEDSA-N 435.431 0.535 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1300703190 BDAMGOTWPXQMHL-LJQANCHMSA-N 435.575 0.235 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300885632 RIRCACMTFGGJME-MTNOOBJLSA-N 432.525 0.552 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301478317 IZRQVOOIRUDOEV-UHFFFAOYSA-N 446.556 0.446 30 10 ICEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301623496 UYVFLGDLOAWXOH-OAHLLOKOSA-N 448.553 0.518 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1302487716 ZUIAUXUKOJLNTB-UHFFFAOYSA-N 448.549 0.734 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)CCOC1 1303476973 JYNIHQCABZWYDE-QAPCUYQASA-N 428.559 0.948 30 10 ICEE COC(=O)[C@@](C)(Cn1cccn1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1308144838 DBSWFOAXPVRVDU-DENIHFKCSA-N 442.495 0.953 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1358885685 OMFPYAYIKDTIRR-CQSZACIVSA-N 445.487 0.803 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NCC)CC1 1359296816 VNPQZZWURMJDHT-UHFFFAOYSA-N 441.492 0.828 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)C1=O 1437236923 VTPLKSDTYNATBR-UHFFFAOYSA-N 444.410 0.899 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2Br)CC1 1478580133 VCABOUSBZFJGMA-UHFFFAOYSA-N 429.340 0.786 30 10 ICEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1504410273 JKDOJCBNSVCAPI-INIZCTEOSA-N 434.522 0.546 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 1507799832 LBTLFAYJIQBSOL-UXLLHSPISA-N 438.554 0.292 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508130648 IPTWTCBJRNCRJP-HUUCEWRRSA-N 438.554 0.265 30 10 ICEE C#CCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@@H]1CCS(=O)(=O)C1 1520935670 VAUBBJRYYOFWEW-LSDHHAIUSA-N 427.523 0.103 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1539629744 YEORJELVRHEIOI-LPHOPBHVSA-N 429.525 0.955 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540864989 RAYMRNQQLOXEAQ-IYBDPMFKSA-N 433.490 0.212 30 10 ICEE CCOc1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nn1 1585401035 BQOBNUKGHXZHCC-UHFFFAOYSA-N 444.517 0.653 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1587856568 NGLDYXMPRVAREH-RBUKOAKNSA-N 434.610 0.810 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595595498 WNPXARKEWHPNDP-OAHLLOKOSA-N 428.493 0.835 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1595778238 XLDNDDAHEFAYMF-KRWDZBQOSA-N 444.517 0.369 30 10 ICEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@H](C)C1 1596183328 FUPODUQAWLKFFX-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CCOCC1 1631534935 PPGYHEGNPLCPRL-LJQANCHMSA-N 434.562 0.850 30 10 ICEE COc1ccc(NC(=O)CN2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1660381611 IRTFMUSVTNROMV-LJQANCHMSA-N 438.506 0.269 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1690019672 ORZJXKZBXVZUOQ-IBGZPJMESA-N 439.541 0.991 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1690731635 OYEOVLNXTWIOEY-MRXNPFEDSA-N 438.554 0.724 30 10 ICEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1698092850 RODUBHOROKGIAJ-CZIZESTLSA-N 429.525 0.840 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCOCC1 1698255106 QAAXSWIVJOMOJY-FHWLQOOXSA-N 434.541 0.843 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705480338 UNDCTNSFLGPWDP-IPELMVKDSA-N 426.539 0.326 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705589174 OEHDRALPHAWFTN-MRXNPFEDSA-N 430.534 0.407 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705597059 VKJININFWALESX-RBUKOAKNSA-N 439.564 0.635 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1705929978 CFZWPCJFSKXEDW-STQMWFEESA-N 437.613 0.431 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722367540 WLEYDCCXYSEZOI-OXJNMPFZSA-N 438.550 0.472 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722371126 UFJBCHOXYUHFGY-CHWSQXEVSA-N 431.465 0.138 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1722403107 VCVVPKOCOIVVTR-AWEZNQCLSA-N 430.534 0.682 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722706645 WIXSOZXYGOZBET-CRAIPNDOSA-N 440.504 0.883 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740785779 BKSTVNNKBXQQNG-NRFANRHFSA-N 434.541 0.680 30 10 ICEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)C2 1742017430 SENNSQBKSBPNNQ-LJQANCHMSA-N 445.505 0.397 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748647088 IPGZYLALKDHYLA-FOVKVLHESA-N 428.493 0.915 30 10 ICEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1749154168 NUTSZGLSPMDXHU-LJQANCHMSA-N 437.522 0.958 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NC)C1 1749731904 NGXROZCTWSNOSM-HOTGVXAUSA-N 425.555 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749732530 YIATUXWOBNBZNK-SJLPKXTDSA-N 434.566 0.949 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1750201186 JUTGPMVTLKHNAE-YOEHRIQHSA-N 447.558 0.837 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1760522191 NNOGLDABVHNTBG-JYJNAYRXSA-N 438.554 0.292 30 10 ICEE C=C(C)CN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)C1 1854489742 MYWMQJFKFBYNPK-CYBMUJFWSA-N 428.415 0.864 30 10 ICEE C#CCOc1cn(CCOCCO)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871007929 ZDRPBRYRSZJHSR-UHFFFAOYSA-N 425.441 0.707 30 10 ICEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873595439 CJYAWJQKSSPEMO-UHFFFAOYSA-N 438.536 0.748 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ncnc4c3nnn4CC)CC2)cs1 1890773809 IJZQULKLNWDXII-UHFFFAOYSA-N 427.494 0.576 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 18039255 RIXXBEWCBCSCQH-UHFFFAOYSA-N 428.470 0.569 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)cn1 765144651 ANFGRICHZXRHCW-UHFFFAOYSA-N 438.513 0.678 30 10 ICEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ncn(C)n2)C1=O 768418412 STHWBFWKYOPSQQ-MLVIZHJXSA-N 444.565 0.321 30 10 ICEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 781398546 YUOQHDGEMNVQSE-GOSISDBHSA-N 431.514 0.464 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 790163624 VURQJXMVIIQMJU-ZDUSSCGKSA-N 448.950 0.861 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 803848713 VQSKMCQQRZTCPW-UHFFFAOYSA-N 430.442 0.770 30 10 ICEE COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 917770077 VQNOHEHJVLFDML-UHFFFAOYSA-N 440.525 0.294 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 1175524026 VVEJBHWWAYGAJM-HZPDHXFCSA-N 428.555 0.491 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1300579680 YIKBWBMVKMZEKP-FXAWDEMLSA-N 435.550 0.643 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1300916436 XBCYBUPAFQGZOU-QFBILLFUSA-N 443.570 0.819 30 10 ICEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301238896 HBKJLJYLWLSISL-GOSISDBHSA-N 448.568 0.892 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301496840 IGOAJPDUFKTZJA-UHFFFAOYSA-N 448.487 0.705 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1301576006 OZUVKLZDPHCZEB-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNS(C)(=O)=O 1302685939 VBDQGZZRZNEXLY-HNNXBMFYSA-N 447.569 0.718 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1303557353 CKHATGARLRNRBN-MRXNPFEDSA-N 425.576 0.969 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1 1359332896 JULSNZUFNVHARU-QGZVFWFLSA-N 425.555 0.735 30 10 ICEE COCC(COC)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1468984247 FCKHQLJFFHIVGP-HNNXBMFYSA-N 438.550 0.309 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1477831699 MKVXGWILRKTXNO-INIZCTEOSA-N 443.570 0.428 30 10 ICEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1=O 1502303694 HTQIDRRNZWTHCC-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1519403026 BTGCCEWGOFALFW-PMPSAXMXSA-N 426.543 0.776 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1539012015 DLCSXIAOWJRYKG-IUVQAAGXSA-N 425.555 0.620 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCN(C)C2)c1 1539046142 NWDFLSKSIWYZJP-JOCHJYFZSA-N 426.521 0.937 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1539215789 JEUGNIBFFCDQHB-MRXNPFEDSA-N 439.501 0.814 30 10 ICEE CN1C[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540662533 RKGWHHQMQHURHG-MRXNPFEDSA-N 428.493 0.680 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)c1C#N 1543001892 HDCIJCWVGRFINW-UHFFFAOYSA-N 439.524 0.912 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1587989899 PZLOITVQJFKMTQ-OAHLLOKOSA-N 438.485 0.294 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588035605 VWHYMNGFEVABBS-WBVHZDCISA-N 436.538 0.411 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)C[C@H]1CS(=O)(=O)C2 1597372350 UPHLBRRMJGKYLX-KXBFYZLASA-N 446.510 0.315 30 10 ICEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=S)Nc3ccc(OC)cc3)CN12 1613879952 DCPGYYIWRJOTLK-LZLYRXPVSA-N 429.546 0.453 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 1620583885 AEGAAWUYHWDIFN-SFHVURJKSA-N 429.502 0.911 30 10 ICEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1627518328 UDRTUHMFDRPYSZ-HNNXBMFYSA-N 444.517 0.270 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC1 1636480411 QBDXUKFGHPONBD-UHFFFAOYSA-N 440.525 0.945 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CCc4cnccn4)CC3)C2=O)cc1 1643281100 PFAVTBASOLNPKE-FQEVSTJZSA-N 447.499 0.940 30 10 ICEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c(=O)n1CCO 1652166602 GFIXDLCFXNAGES-NSHDSACASA-N 440.378 0.958 30 10 ICEE N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653196186 UOIJWKCXDXVVDH-BPRAZLKKSA-N 430.530 0.855 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689986654 UPVZLHKBYSWNBY-OHZJNBGDSA-N 435.575 0.821 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689994261 VEJPWRBSXIEOSW-KRWDZBQOSA-N 430.534 0.417 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O 1690107811 DJAZNXOJBNJMJG-HZPDHXFCSA-N 427.571 0.832 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690345779 CWLSHRFNKNBBQV-BLLLJJGKSA-N 432.934 0.065 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1705582879 LMOYFBIZTXVXNZ-AWEZNQCLSA-N 431.465 0.313 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705829254 LMLJLMVPNXAONY-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1722402398 MEGOVJFWSBEYQJ-IRXDYDNUSA-N 426.587 0.705 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1722690009 CVMXDBKHKZDWFR-DOTOQJQBSA-N 448.549 0.768 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1722724815 GXEUCCHKSKXHLR-UHFFFAOYSA-N 447.565 0.739 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)NC 1740650789 NRASYRGZMZVWEK-UHFFFAOYSA-N 431.518 0.974 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1741730853 FSRATJQFCCXYTE-FZKQIMNGSA-N 428.440 0.429 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748814615 HMJOSDSYPBAKRQ-UONOGXRCSA-N 435.506 0.667 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748819894 UGHUSQPTFYSXAE-GOSISDBHSA-N 444.561 0.805 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1748857520 BRQXIDIKXWJXSZ-QGZVFWFLSA-N 437.566 0.747 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1749575557 TZNLENOWPMCBRS-KRWDZBQOSA-N 435.554 0.880 30 10 ICEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760165404 RESKGBMJHKKISI-APWZRJJASA-N 425.555 0.670 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)CC1 1760251819 IJWGVMGCDKQCNI-UHFFFAOYSA-N 435.532 0.611 30 10 ICEE CC(C)Cc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761019143 QOYNGMOLGPLAHH-IGCQWYOMSA-N 427.509 0.862 30 10 ICEE O=C1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1771571900 CIUQYOCGFHHSKW-FBMGVBCBSA-N 442.867 0.456 30 10 ICEE CN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1=O 1851828278 LNSXOXOQEPVJQE-IBGZPJMESA-N 426.498 0.748 30 10 ICEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 500821399 KWSVVYOLOWUGMI-UHFFFAOYSA-N 435.893 0.982 30 10 ICEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 512517263 SVKUHTQINQMWEH-MRXNPFEDSA-N 442.559 0.831 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 554982560 PEEDGADEHXNRIC-UHFFFAOYSA-N 438.460 0.773 30 10 ICEE CN(CCS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 732668955 CIHRBMNEHBKWLI-INIZCTEOSA-N 430.527 0.448 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1CS(=O)(=O)C1 787453735 NSTWQBGAAJQQAP-HNNXBMFYSA-N 427.548 0.691 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)s2)s1 1135283872 SAAHHYVCTRLUJT-UHFFFAOYSA-N 435.574 0.780 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1136632591 DGOGCTANZHHJGE-UHFFFAOYSA-N 433.306 0.983 30 10 ICEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1n1cccn1 1251157142 VVPHPSKKQIJCHG-BZUAXINKSA-N 427.465 0.781 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1286381258 FTKPXYDVELEIMW-MSOLQXFVSA-N 438.513 0.722 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cc[nH]n2)CC1 1286495320 UNZAVCUGMLHEAL-QGZVFWFLSA-N 440.508 0.249 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N1CCOCC1 1293112946 AJAFVWVUEOZBAR-SJORKVTESA-N 425.541 0.938 30 10 ICEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300545300 NFHQHCMJOKXQPM-SFHVURJKSA-N 429.550 0.494 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1300587785 YQJOKJTVGIFMGR-JOCHJYFZSA-N 442.541 0.890 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1300991922 YALZOOBVOBNFKR-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1302223296 RVGKEIUBTPBOHW-INIZCTEOSA-N 448.549 0.950 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1303334830 NCZHSJHLCQJMGU-JATKITJMSA-N 425.532 0.697 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1311408808 WOIUJGORWXFGTA-MRXNPFEDSA-N 435.550 0.510 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359031137 RFYYCXUENWGXJU-DXIQSLLYSA-N 433.553 0.737 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539223033 YRFOKAXFJNSXGM-DLBZAZTESA-N 437.566 0.667 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539229421 CKQSZOOWJUSRHZ-ZWKOTPCHSA-N 448.593 0.367 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1540863443 WNYBCWPRJXJTQZ-AWEZNQCLSA-N 426.543 0.197 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1540871400 KZUOBWHVKOYQQF-KFWWJZLASA-N 426.543 0.148 30 10 ICEE CN(C)S(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1552888543 VYJZXZSXKRGRMQ-CYBMUJFWSA-N 440.476 0.767 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1=O 1555584325 DJVMFZYVPNBGSD-ZHRRBRCNSA-N 440.504 0.652 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1588138748 IPIZHOXJGZDTGC-INIZCTEOSA-N 426.564 0.468 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](C)C1 1595760876 UNDFUPBVGSWJGQ-KFWWJZLASA-N 433.600 0.971 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1596282128 CYVOXUFHDZEGKH-UHFFFAOYSA-N 436.520 0.307 30 10 ICEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC#C[C@@H]1CCCCO1 1606801021 BKQGIUNULNWQDV-FUHWJXTLSA-N 436.530 0.917 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)ccc1F 1632424543 HBIABUKJINSPQL-GOSISDBHSA-N 425.438 0.824 30 10 ICEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1641584708 UOCPQXXLDSICCY-UHFFFAOYSA-N 448.526 0.563 30 10 ICEE COC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 1653865267 OUASLVGQANGYPP-UAGQMJEPSA-N 428.445 0.705 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 1658789007 WDUXZJVSJYAZNG-UHFFFAOYSA-N 433.477 0.933 30 10 ICEE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1660309983 OCKJMBZJWHGNCZ-CUWPLCDZSA-N 434.562 0.048 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1689877128 QYTIZVCYRJKLSE-MRXNPFEDSA-N 434.570 0.752 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690156209 UAMSKFHYYMMDMN-XHSDSOJGSA-N 443.595 0.639 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1690676994 KJPFYBCGDWESHP-OAHLLOKOSA-N 442.476 0.809 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1705551165 IEQRRUKSGDRCKP-QAPCUYQASA-N 431.518 0.857 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705558772 HLWOHUAVDPFDQX-KRWDZBQOSA-N 445.545 0.991 30 10 ICEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1705806018 UWTZYJCPUPVSBH-CVEARBPZSA-N 440.570 0.669 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705892639 VAAKBOSZUPFITP-UHFFFAOYSA-N 443.552 0.527 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740617637 UTDZUBGKQQJRQB-HOTGVXAUSA-N 449.499 0.866 30 10 ICEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740617739 WPFUTMKUVDYBHK-OXJNMPFZSA-N 440.566 0.716 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1740618224 FGEPRSRYXLULOL-OXQOHEQNSA-N 433.534 0.540 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1740621953 QUHLHBKJBRIYOW-HUUCEWRRSA-N 437.547 0.335 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740689216 RVTBUGMMGHZXQJ-FQEVSTJZSA-N 443.596 0.770 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1748962867 SQOGZGCGSLIGFE-GOSISDBHSA-N 438.536 0.817 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(C(N)=O)CCCC2)CC1 1749008548 CBRRMEVTJZLZRN-UHFFFAOYSA-N 436.520 0.747 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1749119952 YRVIQRXXSXVQST-ZNMIVQPWSA-N 447.583 0.104 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1749245337 HBKMUULFNIAHDJ-UHFFFAOYSA-N 437.504 0.638 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760272079 XSPRHEJSNONQHY-INIZCTEOSA-N 427.509 0.185 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1761362614 FAOVEAHHPBCYCV-IAGOWNOFSA-N 439.586 0.835 30 10 ICEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255624915 JZOJXVQQDZZTIS-ZIAGYGMSSA-N 436.318 0.429 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255711879 FXBRQOCXHVLMGA-UHFFFAOYSA-N 439.318 0.292 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 2282850446 PAKDMVGXCVZPAQ-CQSZACIVSA-N 427.332 0.635 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2334390683 HYIPCTFMZHEZNM-VNQPRFMTSA-N 449.313 0.660 30 10 ICEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 409541106 NOZJNEWUAHRJGD-ZDUSSCGKSA-N 436.581 0.585 30 10 ICEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 503395663 KIQIPEBYBLPVON-SFHVURJKSA-N 426.495 0.910 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508828121 UCQLESFPRNDGDX-HUUCEWRRSA-N 426.543 0.150 30 10 ICEE O=C([C@@H]1CCCN(CC#CCN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1)N1CCOCC1 530360273 SONCZTLECGUWBP-FGZHOGPDSA-N 446.592 0.131 30 10 ICEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)ccc1SC 589156869 CFJUAPVVUQMVEO-UHFFFAOYSA-N 443.550 0.998 30 10 ICEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cc1 603796959 GZIBAXYLMXVFKJ-UHFFFAOYSA-N 440.569 0.578 30 10 ICEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCC1 771073015 CDFSUKIGVAVUKU-QGZVFWFLSA-N 430.486 0.602 30 10 ICEE CCOC(=O)C[C@H](CO)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 820053816 DZFOBOHDNSEESZ-UKRRQHHQSA-N 425.507 0.570 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(COc3ccccc3)n2)CC1 1152972905 FHWVHPASLQMSMD-UHFFFAOYSA-N 434.543 0.876 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1157009359 LQONTSNWFGLTRM-INIZCTEOSA-N 444.536 0.641 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286496130 NZYHROKTJDIUHJ-DAYGRLMNSA-N 443.595 0.639 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286507701 BTQZNBPVMMFZIV-RDBSUJKOSA-N 426.520 0.661 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286789182 ARWZIZVRQSTVFX-MRXNPFEDSA-N 425.493 0.416 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1286820160 GFCXKFGESVADSM-WMLDXEAASA-N 447.517 0.703 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1300320945 JUYFBDSVOJMYHM-HNNXBMFYSA-N 430.534 0.976 30 10 ICEE CC(C)Cc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302981496 DSDPOBCGCKWCHF-XDSRXIPYSA-N 430.509 0.999 30 10 ICEE CC1=CN2C(=O)[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c3csc(N)n3)[C@@H]2SC1 1307335731 ITQRSTUCWZVUCT-MFKMUULPSA-N 425.492 0.613 30 10 ICEE COCCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1316047557 VLVUBADKYHNWOZ-ZZEZOPTASA-N 445.524 0.482 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 1351599561 CDRMIQHPUIHPDA-BGYRXZFFSA-N 435.480 0.811 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359035062 JYCJHYMOOHCJTN-MSOLQXFVSA-N 436.582 0.699 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1359091154 JRRFSTZESCXXDC-DLTWYDFYSA-N 440.570 0.536 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359326661 GZPZQAZFVYECIX-HNNXBMFYSA-N 433.600 0.768 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1359336038 CDORCVWDDDDGMK-UHFFFAOYSA-N 435.598 0.691 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCO[C@@](C)(C#N)C3)CS(=O)(=O)[C@H]2C1 1472148966 KXPMBQMZPXBXHT-CUYVQJCZSA-N 427.523 0.798 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1494126235 BNBHHUGEKBEPLA-QGZVFWFLSA-N 441.536 0.974 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1504888651 XEFDXZVCGVSGOT-HUUCEWRRSA-N 438.554 0.461 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507623288 URGMAISZJOOEEJ-JXFKEZNVSA-N 435.550 0.710 30 10 ICEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1507641346 CSBZVNBPCVYWQB-ZSVKVYQISA-N 438.488 0.529 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507746564 SAPCOJYQAZAMMJ-KBPBESRZSA-N 429.568 0.644 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1508086924 MPMXTFGKVXWGHA-MRXNPFEDSA-N 425.493 0.915 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508091062 RFHNZLXPNJYHGJ-JKSUJKDBSA-N 440.570 0.240 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)C1 1508123464 IJUDBXBAPZGVRH-GVDBMIGSSA-N 441.554 0.571 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1539631551 MBFPUWUZCOXVII-ZACQAIPSSA-N 425.555 0.845 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1539731146 YWYHRGUBLUCRQA-HZPDHXFCSA-N 428.559 0.002 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)C1=O 1584254739 MWBIAUAKMSSQAQ-GFCCVEGCSA-N 438.362 0.600 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1588024754 KXHCWKGUAABTNV-CABCVRRESA-N 425.580 0.796 30 10 ICEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC)CC1 1588864645 IHRBDLFUVUSHMH-UHFFFAOYSA-N 441.561 0.586 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595754984 RXAVETOZIVYORX-HNNXBMFYSA-N 438.554 0.172 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1618840536 SFCCUYWYVBKXAO-HZPDHXFCSA-N 429.506 0.081 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1619904228 BSDDMQOSTJJSGU-UHFFFAOYSA-N 449.573 0.938 30 10 ICEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1620357146 SDMXDURRODATAG-UONOGXRCSA-N 427.431 0.985 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(I)c2)CC1 1622815042 DBTXVUUATKNFPS-UHFFFAOYSA-N 448.286 0.908 30 10 ICEE N#Cc1cn(CCNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c(=O)nc1O 1633550698 XUDWLPLOUGBITC-CQSZACIVSA-N 446.261 0.752 30 10 ICEE C#C[C@@H]1CCCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1654036791 LRYHUFUQMZUWAK-QGZVFWFLSA-N 439.516 0.904 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 1654376863 HTIGZHPWZMNJFM-UHFFFAOYSA-N 441.513 0.786 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1689847760 HMOZRZOSNCVFJF-INIZCTEOSA-N 449.515 0.992 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1696084564 BZLDVSHNUBVBCW-QRWLVFNGSA-N 430.465 0.682 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1705580335 IMXSZJBWHNLZTG-UHFFFAOYSA-N 427.472 0.934 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1705754780 FXFYCRXNSMKDSD-CYBMUJFWSA-N 432.934 0.065 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC)C1 1722717814 DUNCJSGYHSITKZ-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1727658286 DFIXPHYUCCTCEI-HTAPYJJXSA-N 437.504 0.922 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1730585734 DVTCPSGIWGPZCK-SFHVURJKSA-N 440.504 0.950 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1740688846 VQOMEEGIZGBOQR-UHFFFAOYSA-N 432.525 0.965 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740788866 YMKRPZIZHMGPMO-IHRRRGAJSA-N 429.499 0.595 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1740965228 MWKHZZGXMYJTBK-UHFFFAOYSA-N 444.540 0.935 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(C)(C)C 1740995372 JMRWRCQFWCUJBA-UHFFFAOYSA-N 426.587 0.435 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1748820002 WWEYPOYAUGKZMH-CEXWTWQISA-N 445.545 0.431 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1748835564 FSFAXIITSHZWQO-UHFFFAOYSA-N 431.460 0.836 30 10 ICEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1760249037 UMKPBZLSRDLTPC-UHFFFAOYSA-N 430.490 0.725 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760521326 PVGYPCVJGAKTIN-CQSZACIVSA-N 445.553 0.408 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760688460 IAJWMQIIMPOESW-KGLIPLIRSA-N 445.549 0.818 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1760697167 XGLRVRJVRVXLBB-OWCLPIDISA-N 442.542 0.012 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)CC1 1889805615 MNNGRISGNBFDBE-HXUWFJFHSA-N 440.610 0.059 30 10 ICEE C=CCOc1ccc(/C=N/Nc2nc3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1 1757378 IBZXNBLIWOXDRM-BFOYEYIUSA-N 441.448 0.031 30 10 ICEE Cn1c(=O)c2c(ncn2CC(=O)NCC#CCOc2cccc3cccnc23)n(C)c1=O 90743053 HPUYZJSNGSZNBD-UHFFFAOYSA-N 432.440 0.181 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 434795932 SNCCYPTYICJVEM-LAUBAEHRSA-N 428.468 0.209 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443518644 DHQCADIIXSRLME-UHFFFAOYSA-N 427.324 0.929 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482556954 LNSQGSZETITMEH-ZDUSSCGKSA-N 426.523 0.827 30 10 ICEE C=CCn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(F)(F)Oc1ccccc1 508865645 WFNVMUVMOMPSDV-UHFFFAOYSA-N 445.434 0.928 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 538916959 JSNLLHAGSPEKEC-PXNSSMCTSA-N 434.518 0.912 30 10 ICEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)C1 749791876 LJRIRRIWEYGYEY-NRFANRHFSA-N 447.580 0.629 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 751727416 KIZYJFWNKLOVOW-UHFFFAOYSA-N 446.485 0.391 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 1140132793 OVJHPRDXAWYKDZ-GOSISDBHSA-N 426.286 0.689 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)C2)C1 1156513630 UHDOEURVMIOIAJ-QRTVALKISA-N 431.493 0.974 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286503395 AKVLHDYHFHOZRG-HUUCEWRRSA-N 425.580 0.999 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286509345 OZNZPTSBWOTTCU-IRXDYDNUSA-N 441.623 0.704 30 10 ICEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1297954090 DXQRWRIUOKXYLS-QRVBRYPASA-N 445.568 0.844 30 10 ICEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1298064967 DGFWBGAGTINFHN-MUUNZHRXSA-N 440.543 0.776 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1300509700 SCTFMNOTHRKJNB-OAHLLOKOSA-N 445.501 0.769 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1301222800 GOTNYPIYTXVWBL-HNNXBMFYSA-N 426.543 0.279 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1301222801 GOTNYPIYTXVWBL-OAHLLOKOSA-N 426.543 0.279 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301491565 LGNWRVMYBJYXIJ-UHFFFAOYSA-N 430.472 0.775 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1358994534 PKCULOJYLNUSME-GOSISDBHSA-N 431.562 0.950 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1359034742 BNHIXWLYBQJFMR-MOPGFXCFSA-N 429.569 0.221 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C2CC2)CC1 1359045370 FGLDLIQJXNPCJL-MSOLQXFVSA-N 449.577 0.571 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 1359178805 CFUACNITSYVOLM-MRXNPFEDSA-N 425.555 0.928 30 10 ICEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)Cc3ccc(C#N)nc3)cc2)CC1 1456402139 CCLWEWQUNIKINE-UHFFFAOYSA-N 428.470 0.819 30 10 ICEE N#Cc1cn(CC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(=O)nc1O 1463556893 KTLCIFVLRQJXJD-UHFFFAOYSA-N 429.305 0.865 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 1464013213 MLKFTHHYNLMFDQ-LBPRGKRZSA-N 425.264 0.999 30 10 ICEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nc[nH]n2)CC1 1469827560 MAHUNRGZNWKZNI-UHFFFAOYSA-N 445.549 0.748 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1 1475622957 MHINXHNEYOLLKI-UHFFFAOYSA-N 427.548 0.151 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1507710205 CTPHRWOCEHJSEO-OAHLLOKOSA-N 446.595 0.480 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508072283 IOUBYLCMGZOBRF-HOCLYGCPSA-N 425.449 0.870 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1538974146 RDZXUNACSXOZSK-QAETUUGQSA-N 426.587 0.846 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1539201071 VIPHYCWXOMBMDO-AWEZNQCLSA-N 445.492 0.423 30 10 ICEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1539504551 JYMNEHMFMDFEPZ-MRXNPFEDSA-N 437.533 0.989 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540897213 DGRIAPMIYUPSGF-CQSZACIVSA-N 438.554 0.913 30 10 ICEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1541699029 HAZAQVWLFVDTLX-UHFFFAOYSA-N 445.549 0.813 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c1 1542111616 MUFKRRLJJPMDCD-FZKQIMNGSA-N 435.527 0.854 30 10 ICEE CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]2CCN(O)C2=O)cc1 1569561009 ODGJSNGLBFYCFG-HOTGVXAUSA-N 439.534 0.624 30 10 ICEE N#Cc1cn(CC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(=O)nc1O 1570711478 IJKZGJUAHUPJAW-OAHLLOKOSA-N 427.436 0.905 30 10 ICEE C=CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1583031045 LVVZYEFCGSDUSW-KBPBESRZSA-N 438.568 0.516 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1611320859 AKBOGLXPNYCXLM-UONOGXRCSA-N 444.435 0.706 30 10 ICEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cc(C)cc(C#N)c1=O 1613862505 BQQMSRINJNJLCE-UHFFFAOYSA-N 446.485 0.697 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1617385514 CPMAQSWWWWQAMH-AWEZNQCLSA-N 431.522 0.423 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4nc(O)c(C#N)cc4C)CC3)C2=O)n(C)n1 1638408922 SBBJXFJCBWKTRN-KRWDZBQOSA-N 437.504 0.963 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1692541068 VKDLETOIELBFDG-QZTJIDSGSA-N 431.541 0.788 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705638042 WCIVOSCJBTWGAT-FQEVSTJZSA-N 426.569 0.791 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2OC)C1 1705914748 FDKGWPAOKRZKIG-NXOAAHMSSA-N 443.570 0.721 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)N(C)C)CC1 1722442688 YTPQKAKUSJXRAW-UHFFFAOYSA-N 446.577 0.812 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722452199 RYOPGFKTENXMES-CXAGYDPISA-N 442.567 0.286 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1727654712 SUTPTDOTFWHYQI-INIZCTEOSA-N 431.522 0.471 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740959056 ZFGJTMUVEXNICX-ROUUACIJSA-N 435.488 0.981 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1747194122 WCWQBXUPXHCWIY-INIZCTEOSA-N 445.549 0.843 30 10 ICEE CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747211829 DUKNLWVTKUEJRI-JGWKNBOWSA-N 429.481 0.152 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749413775 YDVFWWZSVXPCSZ-WMLDXEAASA-N 431.584 0.870 30 10 ICEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750094455 DMJJBOFWRLZSDO-UHFFFAOYSA-N 442.524 0.673 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1760187695 LKGPAKNDPDPODB-JKSUJKDBSA-N 432.481 0.438 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760280185 DGAOLWYEMMPEQU-HZPDHXFCSA-N 435.579 0.980 30 10 ICEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760421552 SJEGIMGKTMOSQM-HNNXBMFYSA-N 438.492 0.429 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)CCN1C1CC1 1770748840 SETXMGHLQCLTRO-SJLPKXTDSA-N 436.582 0.909 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cn(C3CCSCC3)nn2)C1=O 1854160664 KEKFRGLELYJHIE-IAGOWNOFSA-N 432.550 0.806 30 10 ICEE COCCN(CC(=O)N1CCN([C@H](C)CCC#N)C2(CCCCC2)C1=O)S(C)(=O)=O 1854450138 YDPGSBIIEZQEQX-QGZVFWFLSA-N 442.582 0.960 30 10 ICEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2cncc(Cl)n2)C1)[C@H]1CCN(C)C1=O 1857050161 FGHIABCFKZQSMP-GJZGRUSLSA-N 435.912 0.993 30 10 ICEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867613707 TWAYPLBVUKBUTI-ROUUACIJSA-N 430.486 0.838 30 10 ICEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870386123 AWACSMLXDZSASF-UHFFFAOYSA-N 440.548 0.858 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2255880818 LHODODBZOZLTHF-UHFFFAOYSA-N 433.318 0.950 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 476992691 UBKGQSJGECZVEC-KRWDZBQOSA-N 436.538 0.273 30 10 ICEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 478749771 WXAXHTKZNOKBGG-INIZCTEOSA-N 443.525 0.334 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 494388290 VNRAOEYPBHVGLD-MRXNPFEDSA-N 435.424 0.957 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497555176 SHAPNMJFCHKJKR-UHFFFAOYSA-N 437.506 0.493 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C)C(=O)NCCCOC)CC3)cc2C1=O 505990154 FFHQTTLZARLHGP-INIZCTEOSA-N 442.516 0.768 30 10 ICEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 506891313 NXJZXOZHPXPFCN-JKSUJKDBSA-N 432.506 0.865 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 508824607 IALRJOBRDPBKMM-AWEZNQCLSA-N 440.551 0.828 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 538916961 JSNLLHAGSPEKEC-YLJYHZDGSA-N 434.518 0.912 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 735069520 VLUVXIPZJLUNPE-KRWDZBQOSA-N 441.557 0.821 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C2CCOCC2)C1=O 747437385 PZKHFMPPPWAEMH-MRXNPFEDSA-N 434.518 0.401 30 10 ICEE C#CCN(C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 774042560 HUHWXBGQHRTVHH-HNNXBMFYSA-N 436.515 0.930 30 10 ICEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 799253083 OEFMGFNLALDTSG-APWZRJJASA-N 425.489 0.742 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 816923380 GOXPDPDKJJDLKA-DAMWEWLOSA-N 438.456 0.605 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C 838648567 LCBMKNVNGNEBCP-OAHLLOKOSA-N 437.525 0.595 30 10 ICEE C=C(C)C[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1132422570 UYQRHAFSJOMBKN-INIZCTEOSA-N 440.518 0.883 30 10 ICEE CN(C)C(=O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1135802100 DDPCIYWUCMLSML-UHFFFAOYSA-N 434.338 0.989 30 10 ICEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1136950727 OKCIHIZTWNBNFO-HNNXBMFYSA-N 440.472 0.098 30 10 ICEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc12 1156669628 FLLXGYDBCCHOLA-SOZUMNATSA-N 435.531 0.458 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCOC2)c1 1286312664 ZLLXMZNTDDKEOK-JTSKRJEESA-N 425.489 0.990 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1286493039 SNPDDSDZTFFCQK-JOCHJYFZSA-N 428.537 0.791 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286792015 KBUHHARPPPJSPE-QGZVFWFLSA-N 435.488 0.842 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1300307913 KEGIWFVGXOMIMK-AEFFLSMTSA-N 444.561 0.918 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300479284 KTOOTEIRSOGSJK-HUUCEWRRSA-N 432.506 0.587 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1300709921 LEHWUSGJAWARQL-HSZRJFAPSA-N 440.548 0.688 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301594405 BLVDEDPQZLBYQJ-GUYCJALGSA-N 444.583 0.838 30 10 ICEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1357656652 GNHODZDIJZSYND-UHFFFAOYSA-N 433.490 0.772 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1359035276 PQFCEWGLIQYFCJ-FQEVSTJZSA-N 429.569 0.091 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCOC2)CC1 1359040439 VDDJVYSDQSSWNM-JOCHJYFZSA-N 446.552 0.314 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1359304438 YAWMVQHKBSBCNL-KRWDZBQOSA-N 437.504 0.993 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456063548 NGHGUJQAKRTCLX-IERDGZPVSA-N 440.504 0.972 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCOC)CC1 1507732782 KWEXKVWSLGNRNC-JOCHJYFZSA-N 446.552 0.267 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 1508123463 IJUDBXBAPZGVRH-BRWVUGGUSA-N 441.554 0.571 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508141122 SUMDJUBVEXTULM-MRXNPFEDSA-N 435.554 0.632 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(=O)(=O)CC 1539171934 PYGZKEQISQGAQJ-UHFFFAOYSA-N 439.567 0.247 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cn[nH]c2)CC1 1539490090 RGSWTSUHCMLYST-OALUTQOASA-N 441.536 0.934 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1554494225 BBHYNXDWZXGRKN-KRWDZBQOSA-N 438.536 0.999 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587638440 DWWXWZQMNQMHKK-KKUMJFAQSA-N 449.499 0.901 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)CC1 1588199390 NMXLUJXKPDCIDX-UHFFFAOYSA-N 440.576 0.248 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1589663739 PXUFVFDTFVMCOI-BEFAXECRSA-N 440.570 0.492 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1595811950 IGRIHTXPHBOHDM-HNNXBMFYSA-N 443.533 0.429 30 10 ICEE C#C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1625165105 FDJYZGXRSBZYSV-RISCZKNCSA-N 431.308 0.093 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)CC1 1632887621 RMGDFXMPGSUMKN-KRWDZBQOSA-N 436.534 0.722 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 1632966697 VUHDAXYLQOHDTG-UHFFFAOYSA-N 446.323 0.692 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1644584432 MYOJEJZLIIDHME-GFCCVEGCSA-N 438.278 0.808 30 10 ICEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648707391 LBEDTESPKAGOFZ-HXUWFJFHSA-N 427.486 0.754 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C2=O)cc1 1682226538 LOUQXFGEIDEVBK-CQSZACIVSA-N 432.424 0.935 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1689912836 BNQFAODWKONVHV-HNNXBMFYSA-N 448.553 0.427 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992606 MSZMFPWQBALVCI-INIZCTEOSA-N 433.509 0.723 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1690743911 HLMKDYALANJDIU-CQSZACIVSA-N 443.595 0.570 30 10 ICEE CC(C)(C)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691111018 XDMQRXWPACZYAC-BQASMSSTSA-N 429.525 0.623 30 10 ICEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1692819974 IBXFLLDBVJKVMC-XJKSGUPXSA-N 438.485 0.835 30 10 ICEE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1698440003 HZODSAFDPARYPE-YESIBHTGSA-N 443.508 0.248 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705909307 SOWUWYITMXEXTA-DOTOQJQBSA-N 437.508 0.809 30 10 ICEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1711294842 HQCRWAWQZXVANP-CYBMUJFWSA-N 431.522 0.771 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1722294199 GVCGXHVYUNAJPV-KBXCAEBGSA-N 449.533 0.831 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722322094 NZWDONKEOAUIJR-UHFFFAOYSA-N 436.520 0.739 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1722369690 DRNBXRYNSHSSCK-KSZLIROESA-N 448.549 0.595 30 10 ICEE Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726378098 QUMVWLXKBCQNAA-GASGDFKYSA-N 441.414 0.618 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)CC1 1740706653 YXPZUQZROQRAPE-ZWKOTPCHSA-N 444.536 0.391 30 10 ICEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740899183 HWLJSZQAKBRUNJ-HXUWFJFHSA-N 447.565 0.624 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740963407 JVXAVEOMKJEQLY-UHFFFAOYSA-N 431.541 0.397 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740989330 JODJIEVJTOMNBD-OAHLLOKOSA-N 446.533 0.768 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1748859358 SHIYUMGOXPFZRT-IBGZPJMESA-N 442.545 0.630 30 10 ICEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748922816 MZVKXVJGKTZLKP-FQEVSTJZSA-N 442.501 0.603 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748993843 OJZAELSVJIWOBY-FQEVSTJZSA-N 437.548 0.514 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(O)CCOCC2)C1 1749696993 GRJNLKKHLKAJKC-CVEARBPZSA-N 443.570 0.601 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCCCCO)C1 1750210762 VWWXZJMRTRSLMT-QGZVFWFLSA-N 440.570 0.904 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1760205499 CGFHZMHYNDMICT-ZWKOTPCHSA-N 441.561 0.656 30 10 ICEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1761779210 CIAKLBDSWSFLEB-UGSOOPFHSA-N 437.501 0.386 30 10 ICEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868634398 YHRGTNXILXFSAO-QGZVFWFLSA-N 440.543 0.578 30 10 ICEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)C(=O)NCC#N 1994783672 LFMXTHUWBVOHJL-UHFFFAOYSA-N 427.502 0.941 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142560 WEFUHYXVPNAJDC-CQSZACIVSA-N 449.361 0.990 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267476606 AGBBWVZCCOZLOV-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)CC1(C)OCCO1 2282344636 WOIWWLQVRWSRFL-CYBMUJFWSA-N 429.348 0.787 30 10 ICEE C#CCOCCOCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286032194 ZZAFWCWFZNQRBL-QGZVFWFLSA-N 442.490 0.040 30 10 ICEE COCCC/N=C(/Nc1cccc(C(=O)O)c1)N1CCN(CC(=O)N2CCOCC2)CC1 46021915 NHPROJQWDKCDHG-UHFFFAOYSA-N 447.536 0.666 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cncn2)C1 460931647 LPGXAUUDLWRVCP-HOTGVXAUSA-N 436.542 0.620 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 460933680 QHSCYKLVLHWMSZ-PMPSAXMXSA-N 438.554 0.435 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]3COCC[C@H]32)CC1 464848141 FOJKNQHJYLWECE-RBUKOAKNSA-N 432.546 0.892 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 477846551 IFZXJQXZJRFMFY-UHFFFAOYSA-N 434.562 0.825 30 10 ICEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 504280799 KYBWFUYWTCTXRN-KXBFYZLASA-N 429.539 0.901 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O 505661844 NLVZFWBFBVHQBG-UHFFFAOYSA-N 443.573 0.402 30 10 ICEE N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 511905504 JWDMVCAMTDFCCJ-UHFFFAOYSA-N 433.412 0.361 30 10 ICEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672497 QPKBWTZFFQVFTF-UHFFFAOYSA-N 449.517 0.799 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCN1C1CC1 732706817 QDUYAVODNUQZDA-INIZCTEOSA-N 444.517 0.294 30 10 ICEE COc1ccnc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 742570157 ISIJLMSGLGESPL-AWEZNQCLSA-N 444.517 0.651 30 10 ICEE C#CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)[C@@H]1CCS(=O)(=O)C1 746590523 LBLDNALEQDBYHP-VFNWGFHPSA-N 429.498 0.634 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CC(C)(C)C#N 776143535 HLUXDBMKFZFULR-UHFFFAOYSA-N 429.520 0.625 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2nnc(CO)c2C1 816682942 OENNKTSMRBWPQS-AWEZNQCLSA-N 432.506 0.410 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)s1 1137886126 JXCCKCSXJVMBSF-AWEZNQCLSA-N 429.564 0.851 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1251275486 WGBUFAVUZABFBL-HNSFDTNUSA-N 428.511 0.200 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nn(C)c(C)c3C#N)cc2)CC1 1277346112 GSUVPEZENQYSEO-UHFFFAOYSA-N 430.490 0.705 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286612315 YAEDZNQNLAPGQQ-INIZCTEOSA-N 440.570 0.463 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1300885776 SKRNBWCIROMMNO-GMBSWORKSA-N 432.525 0.681 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)c(=O)nc1O 1305590027 NIIKJUOILFUOEX-UHFFFAOYSA-N 428.348 0.811 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358956412 FPEGTHKNZMMKIT-BRWVUGGUSA-N 426.539 0.808 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359300497 DBFMBEROHQRBSV-INIZCTEOSA-N 442.524 0.600 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359304439 YAWMVQHKBSBCNL-QGZVFWFLSA-N 437.504 0.993 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCCO 1360240145 BWPTXDXHHPNUQQ-INIZCTEOSA-N 441.540 0.956 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539514484 QPGPFCPYMJWYMR-VLIAUNLRSA-N 445.549 0.410 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 1541927673 OHHKXCQILLFOPA-GRDNDAEWSA-N 430.506 0.526 30 10 ICEE N#Cc1c(Br)cccc1OCC(=O)NC1(C(N)=O)CCS(=O)(=O)CC1 1544948970 BIJVCJOMQWMWGJ-UHFFFAOYSA-N 430.280 0.248 30 10 ICEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1589367403 TVUGFBRFYBUPFC-LBPRGKRZSA-N 434.298 0.339 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594784159 SJVGXPLEJVHIGH-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(=O)nc1O 1595640885 CRARHAYOKXXLEX-UHFFFAOYSA-N 435.362 0.824 30 10 ICEE C=CC1(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1626240761 PEIFIKAQWQDGRR-UHFFFAOYSA-N 448.520 0.619 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1Cc2ccccc2OCC1=O 1638350493 FGMOEAZYIIBBIW-MRXNPFEDSA-N 435.488 0.990 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 1645283489 WFYUFXYDQQIKDS-UHFFFAOYSA-N 441.575 0.969 30 10 ICEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1646455106 FDBJNJDGISJJOU-QGZVFWFLSA-N 435.546 0.882 30 10 ICEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1C(=O)OC 1656493513 QWZMEAMBPKAWQD-CEXWTWQISA-N 446.479 0.429 30 10 ICEE N#CCC(=O)N1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1658694102 SFGIGUFYVCYXID-UHFFFAOYSA-N 447.561 0.535 30 10 ICEE CN(OCC(F)(F)F)C(=O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682870760 AAFUKQQHEQLRAA-CQSZACIVSA-N 427.383 0.911 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1685273045 VRIGIAUZCZXXTQ-UHFFFAOYSA-N 431.515 0.586 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689992770 OSTJKUKVSWRUKE-GHTZIAJQSA-N 445.545 0.696 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1690675798 FQDRDFITRXQCSQ-QGZVFWFLSA-N 430.484 0.819 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698492877 GRPXMPPLHJQZFK-HOTGVXAUSA-N 427.440 0.725 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN2CCCS2(=O)=O)c1 1705507006 ORABHLUDQCJGSJ-UHFFFAOYSA-N 430.534 0.932 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1705569881 KVJZBCDSAMQXCF-SFHVURJKSA-N 439.545 0.867 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 1705651886 KGSNGPNUGVDIKW-ZIAGYGMSSA-N 428.584 0.347 30 10 ICEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNS(C)(=O)=O 1705835776 TVLVEDKPYPHAJT-UHFFFAOYSA-N 441.583 0.718 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC(=O)N1C 1726722575 JKMJAOMXOAYFEZ-NYHFZMIOSA-N 437.504 0.874 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1728777716 BERNUAVYQHSVFT-OALUTQOASA-N 439.538 0.220 30 10 ICEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1729748342 ACOGMNPLPDAOGL-MRXNPFEDSA-N 432.506 0.755 30 10 ICEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729768368 MWKJRFZXYVDYDP-DOXHGZAWSA-N 425.449 0.799 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)CCO1 1731187022 VZRCVOQRHNMQHL-JKSUJKDBSA-N 427.465 0.850 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)C2CC2)CC1 1740700945 OINSKJZTQBTKBK-KRWDZBQOSA-N 441.580 0.963 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1740717616 XHDQTFBPNCMSFS-GJZGRUSLSA-N 429.568 0.203 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1748776731 NYTKLZWFWCTLTR-HNNXBMFYSA-N 430.490 0.406 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748812394 VAEAWEYTJGPOCH-OHZJNBGDSA-N 436.563 0.216 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749630347 RHOPZZQJWZZOFW-KBPBESRZSA-N 428.515 0.074 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749659499 FNTKQVOPAFDPEC-AWEZNQCLSA-N 449.533 0.888 30 10 ICEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CCO1 1750388983 UWTBTQUIZKNOGC-ROUUACIJSA-N 431.541 0.366 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1760202389 CABAOFLRLMXACC-KRWDZBQOSA-N 426.502 0.281 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760440795 QMHOFAFSLZWACA-DNVCBOLYSA-N 440.570 0.540 30 10 ICEE CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)C1CN(c2nccnc2C#N)C1 1849768767 QDWCZYMFLGYWNS-QGZVFWFLSA-N 444.492 0.988 30 10 ICEE COC1CCN(CC(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)CC1 1857037718 HHRURZLCKAECSG-HNNXBMFYSA-N 434.518 0.966 30 10 ICEE Cc1csc2ncc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)c(=O)n12 1889413729 RTGQGJUABJGPTF-UHFFFAOYSA-N 443.573 0.936 30 10 ICEE C[C@@H](N)C#CC(=O)Nc1c(I)ncnc1I 1902011255 LDIXVUQUIUEAKI-RXMQYKEDSA-N 441.998 0.975 30 10 ICEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264760 WIXFHMGHHODNHW-QWRGUYRKSA-N 445.251 0.786 30 10 ICEE Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c(=O)n2C 499438837 BGMIAVOXZIFENY-LBPRGKRZSA-N 431.250 0.577 30 10 ICEE C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 531139737 ZBFANLYHNRNBDZ-MJGOQNOKSA-N 433.578 0.806 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544075099 BGSMATVFEZUTSC-UHFFFAOYSA-N 443.554 0.833 30 10 ICEE C=CCn1c(Cc2noc(-c3cc(S(=O)(=O)N(C)C)c[nH]3)n2)nnc1N1CCOCC1 564528157 GILAOSBQNVQDIA-UHFFFAOYSA-N 448.509 0.520 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(CN4CCOCC4)C3)CC2)cc1 590392421 VHJOQTUDJOYEQV-UHFFFAOYSA-N 432.546 0.750 30 10 ICEE N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910272 NZODHNQLIQJAHW-FUHWJXTLSA-N 449.504 0.573 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 747833244 UPPWGNXMRCZCHS-PXHXRNRRSA-N 440.456 0.708 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 763437270 NQGOYDGKXMKMRF-INIZCTEOSA-N 428.558 0.699 30 10 ICEE C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3CCC(N(C)C)CC3)no2)c1 771473391 UEGVSZVBJCFXFF-UHFFFAOYSA-N 431.518 0.743 30 10 ICEE CCN1CCN(C2CN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1156886095 TVOOURVXQSMGHG-IBGZPJMESA-N 447.605 0.988 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CCO1 1211862500 GRPLYSHWLNILAG-STQMWFEESA-N 436.303 0.798 30 10 ICEE COc1cc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1S(C)(=O)=O 1251619787 WABGWTKFBGUEAI-YEWDVWPNSA-N 441.531 0.739 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1286394936 PVPCMSXGCJRBMZ-INIZCTEOSA-N 428.580 0.704 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1286492960 LENULTBNCKTYBJ-HKUYNNGSSA-N 430.553 0.469 30 10 ICEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300403490 KADRQKIRDCPNFT-GOSISDBHSA-N 447.565 0.723 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300491302 GNXQVAVWZMAOLR-HZPDHXFCSA-N 434.566 0.340 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1300497366 YLQDOAVFFPUMLV-SFHVURJKSA-N 447.565 0.737 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1303805015 BGJDOSFTXDFDIF-JKSUJKDBSA-N 440.618 0.653 30 10 ICEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(S(=O)(=O)NC)c1 1359013313 TXTFWRCLOJWRMO-UHFFFAOYSA-N 430.534 0.816 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1359057268 WBHCXONRDPXJHT-OAHLLOKOSA-N 427.596 0.755 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1359104579 CWHGLOVNEWBAMB-SJLPKXTDSA-N 443.556 0.892 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359332186 RFERWVKLWISKHB-UHFFFAOYSA-N 431.584 0.664 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn2ccccc12 1360712852 CRKQYPLXGCULIQ-UKRRQHHQSA-N 430.494 0.313 30 10 ICEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(C#N)c1C 1460104103 CQXSLLZSQOTOFW-UHFFFAOYSA-N 433.581 0.765 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 1471451109 NIJLWZCQMNAXDK-INIZCTEOSA-N 448.314 0.408 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508149392 UBVOEJLVANHBEZ-OAHLLOKOSA-N 434.584 0.819 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C[C@H]1O 1517688219 AEWPQVSAOOLFPL-YEZBQYDXSA-N 441.488 0.717 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539222351 VNNGSSLIFGDFQB-JKSUJKDBSA-N 444.579 0.234 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1539291490 RLHQPBIEIKTQNV-UHFFFAOYSA-N 442.545 0.769 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1540867135 LZDMPXPTCLUSMT-HNNXBMFYSA-N 426.477 0.938 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2=O)cc1Cl 1544634257 SSNYKFLPBXJNAF-VLIAUNLRSA-N 432.864 0.309 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O 1589215459 ALZSVXAIIKDDNV-VQIMIIECSA-N 438.554 0.129 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1610123066 TVEJSHHMDQTBQC-UHFFFAOYSA-N 442.524 0.576 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1643473624 REJUXIBQPACDRB-YDHLFZDLSA-N 427.548 0.976 30 10 ICEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1645273590 DYANYZDDVMLOBY-FUHWJXTLSA-N 435.546 0.442 30 10 ICEE C#Cc1ccc(S(=O)(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1661405393 UFDIXIJABKMEQD-UHFFFAOYSA-N 435.307 0.871 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1676155600 IIJYYXYPQMFWJK-UHFFFAOYSA-N 431.515 0.586 30 10 ICEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1679284823 QKFPCYHZXPBHRZ-DAYGRLMNSA-N 425.532 0.819 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 1687593490 RGUDEBXHYXJTDT-QGZVFWFLSA-N 445.545 0.295 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1690001948 VVVWFRYHIHZHCD-MRXNPFEDSA-N 443.529 0.975 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690257822 VJYFWZAMOACWEI-RBUKOAKNSA-N 428.555 0.882 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1710893616 ODNAHOSEUHUANR-SFHVURJKSA-N 448.549 0.998 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1722432737 CJDWQLIARKINGQ-KNQAVFIVSA-N 433.553 0.881 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)CC1 1722445969 HKGKOHWVXIKFGJ-SFHVURJKSA-N 439.564 0.970 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722619072 YGOGIBLOFNAMDL-CVEARBPZSA-N 441.554 0.967 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1729679124 GUKWAGIDCVBUHR-SJORKVTESA-N 437.504 0.683 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1731010607 AISHUFSMLPUABD-UHFFFAOYSA-N 443.533 0.425 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1740624483 HIEOQVXMGQAHNE-QGZVFWFLSA-N 440.533 0.550 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1740792090 DYKODWROPKJCMC-BBWFWOEESA-N 443.570 0.817 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1740965479 QCAOQSUWXUQPOY-NRFANRHFSA-N 434.541 0.537 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1743313819 MTRCQJJQWSPGDD-GFUWFAGDSA-N 443.508 0.541 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748846472 HDWDVJZTZVNREP-OPYAIIAOSA-N 432.546 0.981 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC)CC1 1749003701 SBRZUBKULFDXBZ-JOCHJYFZSA-N 446.552 0.421 30 10 ICEE CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1749205078 DCSSTTYNMHLGRU-FXSJSZLWSA-N 443.508 0.617 30 10 ICEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760445670 RQNLOVIJVPXVGU-UHFFFAOYSA-N 427.509 0.763 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760515202 QZCFXUAZVFJANK-UHFFFAOYSA-N 429.525 0.265 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1768243204 HJAPFSVQVXBUPT-FQEVSTJZSA-N 428.518 0.968 30 10 ICEE N#C[C@@H]1CC12CCN([C@@H]1CCCCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1=O)CC2 1855394721 YSYKODXSHGYRQI-FUHWJXTLSA-N 434.562 0.944 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1=O 2270531444 QHQZNGDQLGTZBH-HNNXBMFYSA-N 425.463 0.026 30 10 ICEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1CN(CC(=O)NN1CCOCC1)C2=O 35969719 QHSVQMWCLYRJDP-HXUWFJFHSA-N 425.489 0.707 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCCO1 512726233 UYCNILOAZZWUSE-INIZCTEOSA-N 429.546 0.725 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 514406927 NNFCUASXQIDIQO-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 522317808 BQBQKNRINYPNTD-UHFFFAOYSA-N 428.942 0.743 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 537395831 HEOXFEPJGOEHKQ-UHFFFAOYSA-N 430.530 0.686 30 10 ICEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CCN2C1=O 611189652 BJCJLFKZCODEQI-QGZVFWFLSA-N 449.471 0.794 30 10 ICEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OCCN(C)C)c1 739084770 DZTIDPIGRBXYGE-HNENSFHCSA-N 429.477 0.517 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(CNC(=O)CC)c1 751974347 MKHNHPPYWZJQQO-HNNXBMFYSA-N 428.532 0.532 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@H]3CCCO3)c2=O)cn1 772279849 RBNYGBPVMAACBK-MRXNPFEDSA-N 448.508 0.923 30 10 ICEE Cn1cc(/C=C\C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 858004593 FUVROMVEQXWDEJ-HJWRWDBZSA-N 449.385 0.827 30 10 ICEE C#CC[C@@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)C1 1131460832 VLGICTQSDRQYSY-GOSISDBHSA-N 449.511 0.926 30 10 ICEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CCOCC1 1141669072 IFWKWGFLAQLLLS-UHFFFAOYSA-N 433.490 0.812 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1286389333 IAZLIYNENBBXGL-ZIAGYGMSSA-N 447.521 0.044 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)CCOC)CC1 1286492771 INROFQGXGFDOSG-PGRDOPGGSA-N 433.553 0.925 30 10 ICEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1286499165 FKHLCPLJMLHCBP-UHFFFAOYSA-N 448.574 0.498 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1286783047 DZYJCNJHPJFSHJ-UHFFFAOYSA-N 442.520 0.787 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286786676 WQFOMECXZXNRRI-CQSZACIVSA-N 446.581 0.535 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1O 1299412508 OVCZUJPLBIUDMD-JBYIUTFZSA-N 440.504 0.244 30 10 ICEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1299690542 GNLYDKIJINJFLE-BZUAXINKSA-N 442.542 0.011 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1300537917 LMYINEBGLUSZTA-CTWPCTMYSA-N 449.577 0.889 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315816914 HEMBHJPSHZVNQK-CVEARBPZSA-N 444.533 0.726 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCOCC2)CC1 1359046462 SIJAFYHEDBDCCH-UHFFFAOYSA-N 438.532 0.771 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1479499110 IVDACMXCCRWOPC-AWEZNQCLSA-N 449.508 0.695 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1507599995 AERPQWOLFDGYQU-HNNXBMFYSA-N 448.549 0.959 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507662800 OJUPTYOCVFOWNS-HXUWFJFHSA-N 443.485 0.866 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507715613 FDLDNXQIQKLTNF-PMACEKPBSA-N 443.596 0.769 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1508094975 KHECTHPPNCMDFS-UHFFFAOYSA-N 427.513 0.211 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1539415892 HNFXVSWKVYLRPE-KRWDZBQOSA-N 425.555 0.887 30 10 ICEE COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1555398418 OEYOWJSILHQHNZ-ZQIUZPCESA-N 435.506 0.933 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 1557007926 IZLZDIJJSQPUNU-UHFFFAOYSA-N 429.495 0.763 30 10 ICEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558510974 JVACMJUOTVTQMC-MAZHCROVSA-N 433.408 0.015 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)CC1 1562406197 ABZJLPMIUMUBDK-UHFFFAOYSA-N 434.522 0.396 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 1564230790 QSULGKMWTMRZET-QUCCMNQESA-N 433.578 0.834 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588011985 QKTOWFGTFWUMLA-OAHLLOKOSA-N 430.534 0.834 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588055047 RVJWASYHUQVTRQ-QZTJIDSGSA-N 443.529 0.556 30 10 ICEE N#Cc1ccc(OCC(=O)NCC(=O)NCCN2CCOCC2)cc1Br 1614982135 FHWYNHNWQRMZCP-UHFFFAOYSA-N 425.283 0.264 30 10 ICEE COCCC(=O)N1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1630378910 NAHLEKSSHOEHQB-GOSISDBHSA-N 441.488 0.907 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634918993 ROWKACXOVZUNGM-MSOLQXFVSA-N 433.534 0.630 30 10 ICEE CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 1635099066 HFXFVPFBRSREAP-MPHHAOFMSA-N 428.493 0.616 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1640675044 KLTSQWIYIRJASN-KRWDZBQOSA-N 444.517 0.565 30 10 ICEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CCO2)cc1 1641226559 DSJWVZVWHHGCKR-SKQREZPOSA-N 433.486 0.907 30 10 ICEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1642217864 RXLHZMGEOWGFOI-AWEZNQCLSA-N 440.547 0.751 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 1656638479 XEQKRXKGDLNNEL-UHFFFAOYSA-N 446.860 0.528 30 10 ICEE N#CCC(=O)N1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1658693897 PGHWKFAWPMACRK-UHFFFAOYSA-N 433.534 0.858 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689980742 WQCLGZSZJCNJIF-OWCLPIDISA-N 428.580 0.853 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1689987851 DEWIWTDQLXYDFW-HRAATJIYSA-N 442.545 0.754 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1689988435 OZUYYDKLXVSRNA-DOTOQJQBSA-N 435.550 0.277 30 10 ICEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1690827402 DUOGAKUSQHLWDN-UHFFFAOYSA-N 446.533 0.832 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1705598335 HDRAAVPSNZUOBE-QGZVFWFLSA-N 432.506 0.419 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC1CC1 1705668130 FPLHDHDIZHXJME-RDTXWAMCSA-N 443.595 0.705 30 10 ICEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705747138 GQXHVTHRNXSXSK-NEPJUHHUSA-N 425.964 0.654 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1722360805 JVZMNBWTSGICOZ-HNNXBMFYSA-N 445.549 0.524 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1722360989 DAZFOWFUBWEJOM-OAHLLOKOSA-N 441.517 0.757 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)C)n1 1722429720 QPKNDAJIUDAAFQ-QGZVFWFLSA-N 429.525 0.743 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722459131 CSTOHMZLSDWEEV-OAGGEKHMSA-N 437.591 0.509 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC)C1 1722717813 DUNCJSGYHSITKZ-CVEARBPZSA-N 429.543 0.429 30 10 ICEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1729672230 DPAKZECLTFRDBV-UHFFFAOYSA-N 431.522 0.328 30 10 ICEE Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742830340 HXUUJKNHIVVDSW-WUKNDPDISA-N 430.513 0.743 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1748278832 VXDJBUQPAOFJDO-HZPDHXFCSA-N 426.433 0.979 30 10 ICEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1748734394 CPPBSHHMTPSQAU-INIZCTEOSA-N 430.534 0.920 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1748791525 UXPAAOJHZXNNHH-QZTJIDSGSA-N 438.598 0.802 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1748948101 HXHVDUYKCLXBJY-HNNXBMFYSA-N 432.506 0.446 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H]2COCCO2)CC1 1749010589 SWZRJAASPZCLKR-OALUTQOASA-N 431.537 0.943 30 10 ICEE CC(C)C(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1750546715 HCKWCKQCKJYBFC-CQSZACIVSA-N 449.537 0.706 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760099304 DTLWHIJSRBTRSO-FCEWJHQRSA-N 425.555 0.670 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1760548435 GSGXHGCGEOHEIB-UHFFFAOYSA-N 440.526 0.096 30 10 ICEE CN(c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1766971069 BOHWNNMVMFJDBS-DCOQFNDQSA-N 434.522 0.695 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1769308425 QEIOYFXCRMGMHR-UFOSLELVSA-N 431.497 0.271 30 10 ICEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770336727 JHRASPIHXAEXDK-QGZVFWFLSA-N 445.549 0.810 30 10 ICEE C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1851531250 WOPRBWMVOHQBOQ-UHFFFAOYSA-N 435.546 0.887 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3cc(F)ccc3F)C2)CC1=O 1854936815 JEWOMGGAWFBPOH-OAHLLOKOSA-N 426.445 0.453 30 10 ICEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 16729061 HKGPHHYYLRYFIS-UHFFFAOYSA-N 448.526 0.613 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204888936 CFNITPVYFRYGIR-DOTOQJQBSA-N 435.330 0.527 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 477878897 NDMMXSONGXABEW-UHFFFAOYSA-N 434.562 0.825 30 10 ICEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 511338248 QGDFSCBRAZXDHD-UHFFFAOYSA-N 437.522 0.329 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 537301826 MKDBMTDHXRNVOR-CYBMUJFWSA-N 434.478 0.769 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 543361767 UCYSPXHVYFCCNR-KSSFIOAISA-N 427.486 0.932 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 552153238 KKWKVNPYQQQPBV-UHFFFAOYSA-N 425.474 0.457 30 10 ICEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561726870 LKGXLSLXMMUGQN-ROUUACIJSA-N 433.534 0.772 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 590914115 DACBYETZMRKAAN-HOCLYGCPSA-N 428.514 0.138 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 685550893 OPLHVYZKHXKVSP-RDBSUJKOSA-N 435.572 0.055 30 10 ICEE CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn3ccccc23)c1=O 729670236 NKYLICIFOMKOOL-UHFFFAOYSA-N 425.514 0.623 30 10 ICEE CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706804 RNUZVFSZQQANSA-LJQANCHMSA-N 427.505 0.980 30 10 ICEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741439550 UHTUZDGRVGEMQV-UHFFFAOYSA-N 436.490 0.751 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)C1 748408271 KFDSTKZCEZCJDX-GCJKJVERSA-N 427.505 0.798 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC1CCN(C2CC2)CC1 767629409 UJRJHXHJJXGSJH-CQSZACIVSA-N 434.518 0.511 30 10 ICEE CC(CCc1ccc(OC(F)F)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888835 HPIBYKGUEXKBNR-UHFFFAOYSA-N 430.433 0.972 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cn1 772277157 GGPJLBZLJKQQJA-UHFFFAOYSA-N 427.530 0.267 30 10 ICEE CCOC(=O)CON=C(C(=O)N(C)Cc1ncc(Br)cn1)c1cc[nH]n1 1177731187 ISKULXMHHXYIDU-UHFFFAOYSA-N 425.243 0.905 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 1210111504 KPTNINNEVFZYJV-CABCVRRESA-N 425.473 0.573 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1286388120 YMJFQFMZQOCBPG-INIZCTEOSA-N 443.529 0.883 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300491954 KEIIVLNHKJJYGQ-OAHLLOKOSA-N 426.506 0.452 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCS(=O)(=O)C(F)(F)F)C2=O)cc1 1300655974 UTZOCECFYXLEOA-LBPRGKRZSA-N 432.380 0.814 30 10 ICEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H]1OC 1302418224 FJRRUDBITZYWSB-GBESFXJTSA-N 429.477 0.994 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@H](C)CC 1358890967 XWWKWYWDNCAAFO-PASDCYSWSA-N 427.571 0.866 30 10 ICEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1359022746 LTPLWKNQJURBDB-UHFFFAOYSA-N 447.565 0.849 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C1 1359313813 RQAQAXFGLAUXMX-HOTGVXAUSA-N 444.627 0.718 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1359332555 AJVQVGXKKYOXLZ-LSDHHAIUSA-N 446.595 0.785 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@H]1C1CCC1 1451612051 CILXQIMJSNQLRA-HNNXBMFYSA-N 425.532 0.541 30 10 ICEE Cc1c(Br)cccc1C[C@H](CO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1475300225 BAONOVBMSZGQPX-ZFWWWQNUSA-N 432.340 0.967 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1505136508 BEQIIIGNFHFFRI-RDTXWAMCSA-N 439.517 0.124 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507637242 IXMFXDVZDXVASX-QGZVFWFLSA-N 439.582 0.552 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1507703112 QOPLRNSFIPNDHY-KRWDZBQOSA-N 427.509 0.732 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541661859 QRQWLIYVZHOASE-LAYTVVDLSA-N 443.508 0.560 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)CC1 1558073058 KPUTYIQGYSCUPO-UHFFFAOYSA-N 426.445 0.295 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589069347 KDFPUFRTJYCFSE-MRXNPFEDSA-N 434.566 0.322 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595798027 LMLAATAXZWKLRM-UHFFFAOYSA-N 438.598 0.793 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCO1 1596641049 BRAPINNXWIRHEJ-MRXNPFEDSA-N 447.446 0.539 30 10 ICEE COc1cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)N2CCOCC2)C[C@@H](O)[C@H]3O)cc(OC)c1 1616175344 VCKWYDDAGHGCQZ-ZKXLYKBJSA-N 437.518 0.365 30 10 ICEE COCCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1619812996 JYWMAJRRWVMBQI-QAPCUYQASA-N 444.533 0.870 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1 1627380525 BIFSVVIBXYBUOP-ZDUSSCGKSA-N 432.424 0.896 30 10 ICEE COCCN(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1642107666 VRUHRKXFEWZPDM-UHFFFAOYSA-N 426.470 0.291 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1689853099 PEDHJUSRSKMFGW-QLFBSQMISA-N 429.568 0.062 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689977836 FAQXZPCVSJYYNA-IRXDYDNUSA-N 436.582 0.527 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689992834 PKKSZSZBUCGZMH-JKSUJKDBSA-N 428.580 0.538 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccc(C)s1 1705556711 LMIKHUTVUGGLLD-UHFFFAOYSA-N 436.563 0.818 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1705662325 WCMFOBPKCBVQKB-JKSUJKDBSA-N 443.595 0.450 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1705897106 GIFCGHAEQLSWAA-GOEBONIOSA-N 440.570 0.586 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1705903085 PPWMPSURSOSLAG-OAHLLOKOSA-N 441.540 0.454 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1740679807 KHXRSDPIOAQEBW-KKSFZXQISA-N 447.561 0.808 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccsc2)CC1 1740695802 DOUJRLHSOLRJCM-JXFKEZNVSA-N 449.602 0.905 30 10 ICEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740720899 QPTNXAVOQGTHML-UHFFFAOYSA-N 432.594 0.578 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740952246 YHICKQBYTMXHTC-LSDHHAIUSA-N 442.586 0.974 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740959690 CQRBMKZJNKETCE-SJORKVTESA-N 447.565 0.829 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966196 WTXWHKSDLOMTIX-NHCUHLMSSA-N 432.525 0.337 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1748672531 UYFXPNXSORGUCR-QOKNQOGYSA-N 425.555 0.884 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1749009033 FILKECCUDRIDNE-IBGZPJMESA-N 444.580 0.859 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1749210129 CRPJEAGCZCWXPG-HNNXBMFYSA-N 429.481 0.469 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760186128 APZCYEXSLPLRAK-CABCVRRESA-N 448.574 0.923 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760210588 UEUCVVVRIVTQSS-ZWOKBUDYSA-N 435.550 0.689 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1760528691 JZTSMYRSGNWEEW-OAQYLSRUSA-N 434.541 0.537 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2022955710 WFPXRXGPSLYIIG-RRFJBIMHSA-N 426.319 0.878 30 10 ICEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508901326 FHJIMSGMOKXSPS-UHFFFAOYSA-N 448.549 0.839 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 515650651 IMOHAKWOGBZHDL-OAHLLOKOSA-N 439.493 0.599 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC)CC1 558832190 WMPCEEJEOCFFQH-UHFFFAOYSA-N 432.550 0.793 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 590915168 OWUMPJCOKIMPDX-CQSZACIVSA-N 434.543 0.119 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@H]1CCS(=O)(=O)C1 751274603 YLTFDQZAHHLLGX-HNNXBMFYSA-N 442.559 0.988 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360570 JLFDDSNETRSRNM-UHFFFAOYSA-N 445.504 0.091 30 10 ICEE C#CCN(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 807566559 XXOVAPUSCCUCGV-UPJWGTAASA-N 427.552 0.896 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C[C@@H]1CCCO1 917767899 FKEUQPKANDQSEL-KRWDZBQOSA-N 447.520 0.795 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 1138972521 PIVKQPPQTJBBAK-HNNXBMFYSA-N 429.539 0.302 30 10 ICEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1155689222 BMFZNIUPYHNSGX-LJQANCHMSA-N 446.479 0.820 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 1251453704 MCUDBLKNNFSNJO-INIZCTEOSA-N 449.533 0.889 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286399152 ZTWVCFFMGXMUDU-OKZBNKHCSA-N 438.550 0.952 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286774611 YNQUXHJSXKFTBQ-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286788199 RVTKGYXBTLULOH-AEFFLSMTSA-N 445.568 0.611 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1286792915 LHTFTGAYXHIIIG-OAHLLOKOSA-N 428.493 0.835 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1286815955 BLBXKUFSDDPCFZ-KBPBESRZSA-N 449.599 0.493 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1286816228 DDZFKDXWWNFSOO-OLZOCXBDSA-N 437.613 0.431 30 10 ICEE COC(=O)[C@]1(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CCOC1 1301070907 HURNUPYUZNGULX-JTSKRJEESA-N 430.480 1.000 30 10 ICEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302496447 NFQRKYUABLLKMZ-IBGZPJMESA-N 429.506 0.082 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 1303805014 BGJDOSFTXDFDIF-HZPDHXFCSA-N 440.618 0.653 30 10 ICEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1323731475 WFZSWKBNXPJAHF-LJQANCHMSA-N 435.546 0.999 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N1CCOCC1 1358989096 PHYQLOVMFUWSCK-UHFFFAOYSA-N 445.487 0.243 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359034377 NXNLGQCUUZOERI-GOSISDBHSA-N 443.577 0.828 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359062546 KZQXBXRFAAERBP-OXQOHEQNSA-N 434.566 0.788 30 10 ICEE Cn1cc(/C=C\C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(=O)n(C)c1=O 1452960251 ZJOGIZNJCQSEND-FPLPWBNLSA-N 445.483 0.708 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)CC1 1460875646 AKUIJUYVSMHQDK-VQTJNVASSA-N 443.523 0.498 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 1469126676 JHCFXQRNPIMNHH-UHFFFAOYSA-N 436.534 0.937 30 10 ICEE COCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504698653 INCMWMHPRGNYPC-ZJYNUGOYSA-N 443.508 0.618 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1505001024 SMCBSMOXWHOFGF-ROUUACIJSA-N 436.557 0.966 30 10 ICEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1505314828 BVQZWMBBNYTCTA-DOTOQJQBSA-N 428.518 0.953 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507632021 IBYLSNBFSWGWLE-ABSDTBQOSA-N 438.550 0.952 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507835736 KZMVKWVVBRRMEN-HZPDHXFCSA-N 444.492 0.878 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1539750505 QHHFZWGFEGNMKX-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2C(=O)NCC23CCOCC3)CC1 1560176340 WEGMLUGYNLRGHT-AZUAARDMSA-N 429.496 0.419 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1569560547 KIJOGAYEIKNRRW-CWTRNNRKSA-N 429.470 0.441 30 10 ICEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1628651340 SPCGHHWLBVPUNY-HPFMTEOYSA-N 433.530 0.181 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1 1632965844 DVKRVKXXNJSXRU-AWEZNQCLSA-N 434.946 0.634 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1645273589 DYANYZDDVMLOBY-AEFFLSMTSA-N 435.546 0.442 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1650846086 JJZOFORDLFQUQK-UHFFFAOYSA-N 425.470 0.971 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690180630 IIRIIFQBWQZPES-OAHLLOKOSA-N 440.595 0.285 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1690190230 OXLWUKOWJZITOB-WMLDXEAASA-N 443.595 0.705 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690256431 LWQNOGHMUWMSLJ-LSDHHAIUSA-N 448.615 0.572 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1705534960 XCAZPVDZKKGNFG-KRWDZBQOSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1705558914 LSNXESANEKTEAG-MRXNPFEDSA-N 430.534 0.795 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1705768902 CQMAKSGIMPKHMR-DLBZAZTESA-N 437.566 0.832 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1706940247 DGYWIHKANZUSJH-QFIPXVFZSA-N 437.504 0.957 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712877610 QGGOTELARPVXOK-IVFAQJDTSA-N 442.455 0.369 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1722360446 HUGMGIFKSIATJG-CVEARBPZSA-N 443.529 0.859 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1722373038 HTOVSBSYZPQSOY-OAHLLOKOSA-N 441.579 0.319 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1722588352 QWLBQMXEMRVGRD-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722690155 GLSPHUBVPNIWKB-GFCCVEGCSA-N 439.398 0.995 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722700553 MBXBNDKZTDTNAQ-UHFFFAOYSA-N 435.492 0.153 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)C1 1722717988 FSXLWCPPNFMTIX-BRWVUGGUSA-N 441.554 0.429 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1740617711 VUICOYBMWAODNU-JKSUJKDBSA-N 443.595 0.871 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740626309 WPRVEPVAVADNKV-SFHVURJKSA-N 449.577 0.844 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCO[C@H]2CCOC2)CC1 1740705455 HIAKVXHLWBGUKC-MOPGFXCFSA-N 431.537 0.943 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1749353866 CDHVBTYRLMWAFM-UONOGXRCSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749677587 DVZTXMKQZCILCD-KRWDZBQOSA-N 442.524 0.497 30 10 ICEE C#CCN(c1nnc(CC)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1760186529 OEAMDMHZGFSRHP-HNNXBMFYSA-N 431.584 0.139 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1760495353 LVUQDOHNNWOEOB-OAHLLOKOSA-N 426.543 0.314 30 10 ICEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCCCN2CCOCC2)c(C)c1 1853589084 JDBOTNAMASULOP-UHFFFAOYSA-N 436.538 0.926 30 10 ICEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)cc1O 1865729628 RHGBRCPDANQYMT-HNNXBMFYSA-N 440.456 0.390 30 10 ICEE CCCCCCCCCCCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN 1866332276 MWGPFBHYOPCMSR-UHFFFAOYSA-N 428.530 0.538 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628558 JJSRMGLOZKBWJA-KBPBESRZSA-N 436.318 0.809 30 10 ICEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546493 XNGQGPPEEFIYJI-QWRGUYRKSA-N 445.251 0.786 30 10 ICEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 444185230 HOVLIJVZFCGJAN-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE CS(=O)(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 474864497 ONWQZBMGARLBNT-UHFFFAOYSA-N 440.547 0.541 30 10 ICEE COc1cnccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 478491966 QJNQCMUNQCGDAR-HNNXBMFYSA-N 429.502 0.977 30 10 ICEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 505020123 YYRVFZOKJFLBLM-UHFFFAOYSA-N 438.481 0.937 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 508536110 XUQPBEZAZRDRBD-HNNXBMFYSA-N 434.522 0.922 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)C2=O)n(C)n1 589228523 FJEQLPALQBXANV-KRWDZBQOSA-N 434.566 0.865 30 10 ICEE C[C@H](O)CN1CCN(c2cc(N3CCN(C[C@@H](C)O)CC3)cc(C#N)c2[N+](=O)[O-])CC1 610276001 UPWHWFLUIKEQDE-SJORKVTESA-N 432.525 0.472 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CCN1C1CC1 732708542 TVOSDTLEMHHNNN-QZTJIDSGSA-N 446.529 0.777 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 734813326 PPYDNDZWFFBTTH-UGKGYDQZSA-N 426.517 0.498 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)CC1 812090843 SXJAAGTWKZBSDB-QGZVFWFLSA-N 434.541 0.988 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCCO)CC3)CC2)cc1 1149557488 FJUIGDWXRBXKGM-UHFFFAOYSA-N 448.545 0.306 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc[nH]n1 1150366219 GKEMTEXROGXAPY-HKUYNNGSSA-N 443.504 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@@H]2C)CC1 1286493433 AUCAWHJYXABSKD-PKOBYXMFSA-N 430.553 0.816 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1286568176 XWCVGABQYSPRRI-UEXGIBASSA-N 446.552 0.723 30 10 ICEE CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1296457530 GAOWMWWVHZJCLW-KSSFIOAISA-N 444.533 0.868 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300479849 SUGZLWBZDIJXGD-SJORKVTESA-N 435.550 0.567 30 10 ICEE N#C[C@@]12CN(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1308099599 IEUIHPJHCCASER-RXVVDRJESA-N 436.578 0.498 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1358991066 MTZWHHNEJSUUMR-UHFFFAOYSA-N 447.590 0.520 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nnn(C)n2)CC1 1359043076 GHTDEOOBZONSSJ-UHFFFAOYSA-N 435.492 0.491 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359044120 VZUFXHABKQOHHI-INIZCTEOSA-N 438.492 0.227 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359049604 SMKWVKIYFYXJLS-RWMBFGLXSA-N 429.524 0.369 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359326563 CYXHIOCUQHNKGQ-HOTGVXAUSA-N 426.587 0.936 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1360348065 RVKGOWWJYFXNHF-KKSFZXQISA-N 448.524 0.330 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C(F)(F)CO)nn2)cc1 1441668127 STAVEVZCWLLAIG-KGENOOAVSA-N 428.421 0.885 30 10 ICEE CCOC(=O)CON=C(C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1)c1cc[nH]n1 1452086588 WHSRPFFGXCSKPO-SFHVURJKSA-N 439.472 0.926 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)CC1 1470904460 GNGBYHGLVXSCNJ-GOSISDBHSA-N 430.534 0.499 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@H]1O 1503881292 LZWLSCKDKJBXQX-KZNAEPCWSA-N 427.461 0.592 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507728498 ZISVKNPUUUOQGA-VQTJNVASSA-N 427.553 0.946 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCO1 1510219815 RBAMCQXLQDZDCD-XIRDDKMYSA-N 437.570 0.634 30 10 ICEE C#CCSCCn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539520053 NQMFTWOVQVPMRC-UHFFFAOYSA-N 446.581 0.310 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)COCCO2)C1 1540882628 LUXSRJRCCGLITC-IIDMSEBBSA-N 429.543 0.475 30 10 ICEE CC(=O)N(C)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1540928413 YHWFNJFJFVCJKS-CYBMUJFWSA-N 449.537 0.848 30 10 ICEE CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1568817102 LKEAKFFDNDJWRH-LRDDRELGSA-N 431.511 0.961 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1588387071 RKZOYYJFGVKQQQ-HZPDHXFCSA-N 445.536 0.996 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595466778 MZRJJLDYKAATDO-QGZVFWFLSA-N 443.556 0.843 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595467764 YYGYISYKNUVUML-UHFFFAOYSA-N 444.540 0.154 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595551766 USVZJQWHXYWRIK-UHFFFAOYSA-N 431.585 0.913 30 10 ICEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1611054217 IMHMLGCUCYTBRO-CVEARBPZSA-N 442.542 0.155 30 10 ICEE C#CC[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1628850100 ULICGAHJUKKAJX-TZMCWYRMSA-N 435.424 0.118 30 10 ICEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)CC2=O)cc1Cl 1640668118 DQLHJNDZVAARAX-UKRRQHHQSA-N 439.925 0.739 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1705613330 YGDCMPBQHBIYMF-ZDUSSCGKSA-N 439.567 0.533 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1705628334 DDUJJAGYCNPWKR-INIZCTEOSA-N 441.554 0.002 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)(=O)CC1 1705895460 HSZCDBVANOYMEV-UHFFFAOYSA-N 441.517 0.872 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705901242 GCWDYIBHLNYKGM-INIZCTEOSA-N 441.467 0.524 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1722332373 JRAYJWWNUFCQSZ-MSOLQXFVSA-N 436.582 0.699 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722363222 ZJWHVZWGTGWPGW-IXDOHACOSA-N 430.534 0.913 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722367546 WLEYDCCXYSEZOI-UZLBHIALSA-N 438.550 0.472 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC)C2)CC1 1740700465 ALLHXEGFCJSHSI-GOSISDBHSA-N 441.580 0.822 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1749245215 CGZHYHFSJHKAAT-UHFFFAOYSA-N 435.492 0.794 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1749670451 UAPQTIHTKHAVOV-OAGGEKHMSA-N 440.570 0.538 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749671196 ZWBILMICFFCSMB-MRXNPFEDSA-N 444.565 0.619 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1760190907 WHVQSIVNYUTKJA-MRXNPFEDSA-N 443.508 0.812 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1760520092 BYSPVMKXRIFXRN-UHFFFAOYSA-N 427.509 0.621 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1760688476 IOBIFKIHSOSXEL-LPHOPBHVSA-N 440.570 0.950 30 10 ICEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN1CC(O)C1 1870586198 PWGCBXAXOXNECY-UHFFFAOYSA-N 448.501 0.780 30 10 ICEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124524806 WPGIUMCOUYVDML-CYBMUJFWSA-N 447.301 0.450 30 10 ICEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 22849245 ANKCCUQPZUIASW-GOSISDBHSA-N 429.565 0.954 30 10 ICEE O=C(O)COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 254478714 MPHNPFRSJBMIFD-KBPBESRZSA-N 430.479 0.566 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 492416387 DUKDRBJBAXORJW-HNNXBMFYSA-N 426.564 0.348 30 10 ICEE C=CCNc1ncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)s1 549701733 VKOPHJXYNHGAAF-HNNXBMFYSA-N 443.577 1.318 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 555072895 XZSPRZMXAMLRDG-QGZVFWFLSA-N 434.518 0.467 30 10 ICEE CC(C)CN(C(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 603934712 HGFDUOUGQSWITR-MRXNPFEDSA-N 427.548 0.850 30 10 ICEE CC(C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)CC1 733974302 MEHJTIJQESLVEN-UHFFFAOYSA-N 440.591 0.464 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC(c2ccccc2)=N1 821739071 CRWZLCHXWUXNPA-UHFFFAOYSA-N 426.454 0.905 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 917356823 SUDJKTWHFUSJEO-OAHLLOKOSA-N 427.530 0.221 30 10 ICEE C=CCOC[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 1155779375 LBLPBMVTFYZYRS-HTOAHKCRSA-N 432.395 0.832 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CC1 1196065205 SNASKTCXRZEVTO-QHAWAJNXSA-N 437.544 0.796 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1286379742 BRDABGTWJVBQLK-HNAYVOBHSA-N 425.555 0.594 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286389329 IAXABXLXXQZKIL-YVSFHVDLSA-N 437.566 0.917 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1286411066 YKWVOSBRAVUXOV-UWVAXJGDSA-N 435.550 0.235 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)(C)C)CC1 1286487715 XKBOHSNKVDDUQQ-UHFFFAOYSA-N 445.568 0.544 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1286489174 IHDCFHDUBLDCNQ-UHFFFAOYSA-N 430.476 0.354 30 10 ICEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1298584045 HJAYZPPYLWIPKG-HXUWFJFHSA-N 427.526 0.917 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300485608 XLQHMLABZUZRGK-LSDHHAIUSA-N 431.584 0.310 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1300486830 CCXGWFXWHGIOQV-KRWDZBQOSA-N 433.582 0.893 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1300495159 DRTAHYWFVYMMJY-IRXDYDNUSA-N 435.550 0.325 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1300495897 KQGMQYUERXPREC-MSOLQXFVSA-N 445.545 0.639 30 10 ICEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301187499 WLNSJILQDYWPCG-QGZVFWFLSA-N 429.529 0.864 30 10 ICEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1302362162 BVOAGNHLVFCRLS-UHFFFAOYSA-N 437.504 0.515 30 10 ICEE C#CCN(CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)C(=O)OC(C)(C)C 1304470267 CZVWIQALKNIVSB-BIWSTMPVSA-N 427.523 0.184 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1314558097 IXUUSEGCIPGLKU-DLBZAZTESA-N 443.533 0.471 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358955193 GOOKOFASMDKUPS-MRXNPFEDSA-N 448.549 0.891 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cc(CO)nn1 1359064073 KMJWNKFFUCLBDN-RDTXWAMCSA-N 436.542 0.055 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1359329025 WEMUCZUDQYISQD-UHFFFAOYSA-N 437.522 0.742 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1359333375 VXSIOWQXDZWZJR-UHFFFAOYSA-N 440.614 0.726 30 10 ICEE COc1cc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)ccc1C 1464278673 HCRHUGODFQGKFU-UHFFFAOYSA-N 425.445 0.512 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1505001016 SMCBSMOXWHOFGF-MSOLQXFVSA-N 436.557 0.966 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1507540506 ZSDISFDXQBAARH-YOEHRIQHSA-N 447.517 0.846 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1508091467 UQCNICJLVSCLRB-QZTJIDSGSA-N 447.584 0.859 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1508148361 RWXREWURLJIORQ-PMPSAXMXSA-N 441.554 0.270 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1511977350 MQIRJDXBRQQGBO-DEWUXSJSSA-N 429.481 0.323 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539210302 BHLSVXITTVQIGE-GOSISDBHSA-N 440.529 0.970 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1539222338 VNJCICMDWDHGDK-NVXWUHKLSA-N 443.533 0.197 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1539369277 INGYANJDEWTEBK-KRWDZBQOSA-N 435.554 0.469 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CC)CC1 1539477679 VMBFFLWVIMRZCK-ZWKOTPCHSA-N 427.553 0.679 30 10 ICEE CN(CC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554138243 FGNPGQXKRMWFMI-FIKMJJSBSA-N 427.387 0.754 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588050951 YHIXHWDCNWGTQH-GOEBONIOSA-N 443.533 0.277 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC2)CC1 1588891822 UHVBBERQLNHXKF-JTSKRJEESA-N 431.537 0.933 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccco2)CC1 1588930149 OMLQTOMOLOCCGW-KRWDZBQOSA-N 440.504 0.771 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1595788646 FHBGTQRTKHZXDU-RDBSUJKOSA-N 447.583 0.088 30 10 ICEE C#CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCN(C)CC1 1628485741 ZANJQJUFLMGMDG-UHFFFAOYSA-N 448.593 0.272 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC(=O)NC)CC(=O)NC 1644066808 JIFMMIQPFPIEGS-UHFFFAOYSA-N 441.282 0.419 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)=NO2)C1 1648155655 LUNHGWFRGSJOGT-BKTGTZMESA-N 438.506 0.539 30 10 ICEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1648231457 ZJMLMONDOWWPAT-HNNXBMFYSA-N 444.536 0.150 30 10 ICEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1682617329 CEPFOHSYZVTTNB-MSOLQXFVSA-N 429.502 0.750 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689977727 BMDVIJVGJXTIKJ-BZSNNMDCSA-N 449.577 0.813 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCOCC1 1690077630 SRZCVOJOUKSCHJ-INIZCTEOSA-N 441.554 0.002 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1690117327 CZSMJCRJKSSQBI-QFIPXVFZSA-N 427.505 0.869 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1722348097 WQZPVKXBFCYAPU-UHFFFAOYSA-N 427.494 0.026 30 10 ICEE C=CCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722686585 LYUANHXCQLHWQS-UHFFFAOYSA-N 429.510 0.474 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722699088 RGRAMJPLCWCNST-PMPSAXMXSA-N 440.570 0.396 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740623387 SMGVDLDFHHWVFJ-HZPDHXFCSA-N 431.522 0.121 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740624642 JEBHWPODLJSBFC-GHTZIAJQSA-N 445.545 0.696 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C(=O)NC 1740752315 VODZXCFRMUXCRT-QXSJWSMHSA-N 442.586 0.688 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748816455 ZVPQWIFHMLYORF-IRXDYDNUSA-N 449.577 0.941 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749954900 RCRUIWLOEHVHJE-RKVPGOIHSA-N 444.533 0.726 30 10 ICEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1750057242 REUDUGJXTVVUKX-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1760183767 SRNVMWCFOKRUOH-HNNXBMFYSA-N 445.611 0.532 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185565 ZIZGQJJNDYIMRI-UZLBHIALSA-N 433.534 0.716 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760558418 OIORNUCABDKGAO-LJQANCHMSA-N 441.554 0.233 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767920264 MULQPVDGEPNMDW-VHEBQXMUSA-N 445.524 0.646 30 10 ICEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1771056269 PNLWJRLEPHNVCF-UHFFFAOYSA-N 441.536 0.975 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(C)=O 1771304243 SCMXOWFCYQLLBP-UHOSZYNNSA-N 431.541 0.705 30 10 ICEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791672 WZLVUGJJZBFYRY-GFCCVEGCSA-N 445.453 0.810 30 10 ICEE CN(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2247952884 PCLROFSYDLALSM-UHFFFAOYSA-N 444.363 0.865 30 10 ICEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)COC1 2255699160 NIKASCAAUWMDOX-UHFFFAOYSA-N 434.302 0.799 30 10 ICEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255842813 XTPFEGIUPYGOBG-ZDUSSCGKSA-N 438.334 0.677 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC2(C1)OCCO2 2282858057 RFZZYQVBAMRIHA-CYBMUJFWSA-N 427.332 0.683 30 10 ICEE C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H]([C@@H]1C(=O)OC[C@H]1O)S(=O)(=O)O 2297730395 CVWRSNZBRKRAAY-OECGOHCASA-N 432.535 0.909 30 10 ICEE COCCN1C[C@@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)[C@H]2C1 503718225 FFLZBDYBQPZSFO-OALUTQOASA-N 432.546 0.748 30 10 ICEE CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 504198623 BTBZDBLKPHAJDZ-UHFFFAOYSA-N 435.550 0.685 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCOCC 539598200 CMFVJDKVYBIYNZ-UHFFFAOYSA-N 430.530 0.688 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNc2ccc(C#N)cc2)CC3)CC1 617132912 URSAQUORXZIIBM-SFHVURJKSA-N 435.532 0.933 30 10 ICEE C#CCN(C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774162386 IJZOSRRLWLRDRD-LJQANCHMSA-N 432.546 0.921 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 776960564 ICXSHODSSUXUSN-UHFFFAOYSA-N 436.515 0.745 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 1194096728 MFZQQKMSSFFRNK-UHFFFAOYSA-N 429.417 0.618 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286380454 IMQIKYHNHJGAJU-GOSISDBHSA-N 448.593 0.627 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286416051 UQEARVJDOWNZLE-KRWDZBQOSA-N 432.550 0.259 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286416054 UQEARVJDOWNZLE-QGZVFWFLSA-N 432.550 0.259 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286607563 IBXKEPPGTUGTDL-LSDHHAIUSA-N 425.511 0.414 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1300805335 AACVZRKGOUYVNF-QFBILLFUSA-N 433.538 0.569 30 10 ICEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1302470259 NVJAQFRZVARCHJ-KRWDZBQOSA-N 430.490 0.607 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358962358 OKNOMYWQFFRNMB-KRWDZBQOSA-N 435.550 0.421 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1359049851 XDJGNRIEBJZWQI-PBHICJAKSA-N 429.568 0.250 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359333293 SXLYIISDGZKZLX-MDZRGWNJSA-N 426.539 0.767 30 10 ICEE Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1361221311 UZMATBRMQMBWHL-HTXNQAPBSA-N 425.449 0.651 30 10 ICEE C#CC1(O)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1472246697 OULVGVZBMYSQHR-UHFFFAOYSA-N 427.482 0.944 30 10 ICEE CN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)c1ccc(F)cc1 1478531979 JTTKADFUHPPKHJ-SUMWQHHRSA-N 444.510 0.026 30 10 ICEE CO[C@@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504014327 QGPMATDLPQOBIW-RGJVZEKDSA-N 445.524 0.948 30 10 ICEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507590780 GRGBYBFHTIVPGT-GOSISDBHSA-N 444.536 0.093 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508141178 LOTJCBJFCBVEJQ-ZBFHGGJFSA-N 433.538 0.557 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCCO1 1510219212 RBAMCQXLQDZDCD-UAGQMJEPSA-N 437.570 0.634 30 10 ICEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1516961612 BOGWDCIYDYYGFA-UHFFFAOYSA-N 425.493 0.590 30 10 ICEE O=C1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1521472536 USJBEOAIBIZESH-CZIZESTLSA-N 439.451 0.937 30 10 ICEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1539722112 KWFOKVOJQQLLJZ-UHFFFAOYSA-N 449.537 0.600 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540903846 ITRCQSSVENRCAQ-UHFFFAOYSA-N 433.538 0.262 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 1558075176 OQEHDSQIZKMMGF-UHFFFAOYSA-N 436.425 0.145 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 1562225594 GOCNKGSZFFQWFA-UHFFFAOYSA-N 433.393 0.813 30 10 ICEE N#C[C@]12CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 1585655531 UARZBRLJEKRYIQ-SCLBCKFNSA-N 440.499 0.018 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587702343 UANCHSMIICYKPO-MRXNPFEDSA-N 427.509 0.790 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1587808314 PUUXOQMLQQAEKM-DNVCBOLYSA-N 435.554 0.787 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588050952 YHIXHWDCNWGTQH-HOCLYGCPSA-N 443.533 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1595477784 ZPACFIDGUJRPSF-GJZGRUSLSA-N 428.559 0.443 30 10 ICEE CN(c1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1)S(C)(=O)=O 1616972965 KEYRLADRFNBGFH-UHFFFAOYSA-N 436.515 0.437 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1619937297 FYNQYOAEGOCMOP-QFIPXVFZSA-N 425.537 0.652 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2nn(C)c(C(F)(F)F)c2Br)CC1 1626966490 DZBKDKBHZYRFGI-UHFFFAOYSA-N 436.232 0.709 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@@H]43)ccc2c1=O 1629568054 QFZKYVBPXKVOOX-HOTGVXAUSA-N 435.527 0.899 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1631473500 PSGQJOOETCSQPW-HNNXBMFYSA-N 431.559 0.427 30 10 ICEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1640364786 CLVCJMHSTVRAQO-XJKSGUPXSA-N 431.518 0.396 30 10 ICEE NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1645897105 JDVNAQSXTBPGGE-UHFFFAOYSA-N 440.528 0.019 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1690464819 KXQVTUJRKNBNFD-JKSUJKDBSA-N 440.570 0.682 30 10 ICEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690503593 HHDCWQPMAAYCCG-UHFFFAOYSA-N 437.508 0.873 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1705902505 GFKQBDDQEJMMRH-IRXDYDNUSA-N 436.582 0.547 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1706047357 AGDURKZEZBQDKT-SFHVURJKSA-N 425.493 0.636 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740960435 RMCTVGFFUXYDSL-INIZCTEOSA-N 440.504 0.752 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1740991551 YXJAKMPBMFMTKC-KRWDZBQOSA-N 447.565 0.943 30 10 ICEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747534390 ARCDZJDIXVREAD-UHFFFAOYSA-N 432.492 0.807 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1748671992 PAFCPSADERUSHJ-JKSUJKDBSA-N 425.555 0.886 30 10 ICEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749031625 DAQPFRXVZUZQGL-UHFFFAOYSA-N 429.550 0.813 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1749066237 INHPTLGRKYFRLW-GHTZIAJQSA-N 448.593 0.865 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)CC1 1760271297 SRQPFLASDLJDEM-UHFFFAOYSA-N 439.524 0.048 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760525803 RZASSOOEENBDBU-INIZCTEOSA-N 433.538 0.084 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1760528983 SNGNHHWTIONFPV-JOCHJYFZSA-N 448.568 0.927 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2=O)CC1=O 1853897872 XCXVLFDFGBTPCO-HNNXBMFYSA-N 439.921 0.875 30 10 ICEE Cn1nc(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 2255622484 ZYERLQBCZMGHPQ-CLLJXQQHSA-N 433.318 0.709 30 10 ICEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255627981 BBWZCBXMXKVQOW-GFCCVEGCSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255628840 NSENOURFLYBURR-ZDUSSCGKSA-N 436.318 0.763 30 10 ICEE C=C[C@@]1(CO)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286024854 ZZKXIOAOZKXDDA-QFBILLFUSA-N 442.490 0.034 30 10 ICEE C#CCCN1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286043094 UCNRNQDYSMGKRJ-GOSISDBHSA-N 437.518 0.425 30 10 ICEE COc1ccc(NC(=O)CS(=O)(=O)[C@H](C)C(=O)Nc2c(C#N)cnn2C)cc1OC 16893334 WSLSUVARTNVUBQ-LLVKDONJSA-N 435.462 0.689 30 10 ICEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4cccc(O)c4)n3)n2C)n(C)c1=O 20906590 MTRZRGMSWHNTQW-QGMBQPNBSA-N 427.450 0.392 30 10 ICEE CC1(C)OB(c2cnc(OCCC[C@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204888951 CFNITPVYFRYGIR-NVXWUHKLSA-N 435.330 0.527 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2nnnn2CC2CC2)CC1 472861214 VZPAQARESDAPCC-UHFFFAOYSA-N 430.494 0.171 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN([C@H](C(N)=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506636774 QIHIRFRWTBQMJA-CTNGQTDRSA-N 435.532 0.940 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508940460 YIJIRNGAYRSASI-DOMZBBRYSA-N 439.460 0.691 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1(C#N)CCN(C)CC1 558159989 VEWLIJKRRLYOSU-UHFFFAOYSA-N 449.577 0.739 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 563734721 RHZROJCWLRDBEC-MRXNPFEDSA-N 433.538 0.537 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 607418828 CBKCMSXADGDLEH-TZIWHRDSSA-N 429.565 0.905 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 730143704 CSCBDNDWOCLFGC-HNNXBMFYSA-N 439.513 0.580 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1=O 732801894 KPJFNBIFCSUAEM-QGZVFWFLSA-N 429.452 0.378 30 10 ICEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 758182959 UYFSGCFTFHZVQK-IRXDYDNUSA-N 430.571 0.405 30 10 ICEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760913290 PSHLOUKDATWYHV-HSZRJFAPSA-N 447.499 0.964 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)ccc1F 785430957 RMTDSPVGMNXWER-VXGBXAGGSA-N 429.470 0.476 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCN(C)S(C)(=O)=O)C1=O 917700859 JLMMUCAEULWVID-HNNXBMFYSA-N 437.547 0.907 30 10 ICEE Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)s1 917768357 LIKLGLUZGJAWQM-CQSZACIVSA-N 446.554 0.216 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCOC2)n1 1286471122 JAVSBZFDUPWSAL-NQIIRXRSSA-N 430.509 0.764 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286791208 PNINXRFCFFCTCR-UHFFFAOYSA-N 447.584 0.150 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCNS(C)(=O)=O 1298285031 ANVMEBHGRNFAGQ-UHFFFAOYSA-N 445.549 0.848 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C#CCOC)CC2)c([N+](=O)[O-])c1 1299841653 BEYVCTJDAYMODC-UHFFFAOYSA-N 438.506 0.924 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1300308846 DKTOEMPMDRBSMF-OCCSQVGLSA-N 439.567 0.472 30 10 ICEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300336580 KCNQHJNTLLPLCH-MRXNPFEDSA-N 439.524 0.850 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1300491479 HUOGPLVSIBALNT-HUUCEWRRSA-N 425.580 0.998 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1300491481 HUOGPLVSIBALNT-LSDHHAIUSA-N 425.580 0.998 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1315743382 IEEPSPDLYTWYBM-QFIPXVFZSA-N 440.504 0.917 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359337629 XCOHPLIUYOFSDV-SUMWQHHRSA-N 428.584 0.524 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)CCOC1 1360347245 FLQQHAJMVOEIFG-UZLBHIALSA-N 434.497 0.890 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 1466485712 DTHVAXOYESPXEK-UHFFFAOYSA-N 443.476 0.419 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1504887374 BVXGBEBGKXRAIR-AEFFLSMTSA-N 441.540 0.998 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507653007 MJSNEUVKRDRMBD-INIZCTEOSA-N 444.455 0.655 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507718982 IZFVWCCIDLPSNW-JQVVWYNYSA-N 433.553 0.614 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1508139518 BQIRTDDRVZWFMW-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1508149195 PYNOONYGBJSMRJ-HNAYVOBHSA-N 441.554 0.246 30 10 ICEE CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1509200869 CDRZRBSMBBVVCC-UHFFFAOYSA-N 425.493 0.917 30 10 ICEE CS(=O)(=O)c1ccc(OCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1539118079 GTHKAXHRFZVECX-KBXCAEBGSA-N 426.516 0.646 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 1539668552 BHZYKYGJMBFBHY-CABCVRRESA-N 426.543 0.292 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1539731027 WDHSRTNBNYKNOW-AWEZNQCLSA-N 442.542 0.560 30 10 ICEE CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1547708254 LUDRYISOBZVQBJ-QFPXGYFVSA-N 444.540 0.473 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1570741078 BOKRCFDOQUMDET-ORAYPTAESA-N 439.501 0.856 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1587990361 WHVPOHBMJTVLJB-AEFFLSMTSA-N 431.518 0.684 30 10 ICEE COc1ccccc1CC(=O)N1CCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1632207961 GMMVVDVDFGWSQT-UHFFFAOYSA-N 439.472 0.569 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1690113474 KPBYCDBAFDWTMV-QFIPXVFZSA-N 443.552 0.577 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1690724004 GCUGIYRBJFMDBR-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1696412519 UZMVZXYGIKHFDE-MRXNPFEDSA-N 426.543 0.778 30 10 ICEE C#CCCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1705539019 HHXJIJYAVKUECB-KKSFZXQISA-N 442.524 0.876 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1705551440 NKMOBYCVUZOROO-ULQDDVLXSA-N 425.555 0.742 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1705618374 DYYFCKWUIVUMGK-UHFFFAOYSA-N 448.524 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(C)s2)CC1 1705644628 XODPQRJRJCXWAS-UHFFFAOYSA-N 430.538 0.590 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705933486 ISHIQZHQDKWIRU-KRWDZBQOSA-N 444.517 0.369 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362923 XBDRAGRIJZHUOC-MSOLQXFVSA-N 431.566 0.646 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1722413904 SIFBSJAGXJHIJR-INIZCTEOSA-N 426.587 0.658 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)CC1 1722430810 AUEGPNKLYXCEDX-DYESRHJHSA-N 446.577 0.551 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)CC1 1722447194 GJQCEYAYZLYZHX-RKXCMPKHSA-N 446.577 0.496 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCOC2)CC1 1722452307 DGKGIMRHMUVNBB-SPEDKVCISA-N 447.536 0.119 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1740622089 TZCUQUDXWKJBMI-KRWDZBQOSA-N 445.549 0.364 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1740640413 MRGMFURKFXFLSU-JKSUJKDBSA-N 448.574 0.944 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1740717582 WHPMYKPALJQGTF-CQSZACIVSA-N 431.609 0.531 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1748717861 KMRKCVWNSQDTED-MRXNPFEDSA-N 437.566 0.715 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749193270 DOCIBVXCKGQTEV-LSDHHAIUSA-N 431.584 0.522 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749650886 IVCQJXRWNCMVMC-MRXNPFEDSA-N 440.508 0.580 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nnn(C)n2)c1 1760127419 YWCXAZLCXKBAKE-UHFFFAOYSA-N 448.491 0.142 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760545277 REFYZLSKKVNOQZ-CVEARBPZSA-N 433.538 0.798 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1761221510 NXGRYOJOXMPWTE-IBGZPJMESA-N 432.506 0.944 30 10 ICEE C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1770623565 WUSVBOKMFAKPBE-MHOSHAJKSA-N 430.509 0.906 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCOCC(F)F)c1 1770735874 QRIARTHQBQMGRT-HNNXBMFYSA-N 445.430 0.245 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1=O 1872917741 JUZGVAWUVLRYEQ-OAHLLOKOSA-N 434.518 0.546 30 10 ICEE Cn1ncc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267492512 BTWOAWTWTXGTTO-GOSISDBHSA-N 439.369 0.923 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H](O)CO)c(Cl)c2)OC1(C)C 2282510279 WSHICIWHSGZEKQ-SNVBAGLBSA-N 426.127 0.924 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2315516846 CDHJGLOUAURSHC-STQMWFEESA-N 436.318 0.429 30 10 ICEE N#Cc1cccc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)n1 545502829 PDDOVLBTGWNSQA-OALUTQOASA-N 447.561 0.270 30 10 ICEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732696304 BZBHWFRHUOJENJ-QGZVFWFLSA-N 449.533 0.920 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CCN1C1CC1 732706964 SHWZRNOQSXRKLB-GOSISDBHSA-N 425.489 0.825 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 742393326 LTWNOCBOZLBBQL-UHFFFAOYSA-N 425.514 0.917 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 757295495 UXYFIKWPDYQUTE-INIZCTEOSA-N 435.488 0.861 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)N(C)C)CC2)ccc1F 761540155 UNIGZGQMFQVSTL-UHFFFAOYSA-N 426.514 0.526 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 776057306 VDLWAFLCERSTFK-SFTDATJTSA-N 437.544 0.756 30 10 ICEE C#CCN(C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 778642896 VSNCFZGBECGIPZ-CQSZACIVSA-N 428.457 0.894 30 10 ICEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 780205355 LVKJOJQIENIHKQ-SCTDSRPQSA-N 436.486 0.330 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1 811961299 OUKYEMVWVPMYDJ-KRWDZBQOSA-N 426.926 0.919 30 10 ICEE COc1ccc(Cl)cc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 917770059 VADINTXJQOIJSB-UHFFFAOYSA-N 430.917 0.931 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)C1=O 1134097422 INRYSAGGNQXCJP-UHFFFAOYSA-N 432.437 0.944 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1286386607 DTFQCAUVGVAYKE-MRXNPFEDSA-N 441.517 0.872 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286398838 QURGZTUBMHKTPN-TWMKSMIVSA-N 426.539 0.664 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286793093 RIBNZHZXAAKQLD-NPPFBWRTSA-N 448.568 0.389 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 1299743915 NBYHVOUBIGAOFY-UHFFFAOYSA-N 434.518 0.245 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300496445 RKNNMKPDDIIBDO-BSDSXHPESA-N 438.550 0.460 30 10 ICEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C(=O)CC#N)CC1 1307778427 NDDPUFLLEOWDAF-INIZCTEOSA-N 449.533 0.092 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1314671680 SONFPUDGCYOYQC-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1358960571 HHZDUONQBMMCSW-OAHLLOKOSA-N 437.547 0.402 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359300197 WERVJNCHAWSVPD-IRXDYDNUSA-N 442.524 0.250 30 10 ICEE C=CCCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1457738165 JQIMHCMEMHKSSQ-UHFFFAOYSA-N 445.563 0.444 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 1460637458 WBQLWGRCOUHGLV-QZTJIDSGSA-N 425.574 0.838 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1478375874 CMDLAZYGRITXJN-HNNXBMFYSA-N 429.543 0.181 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1505141498 OWTSRAQANKKKRQ-UHFFFAOYSA-N 427.490 0.858 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507731239 DIVCMWYYCGKLBY-HUUCEWRRSA-N 449.499 0.903 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)Cc1ccon1 1507764690 AQDAMNNJMBCMFZ-LJQANCHMSA-N 444.521 0.778 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1507914335 KMVKCMNMZBYYEO-GDBMZVCRSA-N 442.586 0.832 30 10 ICEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1517827613 KOKIADQXLSAZBM-ROUUACIJSA-N 437.504 0.635 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1535454541 QFMXLIJMFTWUCG-CTYIDZIISA-N 433.511 0.846 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(CC)CC 1539180260 YRCNDJPYRDVWDJ-MRXNPFEDSA-N 440.570 0.329 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539215787 JEJJICUXTIYXRO-YJBOKZPZSA-N 431.566 0.788 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@H]21 1540898045 YNUZLZJVDJBVEQ-RRFJBIMHSA-N 431.584 0.868 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555276795 RFUHJTCQVNKSTQ-FMKPAKJESA-N 426.518 0.341 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1622498678 RJLSSNRANREACQ-UHFFFAOYSA-N 447.336 0.095 30 10 ICEE Cn1c(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2n(C)c1=O 1646028974 PSIBTBLBFVSMAN-UHFFFAOYSA-N 430.417 0.926 30 10 ICEE CCS(=O)(=O)c1ccccc1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1649030918 HCPFCPXNHBWLKO-UHFFFAOYSA-N 435.527 0.989 30 10 ICEE C=CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1652734836 HLLXOZIDWJDVSI-INIZCTEOSA-N 429.564 0.058 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 1671857489 HDSFGDBKJBHFSP-GUDVDZBRSA-N 436.534 0.406 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1689987879 DTCFWVWQXJCHHC-UTKZUKDTSA-N 444.561 0.342 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CC1 1690125005 YNJNUZQIDWWUIG-GOSISDBHSA-N 446.533 0.095 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705582969 NULZFECSSDNZND-FCGDIQPGSA-N 449.577 0.887 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC 1705671176 YXDQOPHMTMWIKO-LJQANCHMSA-N 441.521 0.462 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C 1712557774 XQOXHPOTTJNABQ-INIZCTEOSA-N 442.524 0.684 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722338282 GSZWDFPIVPJSOE-UHFFFAOYSA-N 441.580 0.948 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1740685541 IDASUIQJNKKECC-INIZCTEOSA-N 447.565 0.632 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2c[nH]nc2C)CC1 1740705046 BEPHUEMEWVYZPP-GOSISDBHSA-N 438.536 0.859 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CC1 1740705615 JOQSSUHQEHMKRH-INIZCTEOSA-N 443.508 0.037 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@H]1C)C1CC1 1749520101 ZDZGOKAAWNOZFE-QOKNQOGYSA-N 441.554 0.306 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NC)C1 1749731906 NGXROZCTWSNOSM-JKSUJKDBSA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1772566558 GKWXEDGNMWMFPJ-OAHLLOKOSA-N 443.533 0.555 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CC3CCC(F)(F)CC3)C(=O)C2)C1 1856842836 YFPMOSWWRNTRSP-OAHLLOKOSA-N 432.493 0.800 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(=O)O)Cc1ccccc1 2248584136 SWQXYAOAUHMNHJ-UHFFFAOYSA-N 435.311 0.995 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCC2(C1)OCCO2 2282313378 KMLJISYZHFREGV-GFCCVEGCSA-N 428.320 0.078 30 10 ICEE COc1ccc(/C=N/Nc2n[nH]c(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)n2)cc1 105376237 AIKXLMPEUQXCPX-QGMBQPNBSA-N 427.450 0.684 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)n1 479391390 YAVDSYCFMCHIJV-INIZCTEOSA-N 442.541 0.768 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 493864660 PCJLLSMAXPLKMJ-UHFFFAOYSA-N 439.513 0.718 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Cl)c1 503430663 GWRZZBQPVDSDRS-UHFFFAOYSA-N 434.927 0.095 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 685550890 OPLHVYZKHXKVSP-IHRRRGAJSA-N 435.572 0.055 30 10 ICEE C#CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 729334429 OXDUDFAPCQQRAP-ZDUSSCGKSA-N 438.303 0.808 30 10 ICEE CCOC(=O)c1cnc(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)s1 746325158 YGUOKMNIOHISDI-MSUUIHNZSA-N 433.490 0.885 30 10 ICEE C#CCN(CC#C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765726294 APOGRISGHDREFE-UHFFFAOYSA-N 431.514 0.403 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780713564 NEHBTYMQGNLNDG-LLVKDONJSA-N 445.462 0.791 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 801129182 FISGQTXUVATIHK-DOTOQJQBSA-N 437.518 0.556 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 824403795 BIIJMYQGFNHYHY-YZGUTLMUSA-N 444.492 0.296 30 10 ICEE N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)C[C@H]1CS(=O)(=O)C2 1178756705 DHKGVUUMAJOCFI-KXBFYZLASA-N 449.510 0.768 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)cc1 1214687867 UOEOLFUZFCQGEU-MRXNPFEDSA-N 438.506 0.779 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)CC1 1286481911 YSIKRFUMEYCIRF-GCJKJVERSA-N 443.573 0.843 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1286508948 LGFNKDVIELUGDS-CQSZACIVSA-N 427.552 0.435 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CC(OCC)C2)CC1 1300682653 ICIWDYDDYAFTJA-AOCRQIFASA-N 438.598 0.849 30 10 ICEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301607961 VSDXZHYDWHFCJP-LJQANCHMSA-N 438.536 0.999 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)CCOC)CC1 1359037615 QDONHOZWUSENDB-UHFFFAOYSA-N 436.564 0.850 30 10 ICEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359081046 NHDUHOINRULFOK-CYBMUJFWSA-N 432.282 0.396 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1474863549 YUUAKGAMQOICKI-OAHLLOKOSA-N 428.532 0.708 30 10 ICEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1499943070 NBUKQGZTLGLMAK-JTSKRJEESA-N 437.504 0.515 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOC[C@H]2C)CC1 1507739561 RMUMTFRGPTYWQL-UYAOXDASSA-N 444.580 0.859 30 10 ICEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1531710050 MJPCNVBJLSCLFZ-MRUHUIDDSA-N 428.445 0.942 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1539180275 YTZHGBXNUAFBOJ-INIZCTEOSA-N 433.538 0.578 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539226207 VBIZUIBTTNSELK-GOSISDBHSA-N 439.545 0.981 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1540620124 FLDRUQIJIRHJBN-GJZGRUSLSA-N 429.539 0.445 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1540905130 QCGMKHXRDWKNKE-UONOGXRCSA-N 434.609 0.723 30 10 ICEE CCOc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)nn1 1557625346 XHTRHWDDBODNBD-UHFFFAOYSA-N 444.517 0.948 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCN(CC)CC1 1587562997 WCEJIFYRNHVTNT-DLBZAZTESA-N 425.603 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1588806197 JCTFVPSSACMVLE-FZYZMVIOSA-N 440.573 0.911 30 10 ICEE CN1C(=O)[C@H](O)[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cnn(C)c1 1625034980 NXOWYHRHFJEOMG-NCXUSEDFSA-N 436.472 0.094 30 10 ICEE N#C[C@@]12CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1646439789 RQSXBJFIYFRXDM-UWJYYQICSA-N 430.530 0.512 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)CC2)cc1 1683674363 LESSHNGVJFBFRU-KRWDZBQOSA-N 431.518 0.585 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 1684010410 XMQCITMYIMZGJY-RTBURBONSA-N 447.561 0.522 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NCc2ccccc2)CC1 1690110389 KGBBODUXGSZBOZ-UHFFFAOYSA-N 437.548 0.878 30 10 ICEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1695381809 NDJMZSCBUWZAKW-ZACQAIPSSA-N 439.586 0.882 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1696084565 BZLDVSHNUBVBCW-YWZLYKJASA-N 430.465 0.682 30 10 ICEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705822084 SCKMERJDXWOIQN-HNNXBMFYSA-N 427.513 0.899 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1722353309 UYNNFBPTUPRVHB-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1722403028 UDGHJBDTUJTVPU-OAHLLOKOSA-N 428.522 0.977 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOCC2(C)C)CC1 1722441483 RHSUPFCWJVERRT-PMACEKPBSA-N 446.596 0.868 30 10 ICEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722687718 CWNYXQSXBSNNSG-UHFFFAOYSA-N 428.497 0.644 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722731178 GATJTSAWVKJWSN-HNAYVOBHSA-N 441.554 0.198 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccco1 1727230020 HAAZXBKHDTYYRJ-HNNXBMFYSA-N 429.481 0.948 30 10 ICEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1728258247 NSTFNRSCGLMECL-IAGOWNOFSA-N 426.477 0.655 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740627769 SINNYVGMMVWLOI-GOEBONIOSA-N 435.506 0.591 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740946581 BJGVEWJCQPQJJQ-HZPDHXFCSA-N 426.543 0.102 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1741000882 HQRQEAFBRNGSSD-DLBZAZTESA-N 447.609 0.891 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1749732457 WWXQBJWOHIRCOF-HNNXBMFYSA-N 439.538 0.852 30 10 ICEE CC(C)N(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1750075303 CTNPOEOPFGEKAR-IRXDYDNUSA-N 441.602 0.937 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1760220077 WBBLCVNUCVQEPM-OALUTQOASA-N 448.593 0.414 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCC2)C1 1770348235 HYBDSYVNHSJPKN-MRXNPFEDSA-N 438.554 0.656 30 10 ICEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1770474873 DQNLUPMSCIYRJH-MRXNPFEDSA-N 433.582 0.957 30 10 ICEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)CC1=O 1855740880 HCGHMOLERQCUAL-GOSISDBHSA-N 430.530 0.913 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627320 QWUJXFYOXQHVPS-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1CCO 426483561 CXHMVQGKPRTDLZ-MRXNPFEDSA-N 428.493 0.453 30 10 ICEE CCc1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 536976403 WNUOTJUBZQEFQI-UHFFFAOYSA-N 430.490 0.326 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNc2ccccc2C(N)=O)CC1 552546025 MNUONNVAXGXBQD-UHFFFAOYSA-N 427.486 0.602 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 771732085 NMPKVLVBFDGTOD-GFCCVEGCSA-N 431.488 0.301 30 10 ICEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 774288302 MBZAZRDKLQLUIE-OAHLLOKOSA-N 437.570 0.381 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 804005437 YNDVCOVGHAKHRT-UHFFFAOYSA-N 435.484 0.648 30 10 ICEE C[C@H]1[C-](C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@H](C)[C@H]3[C@@H](O)[C@H]2[C@H]1N(C)C 1088725565 MSOCJZQIXBUXFI-BVNCFHDASA-N 443.476 0.051 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 1152972944 GFRPUSYRHKNUBA-UHFFFAOYSA-N 441.307 0.745 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)ccc2c1=O 1184460860 QNFVEUBHLLCBFE-ZIAGYGMSSA-N 431.470 0.905 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286392615 IUKMGDPTJWYTHW-JTDSTZFVSA-N 426.539 0.196 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1286523501 XKRIQOSYUPVPFY-YLJYHZDGSA-N 435.550 0.950 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](COC)OC)CC1 1286645468 CWGJLTGFTXNIGV-JKSUJKDBSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286794160 YIGUWANZIXVJPB-FAJBIJEISA-N 435.525 0.689 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 1298372167 MINXHQRTQTVGGF-RDTXWAMCSA-N 431.518 0.979 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300496714 UHJLYIPZWUJRGX-DZLKFECGSA-N 428.580 0.915 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1300712462 TUKHNYWFKVHVKE-UHFFFAOYSA-N 437.566 0.307 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(OC)CCOC2)CC1 1300729224 RDAJOVCODLMDQH-JOCHJYFZSA-N 444.536 0.172 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1301968172 KJTWCWFAKOOPII-VKJFTORMSA-N 442.542 0.012 30 10 ICEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1302125264 YLPANCMKALSDBE-CVEARBPZSA-N 434.497 0.170 30 10 ICEE CS(=O)(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1303545445 AZTFJPFMVPMPKH-UHFFFAOYSA-N 436.515 0.620 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1316530156 HBDGUPNQHMASOE-AWEZNQCLSA-N 448.409 0.709 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)CC1 1359035020 IRHUUBJRYNBFHL-IBGZPJMESA-N 435.532 0.691 30 10 ICEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359056976 PDWTUNPRJFFTQJ-QGZVFWFLSA-N 448.593 0.712 30 10 ICEE C=CCN(C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1442037594 XTQYIGIHTAXCSH-ZFWWWQNUSA-N 436.939 0.181 30 10 ICEE N#Cc1cnc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 1443489220 FOXYHBKMNQTGHJ-HNNXBMFYSA-N 426.926 0.958 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1460563310 GVDGYGZDQPHNBU-INIZCTEOSA-N 433.452 0.423 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCn1cc(CO)nn1 1507543726 QVEZAMIWZIVSIM-CQSZACIVSA-N 428.522 0.902 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507621744 BWACEQNEQUWRCH-HOTGVXAUSA-N 445.549 0.502 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507636632 BOQRVRZAMDNITO-OWSLCNJRSA-N 439.582 0.579 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507732838 XZGUBZDYBPICCC-IGGDJGDASA-N 425.493 0.064 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1508005039 SMVNSPJNRKCBPW-MRXNPFEDSA-N 428.522 0.945 30 10 ICEE CCN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1515709658 GAIXYLSUHVCRKG-SFHVURJKSA-N 441.533 0.514 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H](C)C2)CC1 1539429735 CCMLJVXJAPHELO-ZWKOTPCHSA-N 437.614 0.375 30 10 ICEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1540297525 YMLYADIPEWMITO-UHFFFAOYSA-N 426.495 0.944 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1540869071 ANRRWBINEKFKRB-AWEZNQCLSA-N 434.460 0.223 30 10 ICEE N#Cc1cn(CCC(=O)NCCNC(=O)c2cccc(Br)c2)c(=O)nc1O 1584381441 YTJYIQADWJWTKT-UHFFFAOYSA-N 434.250 0.519 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1587562015 JXKUNGLYDDHFFE-HZPDHXFCSA-N 447.565 0.626 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1 1593884853 KXUJOHLIQXWZSG-HUUCEWRRSA-N 449.961 0.605 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1594812541 HEYRWWFPXMMKOJ-KRWDZBQOSA-N 447.565 0.890 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1594857491 KBROBBAYBCRKFP-CYBMUJFWSA-N 444.558 0.804 30 10 ICEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1646455105 FDBJNJDGISJJOU-KRWDZBQOSA-N 435.546 0.882 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)CC1 1680300906 QSXZAFIZJYBORF-SFHVURJKSA-N 434.497 0.443 30 10 ICEE CN1CCC(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)(N2CCOCC2)CC1 1683328595 GVVROKQPIOATGB-LJQANCHMSA-N 428.537 0.913 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689978488 WLLQBGSFOVTYAI-IAGOWNOFSA-N 435.550 0.566 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1690074087 QZLKLNJENHJJQV-DKTYTTGXSA-N 430.553 0.959 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1690104454 XCIYYRIJFVGXHS-SFHVURJKSA-N 433.534 0.745 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690124803 UXNBVAJDQFAPQH-IBGZPJMESA-N 438.532 0.976 30 10 ICEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1695381806 NDJMZSCBUWZAKW-GVDBMIGSSA-N 439.586 0.882 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705662198 SIWKRAGPYYNFMH-GOSISDBHSA-N 432.594 0.893 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1705929975 CFZWPCJFSKXEDW-CHWSQXEVSA-N 437.613 0.431 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722729880 ZVKWLELWIDBKCT-SFHVURJKSA-N 448.549 0.206 30 10 ICEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1729227560 MOJJNNOCVUHGPC-CYBMUJFWSA-N 440.476 0.815 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2COCCO2)C1 1740972370 HJZAUFPVFWUFKJ-BZUAXINKSA-N 429.543 0.475 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740995184 CQRSUTFRRFXTIB-QAPCUYQASA-N 444.579 0.745 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1748639858 MXWPDLXHJOSHPP-CABCVRRESA-N 428.522 0.975 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1750060500 HNLZSVYKQWLVAS-HUUCEWRRSA-N 446.537 0.945 30 10 ICEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1760206176 SMJUWXLLWAFYHV-UHFFFAOYSA-N 442.474 0.906 30 10 ICEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1760257730 GTQQFVMPZYNFIK-UHFFFAOYSA-N 441.561 0.741 30 10 ICEE CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1761329248 HPSQUJKZZIKYCW-CABCVRRESA-N 444.583 0.481 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768659681 HHGGXNYACORCSX-PXNSSMCTSA-N 431.518 0.840 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)CC1=O 1856791922 LJSVPYLLPFMIDW-IUODEOHRSA-N 430.429 0.988 30 10 ICEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccccc2S(C)(=O)=O)C1)[C@H]1CCN(C)C1=O 1857277390 SDPPGKGVCKCAAS-RDJZCZTQSA-N 433.530 0.798 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OC)c1OC 1865722414 QOMSMUMTNMFFDR-CYBMUJFWSA-N 428.445 0.098 30 10 ICEE Nc1ncnc2c1nc(N/N=C/c1ccc3ccccc3n1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16043140 AAMFNUBZOVLAEY-QZKBNXADSA-N 436.432 0.014 30 10 ICEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 251269504 NOJZOXJDMCEJQN-UWJYYQICSA-N 446.529 0.083 30 10 ICEE CC(=O)N[C@@H]1[C@H](ON=C2C(=O)N(CCC(C)C)c3ccc(C)cc32)O[C@H](CO)[C@@H](O)[C@@H]1O 254735636 ONWZAILBZBASBJ-GGPUMOOHSA-N 449.504 0.052 30 10 ICEE CC(/C=C/C(=O)C1=C(O)NCC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@]32CO)[C@@H]1C 256446752 UNOPAVUMZBJPHH-DFDSXACSSA-N 433.457 0.485 30 10 ICEE CC1(C)CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCOC2)O1 587647535 IYCMDGMTCDDAAK-QFIPXVFZSA-N 427.505 0.835 30 10 ICEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619712977 GNRCVCLKIDDNEV-KRWDZBQOSA-N 430.552 1.000 30 10 ICEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)ccc21 735764616 CIEURNAERHLLBP-UHFFFAOYSA-N 440.481 0.843 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1cnn(C)c1 776345486 FDWQMDBHPWZHQE-UYTDBDHRSA-N 432.481 0.971 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 914468261 YPEZKXADKDWBCU-UHFFFAOYSA-N 440.541 0.915 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)n1 1256226033 CLGUCGDYZABGGN-GOSISDBHSA-N 426.477 0.682 30 10 ICEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCN(C)C1 1286379084 FYQMIASOESJAJS-DEOSSOPVSA-N 437.592 0.779 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286387889 WBXGVABYHGEALH-UZLBHIALSA-N 435.550 0.698 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1286393900 LNYGWQMFBUMHMK-HNNXBMFYSA-N 444.496 0.207 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1286580643 AWRWIRSPEHATEQ-HBIPHATFSA-N 445.611 0.925 30 10 ICEE CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1287127893 XXMDURLYGXUMTL-SUMWQHHRSA-N 429.522 0.493 30 10 ICEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1301966970 XRJIITSAIBPODG-GJZGRUSLSA-N 429.543 0.538 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CCN1C1CC1 1329604561 YJJCFADVTGBXKK-NXHRZFHOSA-N 434.566 0.926 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1358955814 UNHIURKNXADUDY-AWEZNQCLSA-N 425.580 0.939 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1359057682 GEUXVBSWXJUSJM-CABCVRRESA-N 445.636 0.919 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359326911 MTCFLHNJHFPYRJ-IBGZPJMESA-N 438.554 0.077 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359331195 QBQQNYBOBDMTPK-UHFFFAOYSA-N 449.581 0.521 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 1444165287 HRHRUAJLOLEWNL-QGZVFWFLSA-N 442.559 0.702 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(N4CCOCC4)n3)CC2)cc1 1464034073 MTVHCEAESLRJOK-UHFFFAOYSA-N 442.501 0.332 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCO[C@](C)(C#N)C3)CS(=O)(=O)[C@@H]2C1 1472148968 KXPMBQMZPXBXHT-DEXNDLTESA-N 427.523 0.798 30 10 ICEE CC[C@]1(C)CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1497592408 YPXCNHAQESOGFX-VUANCPLDSA-N 445.524 0.948 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1507832126 OMJWVWYJQLLYRO-MRXNPFEDSA-N 426.543 0.292 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507842931 FPYGTYMZJYNUJD-QZTJIDSGSA-N 445.568 0.565 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1519317102 DDHVOCWWHACJDW-XGXHKWSGSA-N 434.541 0.719 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1540901248 XMINSUAUGZIELO-UHFFFAOYSA-N 448.549 0.672 30 10 ICEE CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1541685476 GXRZIHKFPLJWTG-CQSZACIVSA-N 425.559 0.933 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1588962140 WFSXBAGINUTGAC-UHFFFAOYSA-N 449.515 0.831 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1620484671 GRXMKNDZWUJYJC-MRXNPFEDSA-N 446.447 0.835 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(S)nnc2-c2cccc(C)c2)CC1 1636475372 FGTZXGHLFQVUFQ-UHFFFAOYSA-N 434.547 0.154 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1S(=O)(=O)NCC#N 1636786911 IKWAMZQHBIIEHP-SFHVURJKSA-N 425.532 0.838 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)CC1 1665179202 LHEYHPGSNVJHES-GFCCVEGCSA-N 433.939 0.437 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1 1682390586 FXPISNGFHAQWTJ-UHFFFAOYSA-N 442.925 0.796 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1690019323 FXCJRQULTFTFJJ-GOSISDBHSA-N 432.594 0.279 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1705571376 YNCSZEMVPHWMPK-QGZVFWFLSA-N 433.534 0.936 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705639363 MMUAIKOEXPBEJZ-IBGZPJMESA-N 441.532 0.965 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705830927 YERGIJSQLPHDEJ-KXBFYZLASA-N 425.555 0.735 30 10 ICEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1705904455 PTMMRYJLAOVRLE-UHFFFAOYSA-N 442.549 0.534 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCOCC1 1706861548 HOFCMHORNMWOLD-AWEZNQCLSA-N 426.543 0.560 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1706887739 QOVDRZKNJOQLNG-MUIFIZLQSA-N 437.570 0.490 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1708152216 AOGUIFWYCPMNTD-LMCNMRDDSA-N 429.481 0.323 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1722702479 LHUQCSDROBTRQF-VQIMIIECSA-N 448.568 0.794 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN(CC)S(C)(=O)=O)CC1 1740706597 XLUYHYIQONQQRM-UHFFFAOYSA-N 436.582 0.793 30 10 ICEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769712451 KVABBOXOAFLDFO-OAHLLOKOSA-N 427.513 0.830 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1771112805 YEPJMVHAJXPLPH-CRAIPNDOSA-N 427.527 0.352 30 10 ICEE COCCN(CC(=O)N1CCC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)S(C)(=O)=O 1855007265 BZYLUWWOHCTHCA-HZPDHXFCSA-N 426.539 0.038 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN([C@H](C)C(=O)NC4(C#N)CCC4)CC3)C2=O)n(C)n1 469767495 HKXCIYARZJHMLQ-QZTJIDSGSA-N 427.553 0.793 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 575956968 KWLQVUQDISPLOZ-MRXNPFEDSA-N 440.570 0.492 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCN1CCOCC1 603923653 KCONCJLOMOCCML-UHFFFAOYSA-N 426.542 0.108 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)ccc1F 783075944 RCADYBYMCVGCBA-INIZCTEOSA-N 449.508 0.945 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 799669987 PLOYZJKXFLPDHR-ZDUSSCGKSA-N 435.474 0.075 30 10 ICEE C[C@H](CC(=O)NCC1(CS(C)(=O)=O)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1161925809 DPVXQKPLRNPJDB-CYBMUJFWSA-N 427.548 0.835 30 10 ICEE N#Cc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)cc1 1213440351 IADJGPIYTPOPHR-UHFFFAOYSA-N 434.543 0.989 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1286377497 YHTBDHDKRVEGGB-SFHVURJKSA-N 433.534 0.875 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1286450006 BLEBXRRXMKIFHK-CQSZACIVSA-N 426.543 0.826 30 10 ICEE CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1296457524 GAOWMWWVHZJCLW-KDOFPFPSSA-N 444.533 0.868 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300480220 ZYSBFGDPKPXONS-JXFKEZNVSA-N 439.582 0.984 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1301567614 KNUYYGJLJWCXMA-HZPDHXFCSA-N 426.539 0.851 30 10 ICEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)O1 1303956012 YJCASBURYRXATJ-KSZLIROESA-N 437.518 0.832 30 10 ICEE CCN(C(=O)CN1CCO[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1308113022 AMUHGTBGEJHJGV-NRFANRHFSA-N 426.477 0.547 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358968601 RRZSXIRXXUHPBJ-INIZCTEOSA-N 441.517 0.280 30 10 ICEE Cn1cc(Br)c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1468203203 ZVPBWTJIHSALPU-UHFFFAOYSA-N 426.296 0.928 30 10 ICEE C#C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1468478392 FIFDXVDSKKLMLN-HNNXBMFYSA-N 427.910 0.063 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CC=CCC2)CC1 1507738783 YQBILPULPXQMPZ-SFHVURJKSA-N 425.537 0.457 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1 1529475695 KMLULMIRNKYUCI-QGZVFWFLSA-N 425.532 0.918 30 10 ICEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1611571566 RTHMZAMOXLATPG-ULQDDVLXSA-N 428.445 0.990 30 10 ICEE C=CCN(C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 1625390350 VUHYXQJDWORPJP-JKSUJKDBSA-N 443.566 0.951 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1643372592 SESIPRMYMNBPHZ-LSDHHAIUSA-N 432.518 0.193 30 10 ICEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(=O)OC 1671583146 YFFAINGNURWKEW-BRWVUGGUSA-N 428.445 0.657 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689978350 TYDLJVBFCCKGBN-IAGOWNOFSA-N 436.582 0.383 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1689988061 IIQVJSMNUNWCQU-HUUCEWRRSA-N 448.574 0.864 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689988208 LBMNBGOCKINADW-SFHVURJKSA-N 431.566 0.791 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)COC)CC1 1690145974 BYTZFIJBRKILCL-RDJZCZTQSA-N 437.566 0.429 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1712640033 SYNZXDYTGOOYRI-WFXMLNOXSA-N 449.531 0.608 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1722698575 IDEAMZUDVSHWNI-LBPRGKRZSA-N 436.485 0.005 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1722726956 DDHBSAXBWWCRLQ-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CC(=O)NCC(F)F 1726642484 ICTOIZOBUWFAOR-LBPRGKRZSA-N 431.451 0.914 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740623372 SJKILCQPQGITEB-MRXNPFEDSA-N 438.517 0.703 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1740887953 NFSZMPXSYRQFFG-VQIMIIECSA-N 426.539 0.769 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1748672541 VBKVLXJWAUERDE-KSZLIROESA-N 438.598 0.943 30 10 ICEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC=C 1748785100 YCZASGAGQSQDJJ-UHFFFAOYSA-N 436.563 0.908 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1748785101 YGLGMRIPPHSTTE-UHFFFAOYSA-N 435.488 0.603 30 10 ICEE C=C(Cl)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749284207 HMHXYGGPYUYECF-KUHUBIRLSA-N 438.916 0.218 30 10 ICEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1751284948 MTIOPNPGXLUFFQ-RDJZCZTQSA-N 437.504 0.955 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760514320 AZODHCJEOGUGFQ-MRXNPFEDSA-N 430.513 0.129 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760520883 CJBYXWFXTYCNDV-JKSUJKDBSA-N 427.513 0.581 30 10 ICEE C=CCNC(=O)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528760 LRFCJNSRUKNORG-NRFANRHFSA-N 435.525 0.618 30 10 ICEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400829 YRYRKXWAXKVEIS-GMSGAONNSA-N 425.721 0.813 30 10 ICEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)OC1(C)C 2312856590 CLMXRUHJYVNRLV-IRCOFANPSA-N 433.236 0.850 30 10 ICEE Nc1ncnc2c1nc(N/N=C/c1ccc3ccccc3n1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 8636793 AAMFNUBZOVLAEY-RLQACNGASA-N 436.432 0.014 30 10 ICEE COc1ccc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c(OC)c1OC 409534095 HAWYVEBJOWVXMV-INIZCTEOSA-N 440.522 0.299 30 10 ICEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N(C)Cc3nnnn3C)c2)c1 466686552 OCTHKMOCIPFHHG-UHFFFAOYSA-N 432.440 0.994 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 488860808 XFAWVGOZZVSTJZ-OKILXGFUSA-N 446.526 0.358 30 10 ICEE CN(C)C[C@]1(O)CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 590338344 YEHUPGVTLYSIOU-OAQYLSRUSA-N 434.562 0.874 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 682823001 ZQSCVJRMAIDESR-HXUWFJFHSA-N 433.528 0.828 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 730772631 OJADUDLJJCKOLA-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE CN(C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 732795772 XFXMOYOTRCNDBP-SFHVURJKSA-N 449.536 0.988 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 807922357 BJHNNTWXWJVBQC-UHFFFAOYSA-N 431.518 0.870 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 918756196 LBIBDCKEHDPDJH-HNNXBMFYSA-N 426.516 0.398 30 10 ICEE Cn1nccc1[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1130700035 NPBFLSVONUNKEY-MRXNPFEDSA-N 433.490 0.658 30 10 ICEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)NC1CC1 1178757556 TZOWVFLEUWSDRI-UGSOOPFHSA-N 439.515 0.146 30 10 ICEE C#CCN1CCC(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 1221807984 JGPHFANZFRWGKV-UHFFFAOYSA-N 435.330 0.308 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1286451605 LVPHRVJVFFIXTC-HNNXBMFYSA-N 428.522 0.977 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)C1 1286799883 BILPEWUJGIRMMD-PBHICJAKSA-N 448.549 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286824725 HJOBTHKZMGKSGJ-HZPDHXFCSA-N 438.554 0.771 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)COCCO1 1288117448 SCBFVTBAHOOWRU-NRFANRHFSA-N 441.492 0.757 30 10 ICEE CN(C)CCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCS(=O)(=O)C1 1294414858 QDLNULOABGUJEW-AWEZNQCLSA-N 445.538 0.704 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300494952 AEWIIJRCTPNSPO-HOTGVXAUSA-N 447.565 0.804 30 10 ICEE C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(S(C)(=O)=O)cc1 1313173518 RGLFBPZCLOLRPI-XUWXXGDYSA-N 425.532 0.773 30 10 ICEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1350496769 QMRSMHGFIPLLHI-UHFFFAOYSA-N 439.559 0.849 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c(OC)cc(OC)cc2OC)CC1 1477845840 YNDVFXKBEMCKOZ-UHFFFAOYSA-N 440.522 0.050 30 10 ICEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1503889619 OQIDZQKGYVJMDB-UHFFFAOYSA-N 447.521 0.644 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507626410 AFLRCXJFORVITG-INIZCTEOSA-N 430.534 0.883 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@H]1O 1554545987 QIXAURHTAWGUCK-JBYIUTFZSA-N 441.488 0.982 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1595550305 CGCUJYPNMXXHFX-RHSMWYFYSA-N 426.477 0.760 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1595766790 XNGFIYXZZAIIAZ-UHFFFAOYSA-N 426.587 0.568 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCCCN(C)C)cc2)CC1 1678329311 ZUKMVOGQGDGRSF-UHFFFAOYSA-N 437.566 0.312 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689908037 UUMZWESQBNEXMJ-UHFFFAOYSA-N 441.536 0.199 30 10 ICEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1689965915 GTTAUHWKHLMEOB-IERDGZPVSA-N 434.541 0.723 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnnn1CC1CC1 1690046372 BJKPCSIKRNZHTL-INIZCTEOSA-N 428.522 0.088 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1690047498 SECRJSALTWXDKV-KRWDZBQOSA-N 440.591 0.858 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(C)C 1705495969 YABSYASDUMQQNK-IAGOWNOFSA-N 426.587 0.799 30 10 ICEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1705501765 NUEZEFWYBACWED-MGPUTAFESA-N 434.518 0.873 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1705628325 DAIWJMZFGIZXSP-MRXNPFEDSA-N 426.539 0.198 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705737501 STEVPXSJRBGADE-HNNXBMFYSA-N 439.538 0.852 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705903065 PISOOKXJBSCSRE-CQSZACIVSA-N 432.554 0.825 30 10 ICEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1706958765 CMJPEAWEHMTDNQ-UZLBHIALSA-N 447.517 0.883 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1722345760 RZEIQLQMHUIUOC-AWEZNQCLSA-N 428.522 0.895 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722368624 SETZMJFQSVNLSV-TWOQFEAHSA-N 435.550 0.625 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1722725694 QPSWBLWNQGXVAX-MRXNPFEDSA-N 440.570 0.370 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNC(=O)C1CC1 1723908767 GWFUJPXWOLXCKZ-AWEZNQCLSA-N 445.549 0.923 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740610032 XOBQOHGYJHQNJQ-UHFFFAOYSA-N 435.488 0.544 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1740621952 QUHLHBKJBRIYOW-GJZGRUSLSA-N 437.547 0.335 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)N(C)C 1749055347 IHZADSCNXIXYAP-MOPGFXCFSA-N 425.555 0.814 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749187474 MTKANEDCABICIH-HOTGVXAUSA-N 438.554 0.436 30 10 ICEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1749241280 IAXUKGFZYFTDJU-KRWDZBQOSA-N 437.504 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccn1 1749668745 DOWBJDMIMSXRGV-INIZCTEOSA-N 432.550 0.946 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760154781 INOHPZYDYVFPJF-IAGOWNOFSA-N 438.554 0.129 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1760450066 CKBFAYZGRNSLMF-INIZCTEOSA-N 443.570 0.819 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1)C1CC1 1760477384 YPLVHWKERHWQAD-QFBILLFUSA-N 425.555 0.927 30 10 ICEE COC(=O)N1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767928991 CPBVQJMWBRPAID-INIZCTEOSA-N 431.497 0.721 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1768634157 LWZNNDHKIQAWKT-QGZVFWFLSA-N 446.533 0.798 30 10 ICEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1769660351 CLXJYYWCWMTLOA-RKVPGOIHSA-N 444.533 0.724 30 10 ICEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769727938 IDKWNYBOHPXUHY-GJZGRUSLSA-N 425.497 0.642 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770729061 XDOJBUHEILRUIE-PBHICJAKSA-N 427.502 0.554 30 10 ICEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NCCN(C)C 1772789518 ALMDXTIZAZQAHO-UHFFFAOYSA-N 447.469 0.903 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2315537266 STEBALJAOTUACY-OLZOCXBDSA-N 436.318 0.741 30 10 ICEE CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 480752360 SSIOLFITHAAFFI-UHFFFAOYSA-N 428.536 0.223 30 10 ICEE CC/C=C\[C@H](OC)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@H]2O 575337883 BSXLPZRKEPWAAT-XICBTXQRSA-N 445.468 0.657 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 590914085 VXAKZPIGFZJQRH-YOEHRIQHSA-N 445.516 0.882 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727814014 HZZNUSDOXICZTR-UHFFFAOYSA-N 436.493 0.502 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732705784 HTDUHPSEPWSRRX-GOSISDBHSA-N 445.545 0.998 30 10 ICEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224736 CIELJHQFBJUVFU-OAHLLOKOSA-N 435.506 0.161 30 10 ICEE CCn1nc2c(cc1=O)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 752742983 GZXYYGRCNTYGLX-CYBMUJFWSA-N 429.502 0.665 30 10 ICEE COCCCn1c(S)nc2cc(C(=O)N3CCN(C(=O)CC#N)CC3)ccc2c1=O 807922747 KUCPXWUOJPRSMM-UHFFFAOYSA-N 429.502 0.920 30 10 ICEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)C1CCCC1 1230511205 PRVJSJHRBYDPRJ-KRWDZBQOSA-N 428.555 0.989 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1286409356 KTUGSWGHKXLXPC-HNNXBMFYSA-N 431.543 0.745 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286484426 KGXZYXADPKRUTR-LJQANCHMSA-N 445.593 0.720 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286781606 VJTXYZTXAGKEAN-UHFFFAOYSA-N 435.529 0.633 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1286793121 SLBKOWNEHIHYQA-QRWLVFNGSA-N 430.513 0.702 30 10 ICEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1314645210 XMAVGAMWTGZGSM-UHFFFAOYSA-N 441.536 0.426 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1358994380 LRJXOCBIFZIBIF-ROUUACIJSA-N 433.534 0.419 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359034755 BVMOGWRYPFDESU-KRWDZBQOSA-N 437.566 0.215 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359300696 IORKWAOEEHSZMM-KKUMJFAQSA-N 438.554 0.148 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1470544522 LBWRWQNRCXRQNU-JKSUJKDBSA-N 443.570 0.475 30 10 ICEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1494235831 KKQBKOXNTJZPJH-STXHMFSFSA-N 431.518 0.980 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1539267098 WIGXZIPYMBGEFR-SFHVURJKSA-N 446.533 0.591 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539751499 OKVHPNCWOPXBHS-HNNXBMFYSA-N 448.549 0.429 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CCO1 1554442850 CYORCDGIERFWME-QGZVFWFLSA-N 439.476 0.610 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(I)cc2)C1=O 1586969210 SFDOQMCZFJJCEY-UHFFFAOYSA-N 441.225 0.927 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2COCCO2)n1 1588724224 VSZOMFUFDXHWJS-MJGOQNOKSA-N 430.509 0.680 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cncn2)CC1 1588884667 JFNAXKDLPMAOMB-UHFFFAOYSA-N 441.540 0.454 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1588968835 QXUIEXIJEISTTJ-UHFFFAOYSA-N 440.595 0.399 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1617728508 GTRZWYHHXWCCKO-INIZCTEOSA-N 437.547 0.875 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1629838963 FVIIQNHIPLYUNZ-CQSZACIVSA-N 440.547 0.252 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1632509568 QOJIRLXJWKYKKP-GOSISDBHSA-N 442.541 0.998 30 10 ICEE C#CCN1CCN(C(=O)CS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1643978442 KPTGFHPMYSPIJC-UHFFFAOYSA-N 439.559 0.022 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CNS(C)(=O)=O)n(Cc2ccco2)c1C 1655236931 RTMVHXOPYVYBOH-MRXNPFEDSA-N 449.533 0.806 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(Br)s2)CC1 1656642613 WNSGTLYGQBUMSR-UHFFFAOYSA-N 442.382 0.593 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 1671159776 ZSWXVBGFMBQTSY-UHFFFAOYSA-N 426.545 0.584 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1689945664 HKIRUAFQKSMHED-QAPCUYQASA-N 442.611 0.166 30 10 ICEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1689965944 HKXVEAIBYLROBW-AWEZNQCLSA-N 427.527 0.701 30 10 ICEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1690086976 FXRFECLYPYEENR-YQPJHWBJSA-N 428.493 0.988 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1705525107 YSAUYJGDGPJDCS-HNNXBMFYSA-N 432.554 0.727 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705568232 JOWWRURTOSNGIL-IAGOWNOFSA-N 435.550 0.452 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(=O)NC 1705698686 XHMBYCGGLKCTFK-LZWOXQAQSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705905533 YMPLWFOABFEAQF-IBGZPJMESA-N 436.520 0.976 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)C1 1705929738 WTIXGFLDUCYAIV-ZDUSSCGKSA-N 430.431 0.860 30 10 ICEE CN(CCS(C)(=O)=O)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711236098 QDKCWGMHMBENFO-VLGSPTGOSA-N 436.538 0.943 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C1CC1 1722393145 SWWPPVCWUHXWKH-UHFFFAOYSA-N 429.488 0.910 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1722398104 XNXLBRINYHBZMX-LJQANCHMSA-N 447.605 0.878 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCNS(C)(=O)=O)CC1 1722438779 BQHOJXXGIGBDRL-UHFFFAOYSA-N 446.577 0.572 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1722450196 YSHNPFSZZDWNPE-IEBWSBKVSA-N 442.564 0.917 30 10 ICEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722533965 HABDIAOBKLYWTK-INIZCTEOSA-N 425.493 0.388 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722691326 QBTJMFQFZZTUJT-HXUWFJFHSA-N 440.464 0.259 30 10 ICEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCN(C)C1 1723337394 GDAQPIZLFQKYGC-JTSKRJEESA-N 439.568 0.920 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1726446924 RDAWPCOFYGSVFQ-STGLLQLASA-N 438.492 0.477 30 10 ICEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740716019 SBGKBXUVAWMJOA-HNNXBMFYSA-N 428.522 0.518 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749019624 BGPRBPGFXUEEQN-KRWDZBQOSA-N 429.550 0.982 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC(=O)N1 1749967921 VCBUTHGXDKTPDU-CZUORRHYSA-N 441.492 0.816 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(C)c2)CC1 1760259837 HUIFUGCSLSWBHI-LJQANCHMSA-N 435.532 0.723 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1760261549 NIBOSXNLUSJZSJ-DEXQXJORSA-N 441.623 0.483 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1766723549 TVCCXPFWRXBWLH-HOTGVXAUSA-N 446.489 0.870 30 10 ICEE CCCCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)CCCNS(C)(=O)=O 1860929297 LEPFMWCHIDFPBH-MRXNPFEDSA-N 434.603 0.933 30 10 ICEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)C1 2249530310 IGTOBNPMMIUFRD-UHFFFAOYSA-N 441.525 0.657 30 10 ICEE C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12 4098118 CENDVHAKXFHGQA-ZVKKVVLCSA-N 434.441 0.443 30 10 ICEE in-vitro COc1ccccc1/C=N/Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1 21080199 JGQRTHGRBIFKJE-DJKKODMXSA-N 441.477 0.695 30 10 ICEE C[C@@H]1CC(=O)[C@H](CC(=O)O)[C@@H]1[C@H](C(=O)C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-] 198716128 KEHVWXQDJICDJV-JMJHCNGFSA-N 432.345 0.935 30 10 ICEE O=C(O)C[C@@H]1OCC=C2CN3CC[C@@]45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35 229756383 IVEMPCACOMNRGI-USSWVBBFSA-N 427.413 0.035 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOC)C1 555241202 IGQQUKLIWCWFJK-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586860447 GJRKUYXVWPQJTD-MRXNPFEDSA-N 440.497 0.213 30 10 ICEE CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2)c1=O 589160559 JGUDTDBXSXHAFZ-UHFFFAOYSA-N 431.539 0.331 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@@H](C)c1cccs1 730144871 SVSJGANDTWBOLF-OMVUSHGRSA-N 425.580 0.923 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732705785 HTDUHPSEPWSRRX-SFHVURJKSA-N 445.545 0.998 30 10 ICEE C[C@@H](CC(=O)NCc1ncccc1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 785488636 OMULWXVNOFQODU-LBPRGKRZSA-N 436.515 0.619 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1143354303 AYWIXOQELCALPW-ORAYPTAESA-N 439.501 0.856 30 10 ICEE N#Cc1cn(CCNC(=O)COc2cccc(I)c2)c(=O)nc1O 1167523772 RWGVLIOEARGFEC-UHFFFAOYSA-N 440.197 0.620 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286385994 SDQPUVHPIBNFKC-INIZCTEOSA-N 445.611 0.700 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1286466943 MIOCCLNHYFVARI-INIZCTEOSA-N 438.510 0.042 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1286711779 PMRAXYYVSVOHQK-DLBZAZTESA-N 443.570 0.819 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286774838 KYAYUPBADCLXIM-CABCVRRESA-N 429.568 0.371 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1300538092 NMNCVUVNDNFVOB-SFHVURJKSA-N 428.518 0.436 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CC1 1300780512 RUMJPSYVAJXFEQ-CZUORRHYSA-N 429.568 0.458 30 10 ICEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1302125303 YLPANCMKALSDBE-HOTGVXAUSA-N 434.497 0.170 30 10 ICEE COC(=O)c1cccc2c1OCCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1304224113 UDEOHUZWKROTTR-UHFFFAOYSA-N 429.454 0.933 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1316102003 QNKYIGUQJCKVKT-HZPDHXFCSA-N 427.527 0.352 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1359306238 ZPXSURYFSNMUTJ-KKSFZXQISA-N 429.525 0.960 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1360476080 HYHACZUVIRVFMP-JKSUJKDBSA-N 436.542 0.636 30 10 ICEE O=C1C=COC2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)CC2)C1 1456510638 MRIYWHOUVJBKES-AEFFLSMTSA-N 438.477 0.814 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2c3c(cc(C#N)c2=O)CCC3)CC1 1459279450 AURHEGNIUXDCGO-UHFFFAOYSA-N 445.501 0.347 30 10 ICEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1466344324 HXWUHWUSHWHDGK-SJORKVTESA-N 443.566 0.946 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1504130345 DRQHTKBURKGFKI-RXVVDRJESA-N 428.493 0.758 30 10 ICEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1O 1505270204 LXHWDYAAWWQGOM-APWZRJJASA-N 440.504 0.795 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCOC)CC1 1507903747 ULWGCBKSXKBICG-KRWDZBQOSA-N 443.570 0.676 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508094086 FZEVBEAHMNEAGW-KRWDZBQOSA-N 433.534 0.825 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1515285839 FPIMLZVYNVQTCA-UHFFFAOYSA-N 445.549 0.767 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCc2ccco2)c1 1521082863 PGDBBIDYAJXVEZ-UHFFFAOYSA-N 440.485 0.961 30 10 ICEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1538540008 PGQAPWHPELRAPB-NQYLQCIDSA-N 430.486 0.581 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539132625 PBIORSQJFDZIOH-OAQYLSRUSA-N 427.509 0.628 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1539215846 KDZYTNDOBMVRTI-HNNXBMFYSA-N 442.492 0.977 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540877335 RFEXNYAOSYDMLJ-DOTOQJQBSA-N 442.524 0.829 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589069013 HJCKQHOJTRRJEQ-JKSUJKDBSA-N 427.596 0.914 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1=O 1616492627 SNUJHHYNYFLHHE-ROUUACIJSA-N 426.473 0.465 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1617794036 OZMKDDQJUMRQHS-IBGZPJMESA-N 440.504 0.917 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1632095480 QJSZBZVIARIJGX-HZPDHXFCSA-N 426.539 0.609 30 10 ICEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOC[C@H]1CC(N)=O)CCCC2 1654760753 GKITZGZIERMQGA-HZPDHXFCSA-N 429.521 0.932 30 10 ICEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1687410153 KGYKSLLWWQGRRL-KOMQPUFPSA-N 426.520 0.150 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1689991194 XYJJRDVYFGTHJB-CVEARBPZSA-N 433.538 0.806 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1690723043 FYRARPOKHSJEJS-CQSZACIVSA-N 440.526 0.109 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC 1705481484 HGWWOKYVTJAZRL-ZDUSSCGKSA-N 425.536 0.356 30 10 ICEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)(=O)CC1 1705531246 CYZNVVKAHMBPQP-UHFFFAOYSA-N 436.563 0.886 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565122 GCBZFSPQVRBPMV-IRXDYDNUSA-N 436.582 0.586 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705597060 VKJININFWALESX-RTBURBONSA-N 439.564 0.635 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(=O)NC 1705698687 XHMBYCGGLKCTFK-YCPHGPKFSA-N 428.559 0.442 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1705901395 KGXIAPIROJOKKN-CYBMUJFWSA-N 429.481 0.365 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1705937112 JAXPGKLIELUIND-UHFFFAOYSA-N 439.582 0.907 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362986 XZXOHGRPOYWVMD-GOSISDBHSA-N 447.565 0.028 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722370042 FTODVJCEJGQNCC-GOSISDBHSA-N 427.553 0.432 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CC2)CC1 1722441463 QOSBDHJLSXQKLB-SSEXGKCCSA-N 434.566 0.293 30 10 ICEE C=CCSCCn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722742242 MXJCVCCXPMYQEZ-UHFFFAOYSA-N 446.581 0.616 30 10 ICEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740807036 MVKJVHJWELTLPG-AWEZNQCLSA-N 446.895 0.862 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748812395 VAEAWEYTJGPOCH-WQIZZMQYSA-N 436.563 0.216 30 10 ICEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748825490 ZUAUVIVESODYMD-HNNXBMFYSA-N 449.508 0.711 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@H]21 1749037804 JQINLVYVJDCGGS-JYJNAYRXSA-N 425.580 0.966 30 10 ICEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1749154167 NUTSZGLSPMDXHU-IBGZPJMESA-N 437.522 0.958 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760188159 IWBHNJIJICENSR-QGZVFWFLSA-N 441.517 0.757 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760205713 IBLOGGONEYGBKR-OTWHNJEPSA-N 433.578 0.752 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1760232716 CLYSBWSUWDMBQO-RBUKOAKNSA-N 436.626 0.913 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2Cc3ccccc3O2)CC1 1760254340 VDFMGAAYAREXSB-WMZOPIPTSA-N 444.561 0.647 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760356031 DIEIHMLYBRANNH-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CCSCCCO)C2 1770736170 UWXPPOWHWZYLPG-MRXNPFEDSA-N 443.533 0.880 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2=O)CC1=O 1854710764 VGURYCCUEVWACZ-HUUCEWRRSA-N 435.502 0.478 30 10 ICEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)Cc2cccnc2Cl)C1=O 1857144847 XTDDVDNRUMEOLC-MRXNPFEDSA-N 425.880 0.887 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccn(CC(F)F)c3=O)CC2)CC1 1889326221 JYBOBPIYRQDMRM-UHFFFAOYSA-N 436.503 0.985 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247840672 QUJSMCGWQUKXTB-NIFZNCRKSA-N 426.319 0.926 30 10 ICEE C=CC[C@@]1(CO)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2272087352 WTPJOEKPXZIURM-QFBILLFUSA-N 426.491 0.956 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 465130317 OQJHWOSPKWJXSZ-OAHLLOKOSA-N 425.493 0.982 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 513704573 DPXCUHGZPCLJES-KRWDZBQOSA-N 435.550 0.079 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 549911325 VRIKFRBBTJRGOA-WOJBJXKFSA-N 434.562 0.974 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 751021410 RRIGHMJPWNTICM-JTQLQIEISA-N 435.501 0.132 30 10 ICEE C=CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 755111398 VEKFMLIVMOXBSD-GJZGRUSLSA-N 429.539 0.704 30 10 ICEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 771552401 HBNIQUSCMOBHDV-HNNXBMFYSA-N 443.489 0.782 30 10 ICEE COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781653079 FUVYWPLMRAXCPF-UHFFFAOYSA-N 442.541 0.702 30 10 ICEE CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 785647048 YNTJHYDNTSQREQ-UHFFFAOYSA-N 430.486 0.549 30 10 ICEE C#CCN(C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 802529137 RFUOIBBJKVUIGA-HZPDHXFCSA-N 427.548 0.575 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 803848667 URWINQPMGUQPML-IBGZPJMESA-N 436.424 0.621 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1286386531 CEPNVYDZBBUJCB-QGZVFWFLSA-N 426.506 0.649 30 10 ICEE C#CCSCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1286511956 GLASHBKPSMPTNZ-HXUWFJFHSA-N 437.566 0.592 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286607566 ICJQYFYPGRMXMA-RDJZCZTQSA-N 425.555 0.830 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1300487197 HYJPKLKDMZGILU-OAHLLOKOSA-N 426.506 0.627 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1300487723 MASUCLKNKARPRV-HNNXBMFYSA-N 437.547 0.501 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2COCCO2)n1 1359028360 PIRFTLGOVOLEFD-ZWKOTPCHSA-N 443.508 0.127 30 10 ICEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359228752 NGHUPNVFINAGOJ-KRWDZBQOSA-N 425.493 0.004 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359300610 GPTYIJNDGYOOKH-KRWDZBQOSA-N 433.557 0.075 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359322934 FCOFTNZXHMXALY-XLIONFOSSA-N 433.534 0.595 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507627666 FPKQXLZYRQKLRC-MRXNPFEDSA-N 430.534 0.739 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508166544 AVRWBYURSVHPAE-HNNXBMFYSA-N 447.565 0.792 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1O 1517688213 AEWPQVSAOOLFPL-VVGBGTGLSA-N 441.488 0.717 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1519600297 WFAWDVYZVUWHTF-RHSMWYFYSA-N 448.505 0.459 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1539222343 VNJCICMDWDHGDK-WBVHZDCISA-N 443.533 0.197 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540900802 ITNFTTBXPFBVLB-OAHLLOKOSA-N 433.538 0.440 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1541925481 DEFGTDPVVOPGCP-CVEARBPZSA-N 439.586 0.739 30 10 ICEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OC 1544351837 LKURKNLJYYZZHP-SFHVURJKSA-N 437.518 0.777 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588034773 LTMDBPBKXKTZDB-OXJNMPFZSA-N 438.550 0.593 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053398 DXWIPPYXKGXJSH-IAGOWNOFSA-N 434.566 0.342 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588069508 PLTLSCMALLBLCG-QGZVFWFLSA-N 449.577 0.986 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC=C 1588233822 RRUWKNDAASXKHS-QGZVFWFLSA-N 437.591 0.993 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 1588811339 GWIGCLTVGUWCFG-SFHVURJKSA-N 429.546 0.992 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1 1595466354 HXNQLAJZTDCMOJ-UHFFFAOYSA-N 426.525 0.929 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1595501611 ZNBDDXDLJXNWLA-OAHLLOKOSA-N 436.538 0.914 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595545380 WWXUJDLVGOLOIA-GOSISDBHSA-N 445.568 0.219 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)s1 1629542976 HDAZIUJCQLIDPA-ZDUSSCGKSA-N 426.520 0.250 30 10 ICEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1631627488 DBCYWFXTFSDDRP-CQSZACIVSA-N 437.440 0.904 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(NCCN4CCOCC4)c(F)c3)C[C@H]1CS(=O)(=O)C2 1648155956 SVRVDYHPARKLTP-OXJNMPFZSA-N 436.509 0.580 30 10 ICEE COc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c(Br)c1 1670465444 GGQQLBFJIXURES-UHFFFAOYSA-N 429.252 0.570 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689982357 LHQQROGIJFHPRU-QFBILLFUSA-N 426.539 0.593 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1697705669 CPNSJBRJGQMUSO-OAQYLSRUSA-N 442.545 0.980 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1705904175 HNUVTBWKNKVLQJ-CVEARBPZSA-N 440.570 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1705904176 HNUVTBWKNKVLQJ-HOTGVXAUSA-N 440.570 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1705936793 YMAHSUKPWBQTQR-CQSZACIVSA-N 425.511 0.462 30 10 ICEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCN2C1=O 1710172893 IMEAKZJDPDAXNE-INIZCTEOSA-N 436.476 0.378 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722369440 ZFEZPVBOUMVUDU-KURKYZTESA-N 438.550 0.952 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1722523335 OAWBUVFVNNQIRE-INIZCTEOSA-N 434.522 0.850 30 10 ICEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747346041 QMPRGYCDLFHCCT-FQEVSTJZSA-N 449.533 0.751 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1748790920 ONLQWJHJTPVYRA-RDTXWAMCSA-N 439.563 0.650 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1748805754 VQVCMAOMQTUJJI-UHHPSXQGSA-N 446.533 0.555 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748820457 BYQGNXBJERPSDS-QGZVFWFLSA-N 447.565 0.291 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC)CC1 1748979303 XQTIFLYBLDXPMU-UHFFFAOYSA-N 434.342 0.937 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccn2)CC1 1749740706 IEQCLLQAFZHFTC-MRXNPFEDSA-N 433.538 0.847 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1750155364 ZJYZHMIPIPMNCM-XHSDSOJGSA-N 441.554 0.944 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1760187384 JJNWCJQPZRWAQT-CABCVRRESA-N 434.522 0.161 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760524819 KGTNAGBAYMLNDX-UHFFFAOYSA-N 443.527 0.568 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1761292248 XASMCBHWDVYOMV-DENIHFKCSA-N 448.568 0.894 30 10 ICEE CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768591101 ABEWRXLHQSSCBX-RMYFCYLKSA-N 445.524 0.659 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3c(F)cccc3Cl)C(=O)C2)C1 1856850461 OALPRFGEZAMOAG-LBPRGKRZSA-N 428.873 0.691 30 10 ICEE C#CCn1ncc(NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234024292 DYVVMUJDMGKWEY-MBNYWOFBSA-N 443.298 0.392 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957550 ANWMCRSCPHQHOA-JYJNAYRXSA-N 438.330 0.859 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2sccc2I)CC1 2364098195 NKIZLBKSKLDNAA-UHFFFAOYSA-N 425.317 0.938 30 10 ICEE C=CCOC(=O)C1=C(C)OC(=O)[C@@]12C(C(=O)OC)=C(N)N(CC(=O)OC)c1ccccc12 20569096 YXRJZGWFLVTFKN-JOCHJYFZSA-N 442.424 0.821 30 10 ICEE Cn1c(=O)c2c(nc(N/N=C/c3ccncc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 109744282 HHKLPFPOPZXZSC-UPVZUOOXSA-N 449.471 0.715 30 10 ICEE COc1ccc(CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(OC)c1OC 510626951 BXNZYOIAOVIJOT-UHFFFAOYSA-N 429.481 0.703 30 10 ICEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@H]1CCS(=O)(=O)C1 729332778 XKBDFOJUTTWLON-HOTGVXAUSA-N 443.547 0.341 30 10 ICEE CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N(C)C 732707740 FKZUUNWIABETFQ-MRXNPFEDSA-N 449.533 0.473 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 751734258 QUPQEAXFNMLTJE-UHFFFAOYSA-N 434.449 0.726 30 10 ICEE CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C1=NS(=O)(=O)c2ccccc21 760410266 ZXGKGINVYZEYGC-UHFFFAOYSA-N 438.531 0.987 30 10 ICEE COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771581869 GBHRSRDEIQVGFA-SZNDQCEHSA-N 430.461 0.632 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCS(C)(=O)=O 812178789 FUZLEMCOFYKDTA-CQSZACIVSA-N 435.572 0.058 30 10 ICEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(NS(C)(=O)=O)c1 917129359 FOQIBPALVGNBBG-LBPRGKRZSA-N 436.515 0.974 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286407877 UNOWZJQFVNARNB-IBGZPJMESA-N 434.500 0.817 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1286783846 NOXMTXRORBPUER-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1290985867 LRMJXKQGJKJOKI-QGZVFWFLSA-N 441.536 0.974 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300600933 CCRQHHXDRPRMTC-ZACQAIPSSA-N 426.587 0.847 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1300724704 CEIRXOZGZSNQGM-QGZVFWFLSA-N 430.553 0.910 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1301497046 MKGAMXLIEQFGBO-MRXNPFEDSA-N 441.540 0.074 30 10 ICEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1337696318 XKMJWEMRGFNKBH-WBVHZDCISA-N 430.548 0.572 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1358964056 SFGVARMLOQGJSB-CVEARBPZSA-N 437.522 0.251 30 10 ICEE CC(C)Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1359776514 MKKJTDJFAKULME-DNZUHHBVSA-N 438.554 0.872 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CCO2 1471325477 FURWUOABVLOATH-TZQQIIETSA-N 430.509 0.933 30 10 ICEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cnn(C)c1 1472036006 QNYWTZZVEWDUOA-KHYOSLBOSA-N 437.522 0.725 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1504912742 ATVOZPKPEMXDAB-UHFFFAOYSA-N 433.463 0.966 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507751146 KPLASNWQXZTTMB-BRWVUGGUSA-N 440.591 0.931 30 10 ICEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1517064384 COHPOFDTWKZUNC-HLAUDOPJSA-N 429.481 0.152 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539216478 SNVROGPPVPNWLU-IRXDYDNUSA-N 445.549 0.083 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539219000 AZSCXLYFYJBPJM-IRXDYDNUSA-N 438.550 0.688 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1539496185 DPYDGIZVIHBEDA-CQSZACIVSA-N 442.611 0.607 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1540200677 GZHASFNFAUIULJ-INIZCTEOSA-N 440.526 0.595 30 10 ICEE CNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554439286 SYCCCTOXWBGHAT-CZIZESTLSA-N 427.509 0.719 30 10 ICEE CC#CC[C@@H](CO)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1557362092 GKFDDOLMBWQVQD-HNNXBMFYSA-N 435.502 0.660 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1588384983 DQPWGURPVHIDLQ-ZWKOTPCHSA-N 438.598 0.945 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(=O)nc1O 1595693714 HULNDFLFIANOMH-UHFFFAOYSA-N 447.398 0.797 30 10 ICEE N#Cc1cn(CCC(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(=O)nc1O 1596763823 GUHMDQTXLQKXNC-UHFFFAOYSA-N 431.836 0.975 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1620177782 NRSCAJIXHPOYTF-GFCCVEGCSA-N 426.449 0.425 30 10 ICEE COCCn1cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 1632528010 HZKZLCPTAVDONQ-INMHGKMJSA-N 446.508 0.758 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 1636479847 HEIBQVLUKWMKCG-AWEZNQCLSA-N 442.335 0.927 30 10 ICEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CN(c4ccc(Cl)cc4)CCO3)C2)c(=O)nc1O 1636959775 XAQWWYXWYWQAIV-KRWDZBQOSA-N 444.879 0.946 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1638202137 DTDNHRGNUABQLH-CXAGYDPISA-N 425.532 0.651 30 10 ICEE N#Cc1cn(CCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(=O)nc1O 1648059303 BCVWZSHKECOFKW-NHYWBVRUSA-N 434.396 0.179 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)c1 1648715969 NWFJORLNURDJIB-ROUUACIJSA-N 431.470 0.388 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689929667 BLWNAAURUAABEL-SFHVURJKSA-N 449.577 0.669 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1 1689930149 LLGWTQCZDKMNQR-IAGOWNOFSA-N 441.554 0.266 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690142543 PYNYUWZGRFVVBF-MRXNPFEDSA-N 442.545 0.741 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1690865994 FRPYQQSLUDPPIX-OAQYLSRUSA-N 430.557 0.710 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705474624 DGBOHRFZOMFGSI-ZWKOTPCHSA-N 429.569 0.915 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705560639 MFUWZLRRYJFQHD-CVEARBPZSA-N 426.539 0.544 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1705623527 VMWGCUPJLGFNID-UHFFFAOYSA-N 448.505 0.975 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1705901293 HXAHGACJOWYACY-INIZCTEOSA-N 429.550 0.915 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)CC1 1722438302 VJEPJHFQUCARRS-KRWDZBQOSA-N 436.582 0.556 30 10 ICEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748770744 DNLGDZUSZDVOIZ-RURFIKTLSA-N 428.493 0.915 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)COC(=O)N2 1749193280 FEFYRVVCIWXRTI-CQSZACIVSA-N 440.526 0.266 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1749664498 PAKNKMFHPUFEGK-UHFFFAOYSA-N 448.549 0.728 30 10 ICEE CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749888091 CBSQVTHHZQQOFC-NRFANRHFSA-N 426.500 0.870 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@@H]1C 1751208167 DGTHRPKQLCGYKY-GJZGRUSLSA-N 425.559 0.349 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760356371 LXBIRUWKONBBPJ-HZPDHXFCSA-N 440.570 0.588 30 10 ICEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1767316713 JTJHFMPSQJGDOS-HXUWFJFHSA-N 433.534 0.965 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1767483032 MPZUNPSSDCCAGG-DYESRHJHSA-N 432.525 0.965 30 10 ICEE C=CC[C@@H]1C(=O)N=C(NC(=O)COc2ccc(I)cc2)NC1=O 1852030776 QSFHJJDIUCLMKT-UHFFFAOYSA-N 427.198 0.991 30 10 ICEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 477088847 PMKVTCIDSWDLEB-UHFFFAOYSA-N 444.469 0.636 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3nnc4n3CCC4)CC2)cc1 478109768 CTUYGVZLRWYHTK-UHFFFAOYSA-N 429.506 0.355 30 10 ICEE COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)o1 480936083 RGTWRCPKUMWDKC-MRXNPFEDSA-N 443.525 0.954 30 10 ICEE CN1CCC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)(N2CCCCC2)CC1 742012645 ZNNQIFLGENECHX-UHFFFAOYSA-N 433.578 0.792 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@H]1CCS(=O)(=O)C1 774238364 YRDKGMMAWVTOBI-JSGCOSHPSA-N 439.515 0.472 30 10 ICEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782955412 IJHSIUVUHXPOPS-OAHLLOKOSA-N 446.537 0.418 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1286341199 CIYXACUMGWIFCE-INIZCTEOSA-N 435.554 0.920 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286607919 LZBHIUIZQKQAQL-KXBFYZLASA-N 425.555 0.735 30 10 ICEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286666244 HTYCBYYQWUAPFB-HNNXBMFYSA-N 429.525 0.263 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286785658 IDKBOBXSIJGTGG-WBVHZDCISA-N 432.525 0.553 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1286822269 CCPWOYONTITYQM-LJQANCHMSA-N 435.554 0.442 30 10 ICEE CNC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1299234883 CUMNEVCJGPHYHL-AWEZNQCLSA-N 430.465 0.836 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301497180 QVQMMEOHAGRGLR-OAHLLOKOSA-N 443.508 0.613 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301507189 ZATPVAJRVFETHO-KRWDZBQOSA-N 432.550 0.970 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CCC)C(=O)C1 1301510472 YDFYBRNWBLFSQX-UHFFFAOYSA-N 428.541 0.891 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1316532850 WYPYYBTWDWIMET-PBHICJAKSA-N 439.473 0.679 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1358994378 LRJXOCBIFZIBIF-MSOLQXFVSA-N 433.534 0.419 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(CC)(CC)OC)CC1 1359028686 AKCNQYSAPIPJTG-MRXNPFEDSA-N 426.587 0.849 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359297919 GYNABHMQKKPWCY-HXUWFJFHSA-N 425.497 0.466 30 10 ICEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCOCC1 1360167225 NXBDXEZITMWXFU-UHFFFAOYSA-N 448.501 0.561 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCCC=C)NC(=O)OC(C)(C)C)CC1 1455115830 SJBBTUBCUJVPQC-MRXNPFEDSA-N 428.555 0.848 30 10 ICEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 1460595829 FQUZTBWALMBYJT-UHFFFAOYSA-N 433.350 0.871 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@H]2CCOC2=O)CC1 1466302299 IWPSJUOWCYFHCV-INIZCTEOSA-N 434.518 0.401 30 10 ICEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503180373 CUSMWMSSVGTQRI-QGZVFWFLSA-N 441.540 0.896 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1507630856 IXZCDYNSLAIFGN-AWEZNQCLSA-N 427.494 0.031 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CC1 1507723754 TUWLIYYBEKHAOO-GOSISDBHSA-N 439.495 0.554 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCS(C)(=O)=O)CC1 1507884696 KXEQEWHWSWNWFZ-OAHLLOKOSA-N 432.568 0.398 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508093628 JEPVZERNVLDZEM-AEFFLSMTSA-N 433.557 0.106 30 10 ICEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508095358 WUCOMCYHGYWFJV-DNVCBOLYSA-N 441.554 0.244 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1508409045 AHKBTPAXISAMSQ-HUUCEWRRSA-N 427.575 0.595 30 10 ICEE N#C[C@]12CN(C(=O)c3cccc(NC(=O)CCn4ccnc4)c3)C[C@H]1CS(=O)(=O)C2 1537005595 JMZGEVJPIFBPCE-OXJNMPFZSA-N 427.486 0.922 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(=O)N2)CC1 1539891157 ZSWLSBMGHLMQNA-CVEARBPZSA-N 438.554 0.292 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540004566 BAXYZBVIPXLLNH-ZNMIVQPWSA-N 441.510 0.691 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 1541927675 OHHKXCQILLFOPA-VBQJREDUSA-N 430.506 0.526 30 10 ICEE COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1557987894 KNGMLSYYZDBFKT-HIFRSBDPSA-N 429.882 0.379 30 10 ICEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1558751241 QLGGVFTWSRPVQU-AEFFLSMTSA-N 442.559 0.457 30 10 ICEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1585138271 HDWQKRPLOAQHMZ-DQLDELGASA-N 449.529 0.538 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 1587892219 BLTUXURTAJCMEW-SYWGBEHUSA-N 431.445 0.660 30 10 ICEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(O)(c2cnnn2C)C1 1588318552 XDYKTATURUAGPY-UHFFFAOYSA-N 436.266 0.957 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593807237 IUBMBLHIARCTRM-NWDGAFQWSA-N 445.933 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595797709 HXVCZRXWNFEZMC-IRXDYDNUSA-N 441.554 0.114 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)C1=O 1616492628 SNUJHHYNYFLHHE-ZWKOTPCHSA-N 426.473 0.465 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1623669522 RVNHSZUVIWSKFD-AZUAARDMSA-N 437.475 0.945 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 1656642670 ZKUHRYNHEXLPFJ-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1659652876 ZXPSQEPTDMPGRD-IRXDYDNUSA-N 439.607 0.718 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)CC1 1662588760 VAAWXMJRVQIUEU-INIZCTEOSA-N 432.546 0.602 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)CC1 1671766611 ARHPBWXCAFLDIX-CYBMUJFWSA-N 442.469 0.383 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689984291 MUIYHKAJCRRXOE-HNNXBMFYSA-N 440.547 0.908 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689985960 GAOKQXQKHMNYDC-GFCCVEGCSA-N 426.449 0.281 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689986655 UPVZLHKBYSWNBY-WQIZZMQYSA-N 435.575 0.821 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1690313281 PKMQROWDIPZVPL-INIZCTEOSA-N 425.555 0.865 30 10 ICEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690515798 UQEIHMAJRFSZPI-QWHCGFSZSA-N 440.492 0.774 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690674700 BPKNAMVGTTWHKU-UHFFFAOYSA-N 443.552 0.684 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1705580867 RYFMEYJEKLVAEC-UHFFFAOYSA-N 448.574 0.746 30 10 ICEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722370325 BLVIQMYAIROKIN-QGZVFWFLSA-N 445.545 0.662 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722433560 ZYQVOUBGGJBXQQ-WZONZLPQSA-N 444.580 0.989 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1748219113 WXVBMXMRLNDOFM-QFPXGYFVSA-N 445.524 0.344 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760137587 KUJQAOAFHHLBFQ-HZPDHXFCSA-N 443.595 0.502 30 10 ICEE CCc1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763132679 XTEUCGJDJUQAPG-ZBBYCGENSA-N 429.525 0.668 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1763268577 FZIZOJAWGDJPNH-AOMKIAJQSA-N 440.504 0.652 30 10 ICEE C=CCNC(=O)NC(=O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195348925 YYBIULQHRKVSEB-AWEZNQCLSA-N 441.462 0.183 30 10 ICEE Cc1cc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n2ncnc2n1 108190185 CNUZCWSPRAVSCU-UHFFFAOYSA-N 439.501 0.568 30 10 ICEE Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cn1 525460824 QZOYFYFJCWOWAR-UHFFFAOYSA-N 427.483 0.562 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 558918025 GSMOHINUSCIQRM-AWEZNQCLSA-N 440.547 0.252 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C[C@H]1CCCO1 603990251 VOLXTFANSXPBKJ-QGZVFWFLSA-N 443.525 0.363 30 10 ICEE N#Cc1ccc(CN2C(=O)CN(CN3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cc1 726585424 UTQAEUXJBYXSBS-IBGZPJMESA-N 425.489 0.851 30 10 ICEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 729330397 CKVZRBISECBSHB-KRWDZBQOSA-N 440.543 0.278 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)cn1 772313694 NHTWGCKRINFTFI-UHFFFAOYSA-N 439.472 0.527 30 10 ICEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1C)[C@@H]1CCS(=O)(=O)C1 809826515 ITGPKPMTJBVBOU-HXUWFJFHSA-N 442.589 0.807 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)NCc2nc(C#N)cs2)[C@@H]2CS(=O)(=O)C[C@@H]21 1255897814 HHPCQYXWUQYKAQ-OLZOCXBDSA-N 441.535 0.943 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286393326 DLCDRLCHPMZXTR-SQNIBIBYSA-N 449.577 0.578 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286792954 NHFRLWISFJNJMS-OAHLLOKOSA-N 438.529 0.847 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1304910441 IMSNAKITORSERD-IVZQSRNASA-N 437.504 0.874 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CCO1 1315014135 BBEGVRSRMRLJEI-WBVHZDCISA-N 432.456 0.664 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358955500 MYRMBKBLKQAIQD-RDJZCZTQSA-N 436.582 0.526 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359290993 AGGKVNXIIGLMMY-UHFFFAOYSA-N 425.493 0.552 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1494105953 FNVLMVDNDSNOMS-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1495516434 LVXGHTNQHLTRMR-AYGAQVIVSA-N 436.538 0.941 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508094931 QWLVJEDYLPSXEJ-OAHLLOKOSA-N 442.476 0.809 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540877566 ZCMLJMPNDSDVRN-WDYCEAGBSA-N 445.524 0.616 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1540905916 XDPBBNGNYGJONZ-HZPDHXFCSA-N 446.595 0.644 30 10 ICEE CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O 1547694621 ZRIREDMVVSNMIU-CQSZACIVSA-N 432.506 0.752 30 10 ICEE CCOCc1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1548097506 NMXBFXBOCSZKEE-GFUWFAGDSA-N 443.508 0.588 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCC=C)CC1 1588929909 ISIGXYGJPKHUDE-GOSISDBHSA-N 449.577 0.739 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 1588947643 SCRDVIBUQGJTBJ-UHFFFAOYSA-N 438.598 0.724 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)C 1589493093 FURFSAUSCHJIHQ-INMHGKMJSA-N 442.586 0.830 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1593637167 ZHDXVUQFWBSLSC-YLFCFFPRSA-N 425.555 0.906 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1595569734 NWFNGGXENMNXHS-UHFFFAOYSA-N 426.521 0.661 30 10 ICEE COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1618356386 BSTZBNCUSSQKFF-GFCCVEGCSA-N 431.264 0.498 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 1630794590 LTNOFKIQKSHFGX-UHFFFAOYSA-N 441.941 0.772 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 1636480531 RCIJAOXLDKXEBD-UHFFFAOYSA-N 426.296 0.322 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1636784177 FXGXMCRVPNDYLA-UHFFFAOYSA-N 433.534 0.169 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1650848997 PWEQYCVZIKOECR-HNNXBMFYSA-N 430.571 0.928 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1705824961 FQLGFNPPIDOIDO-HNNXBMFYSA-N 428.559 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705909270 RUBPWTZTBXNVCO-BJLQDIEVSA-N 448.568 0.605 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1706854250 FYIHFRGWXYZNOI-QRWLVFNGSA-N 447.565 0.463 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=O)N2CCOCC2)CC1 1722446337 SEEONOLDXWLRFK-UHFFFAOYSA-N 437.504 0.165 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722529161 PPFWBNDRCYOWQT-KDOFPFPSSA-N 428.559 0.443 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722692368 JZWQBADCJZEMLZ-JOCHJYFZSA-N 447.584 0.800 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722706072 MIZPWZNZJVOFPK-GOSISDBHSA-N 446.483 0.640 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1740554343 XXXVEWJRSUDYGC-NVXWUHKLSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748802253 OGRQSGVVDJAZGM-GJZGRUSLSA-N 425.580 0.892 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1748814866 KIHDZDURYMTMFG-RHSMWYFYSA-N 446.533 0.763 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749269082 MOEYTOLDKDBMIA-QGPPMGRFSA-N 445.973 0.961 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749676125 FQEYRISVLOTMQO-UHFFFAOYSA-N 447.565 0.426 30 10 ICEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1750196876 GKIZTSQKVOBVLM-QGZVFWFLSA-N 428.518 0.966 30 10 ICEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767316712 JTJHFMPSQJGDOS-FQEVSTJZSA-N 433.534 0.965 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1768245569 LVFLBQNYVFZNCJ-SJORKVTESA-N 428.518 0.966 30 10 ICEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCCCN2CCN(C)CC2)c(C)c1 1853589078 IYNRZWPZNYQBJY-UHFFFAOYSA-N 449.581 0.841 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)n1 2256868257 QOLTWPYIZMGMMV-CQSZACIVSA-N 430.270 0.514 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 466024407 CYCGXXATBLXMFG-GOSISDBHSA-N 429.521 0.296 30 10 ICEE COc1ncc(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473279550 UPSLOXKUGUDGEF-UHFFFAOYSA-N 443.485 0.742 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CCC3)CC1 566598926 AIAFCCXVXZFKNL-UHFFFAOYSA-N 445.526 0.975 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 576889858 PNBZNCWHEQRFHB-MSOLQXFVSA-N 436.557 0.605 30 10 ICEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@H](C)c1cccs1 730144870 SVSJGANDTWBOLF-OJRRAVCASA-N 425.580 0.923 30 10 ICEE C#CCN(C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774173168 UGURBMLZOAYGQW-MRXNPFEDSA-N 437.518 0.494 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cnn(C)n2)C1=O 807936763 RRFFHMJZATZVOW-DVCONVQISA-N 444.565 0.321 30 10 ICEE COC[C@@]1(C(=O)N2CCC(C#N)(C(=O)OC)CC2)CN(C(=O)OC(C)(C)C)CCO1 1140626943 LHHBAHRIXAPMEW-HXUWFJFHSA-N 425.482 0.944 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1159489552 GUNZFIQNONRYDQ-UHFFFAOYSA-N 431.474 0.547 30 10 ICEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286507413 ZSUHLKIKKSVEIN-QGZVFWFLSA-N 432.594 0.939 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286783259 IKZROHLSHWUAPS-HNNXBMFYSA-N 448.549 0.726 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286822399 DMKKBEKXINOWND-QWHCGFSZSA-N 429.572 0.021 30 10 ICEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300763897 UFJNBQPSUPSTHA-KRWDZBQOSA-N 434.566 0.723 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1358978906 XUAGYUSYNVJYLS-DLBZAZTESA-N 437.566 0.745 30 10 ICEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1464621142 ZUOGEIMNRIPCCT-UHFFFAOYSA-N 431.555 0.805 30 10 ICEE C=CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OCC 1468124508 DPUSRMBNTYFHJQ-INIZCTEOSA-N 425.507 0.798 30 10 ICEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@](C)(C#N)C3)CC2)cc1 1473839184 UOUAMDRFZSLRFK-FQEVSTJZSA-N 434.518 0.337 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1493179674 MEGNFJIYZAYPKC-UFOSLELVSA-N 436.476 0.533 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1507831899 HWIBBYPMSYLUJB-INIZCTEOSA-N 440.570 0.540 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508332323 WBCZDCYEYBIYKH-SJTPKYKMSA-N 443.508 0.413 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219541 DGTFECVACHWDKR-ROUUACIJSA-N 448.570 0.855 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539221894 SFBIZAQFCLQRKH-FUHWJXTLSA-N 443.529 0.935 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539230168 KXQQRWZEGDRUER-QGZVFWFLSA-N 445.549 0.314 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1540908797 NXNNZLMITALSHQ-ZWKOTPCHSA-N 427.502 0.973 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 1543572393 FQUNATUXNAOZIR-QZTJIDSGSA-N 439.472 0.659 30 10 ICEE O=C(NCc1cccnc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1614389039 QLUQAQAMKQWDNO-UUKVCBHOSA-N 442.497 0.930 30 10 ICEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC(C#N)(C(=O)OC)CC2)C1=O 1617961218 PXQBYHTVEBFFTE-OAQYLSRUSA-N 427.461 0.654 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1620095275 VLSNDWKCIKOWOE-BXWFABGCSA-N 439.538 0.292 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)c1cc[nH]n1 1629618230 PESUKYLJVADMEB-GOSISDBHSA-N 429.477 0.883 30 10 ICEE N#Cc1ccc([C@@H]2CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1648467199 YGGZTDNDSVJXHG-FQEVSTJZSA-N 428.514 0.938 30 10 ICEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccnn1C 1654005960 PWPCXVLXNHAARX-ICSRJNTNSA-N 428.468 0.772 30 10 ICEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1654987001 XKHMWHVHBUNUOP-OAGGEKHMSA-N 428.555 0.713 30 10 ICEE COC(=O)C1(C#N)CCN(C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1682178958 GKGPQCKFEUDHPP-UHFFFAOYSA-N 436.490 0.556 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1687780981 WTRPWKJVERXYCT-PMPSAXMXSA-N 441.554 0.322 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1689993585 HMRJZZVGLGEFQX-KRWDZBQOSA-N 443.529 0.781 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690288139 JQMPIIYOTJUMCD-QGZVFWFLSA-N 448.549 0.922 30 10 ICEE CS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698320282 AVQLDCNHJMWJIT-MRXNPFEDSA-N 435.579 0.656 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)CC1 1722584374 YHTGMNYOHJCODW-HNNXBMFYSA-N 447.583 0.058 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1723622230 SRKCEBIGBLVNKE-RDJZCZTQSA-N 443.483 0.628 30 10 ICEE C[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726568361 UOJMYBKQNBDXKE-MCYOWCNASA-N 448.549 0.943 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CCO1 1729679147 HEIRCAVQGQSGJM-UTKZUKDTSA-N 428.493 0.555 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740626378 UHDYOHCANGZMBO-SFHVURJKSA-N 445.545 0.432 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)CC)CC1 1740840420 YLPRJSHYEUCALL-HJWYETAXSA-N 445.611 0.782 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)CC)C1 1740971578 ZNBYJEWNKJPZPK-OAHLLOKOSA-N 426.543 0.235 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1748634278 DEYBZNBGWWZSRA-AWEZNQCLSA-N 435.510 0.080 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1748858618 QTOCXKJIFAKFPK-GOSISDBHSA-N 449.577 0.891 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1748858619 QTOCXKJIFAKFPK-SFHVURJKSA-N 449.577 0.891 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1748945544 TZBHDBKPIRTOOT-MRXNPFEDSA-N 434.497 0.557 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760189166 RUVXAXIBDUGBSS-WMZOPIPTSA-N 443.529 0.804 30 10 ICEE NC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772790152 KMIGGVRCCIWCSI-AWEZNQCLSA-N 435.389 0.102 30 10 ICEE C#CCOC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1892153507 GPWKJEIYVBGRGX-UHFFFAOYSA-N 449.529 0.078 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669455 DLOOMABESJEBQV-CWRNSKLLSA-N 449.313 0.660 30 10 ICEE C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247876527 QWFFZKZIDJMVJJ-CQSZACIVSA-N 436.343 0.686 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255601053 DJOXNOUWWQSGQJ-YUNKPMOVSA-N 433.318 0.854 30 10 ICEE CC1(C)OB(c2csc(S(=O)(=O)NCCS(=O)(=O)C(F)F)c2)OC1(C)C 2282337862 JWXWJWZYWFJAMN-UHFFFAOYSA-N 431.313 0.963 30 10 ICEE C=CCN1C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C(=O)NC1=S 2297471395 OVRNIVRDIZVVTQ-CQSZACIVSA-N 444.513 0.856 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 434546300 GOKDLBNHDIKLFB-UHFFFAOYSA-N 447.439 0.643 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 481020483 DFRWIADCMQCHSY-UHFFFAOYSA-N 432.481 0.646 30 10 ICEE O=C(c1ccccn1)N1CCN(CC#CCN2CCN(C(=O)c3ccccn3)CC2)CC1 551387118 RIHTXEFOICNPDT-UHFFFAOYSA-N 432.528 0.696 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(I)c2)CC1 610081945 AUDZLDIINJODOV-UHFFFAOYSA-N 449.314 0.900 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732456334 HGPBZEMUPXGCID-WUKNDPDISA-N 436.513 0.365 30 10 ICEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 751731543 RCRYUDCTRILOQB-UHFFFAOYSA-N 434.449 0.726 30 10 ICEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 789324871 WAINEAZPEZNUOM-GOSISDBHSA-N 427.505 0.931 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790354741 HDCSRTGFYFIDFR-UHFFFAOYSA-N 435.509 0.524 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 805769128 KZMWESNEAKAMGH-CQSZACIVSA-N 439.460 0.497 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C2CCN(C(=O)OCC)CC2)CC1 1235343329 NLGHZVOCBKYUGG-OAHLLOKOSA-N 429.543 0.038 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(N)=O)c1 1286272536 CMXDZOSPYKTPFC-KBPBESRZSA-N 434.522 0.259 30 10 ICEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1286484521 PVNKRKYYBXNSKW-UHFFFAOYSA-N 432.550 0.526 30 10 ICEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 1286682599 BBJWKHLVBYDTCJ-AWEZNQCLSA-N 434.588 0.326 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286693163 MPJZALASQCBUGG-JKSUJKDBSA-N 440.570 0.682 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1286786314 BLOFPGXKECZXFX-UHFFFAOYSA-N 438.510 0.179 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301459154 SJCFMUFHECCNBN-HNNXBMFYSA-N 449.537 0.423 30 10 ICEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314491556 ONBRTXSIWFUOJM-MRXNPFEDSA-N 439.524 0.814 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1358889466 BYLLRPQKGJKRJH-QWHCGFSZSA-N 443.480 0.709 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1358964400 YMGIQLMOXVWXGP-MSOLQXFVSA-N 448.549 0.300 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cncn1 1359015053 GHFYPKQSLZKVTD-HNNXBMFYSA-N 446.512 0.959 30 10 ICEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 1505323079 CIGVQIBORSXSNM-ZDUSSCGKSA-N 430.481 0.692 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1507653677 QAQWPZFLCSKZQH-MRXNPFEDSA-N 440.508 0.836 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1507752178 TVWNIOULPFRQOU-UHFFFAOYSA-N 446.533 0.667 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(C)(=O)=O 1507820500 FOQPAIJQLWVRMD-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1539497376 LPPWBJLSMRQZQC-CABCVRRESA-N 438.583 0.688 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595603034 VWHLNCREONJSEC-IAGOWNOFSA-N 431.541 0.175 30 10 ICEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1619083192 CYAOIKCXYXKLSW-HUUCEWRRSA-N 442.476 0.978 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1620158589 DDACHRJJASJOFA-MRXNPFEDSA-N 428.518 0.953 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(N(CC)CC(C)C)n2)CC1 1632966173 JXSFFFJUWHIRQL-UHFFFAOYSA-N 427.596 0.780 30 10 ICEE C#C[C@@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1637744378 RRPADRGYKWUNJZ-NSHDSACASA-N 435.271 0.333 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1638311342 JAASKADCLIHOCZ-UHFFFAOYSA-N 430.505 0.748 30 10 ICEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1638803735 KNMOCCLXRAGQCC-MRXNPFEDSA-N 449.577 0.864 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(OC)cc2N)CC1 1644285681 WOCDJMQVGKTVTI-UHFFFAOYSA-N 431.312 0.265 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1661771775 WVWVMKYTINGULR-QGZVFWFLSA-N 442.582 0.473 30 10 ICEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690464940 NRBGIEBIORZMEH-SJORKVTESA-N 425.555 0.878 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690659111 KBVZHWBDRCXWLZ-VFNWGFHPSA-N 441.492 0.612 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C1 1690684608 JHPZSENLUVPITB-QGZVFWFLSA-N 430.513 0.470 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCn2ccnc2C1 1692799107 FQEQJHDXLOCPSN-SOUVJXGZSA-N 434.526 0.076 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1705583190 RZWVKQCHEMOEMS-HNNXBMFYSA-N 434.547 0.383 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1705603842 XVSVOZIWRPDGJK-QGZVFWFLSA-N 437.591 0.971 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705894348 WBKMMFAOXRCENZ-KRWDZBQOSA-N 441.540 0.866 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705934779 WYLUYCAGPBJIGF-KGLIPLIRSA-N 425.511 0.219 30 10 ICEE CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731008833 CQXZUVVGQUBBQS-UHFFFAOYSA-N 439.501 0.843 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740623195 PTEFALFHJLEKFM-DLBZAZTESA-N 432.550 0.118 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1740702202 XGPSMRNGMLMJHW-UHFFFAOYSA-N 429.488 0.959 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740850218 DHQZTWWRNFCHME-XHSDSOJGSA-N 441.554 0.775 30 10 ICEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740889096 YYWHFLSHYLUOJT-INIZCTEOSA-N 432.525 0.302 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748965025 LLCHGTXQUXDEFC-SFHVURJKSA-N 432.550 0.631 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1749444732 DLPDWJFJGFWTDZ-UONOGXRCSA-N 428.515 0.122 30 10 ICEE COCc1nocc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1749454658 CXFGNMZXXOSMRE-MEDUHNTESA-N 427.462 0.513 30 10 ICEE CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1=O 1750836016 SEKCQBJTPYJQAN-AWEZNQCLSA-N 449.537 0.706 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760188278 JEDYNIUENQGQQW-SFHVURJKSA-N 425.518 0.943 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCCC2)CC1 1760253908 KPGQVJQVLMCAFY-ZWKOTPCHSA-N 437.614 0.518 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760452382 MLNVHWLDOKZKOO-MRXNPFEDSA-N 445.524 0.466 30 10 ICEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1761436906 DXPHRYFAQOKFQR-GJYPPUQNSA-N 440.545 0.590 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCOC)nc1C 1872706571 FOPVKGPRIGNUPO-UHFFFAOYSA-N 425.423 0.571 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](O)C1 2255647371 XUOZTOJEWQHSIN-UONOGXRCSA-N 434.302 0.486 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 2255951057 YMRRZQNGGUIFPF-MRXNPFEDSA-N 447.370 0.667 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875108 DLFFHPNSKROVRW-KGLIPLIRSA-N 448.329 0.876 30 10 ICEE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(N)=S)c3c(c(OC)c2OC)OCO3)C1 254295145 LEXUBVUHUKALCU-SECBINFHSA-N 438.462 0.850 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508919308 HCWOARGGXMUYNL-BEFAXECRSA-N 441.554 0.571 30 10 ICEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC1)C2 578564537 CAHMLYKITWXTAA-ROUUACIJSA-N 431.562 0.606 30 10 ICEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 603796911 FOBXNWUXGNRJTD-UHFFFAOYSA-N 444.582 0.429 30 10 ICEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1144709333 QTRMYIUCUNFQJZ-INIZCTEOSA-N 432.424 0.938 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(N)=O)c1 1286272545 CMXDZOSPYKTPFC-ZIAGYGMSSA-N 434.522 0.259 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286394716 PDDWVXMANSSILK-OWCLPIDISA-N 440.591 0.853 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286397843 DAEPRDZEOXAAAF-FCEWJHQRSA-N 426.539 0.544 30 10 ICEE C#CCSCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1286511953 GLASHBKPSMPTNZ-FQEVSTJZSA-N 437.566 0.592 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286781283 PYXQCCRYLAPGEY-VFNWGFHPSA-N 434.541 0.883 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1286822425 JWSZTXQHOWVVBN-UHFFFAOYSA-N 433.534 0.609 30 10 ICEE Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ncc1C#N 1294000162 SINNJLQQRVBWSF-UHFFFAOYSA-N 449.533 0.969 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358967004 BGPXVQBIJKLVFA-JQHSSLGASA-N 448.549 0.411 30 10 ICEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359229099 YIHOVZCJXGSJNK-UHFFFAOYSA-N 446.552 0.331 30 10 ICEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503199885 XEAZJECTBQJWFO-MRXNPFEDSA-N 439.524 0.927 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1508078668 FYOPCYOZHBEUCY-QGZVFWFLSA-N 435.488 0.747 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCSC1 1510171711 DNDXUYIGMLGDBO-CXAGYDPISA-N 428.584 0.886 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540870814 XROICOZXZSJLFV-NVXWUHKLSA-N 445.524 0.241 30 10 ICEE CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1541137780 DFMZCFWDRLBODU-SCLBCKFNSA-N 426.518 0.784 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CC1 1541206283 JPGWFJXQKGRAQU-LSDHHAIUSA-N 434.497 0.840 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554409523 YLNPIQFGJYGNDR-LXAZUXPWSA-N 443.508 0.618 30 10 ICEE COC(=O)[C@H](CCC1OCCO1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558043918 RXEACTQNZKWKMM-OCCSQVGLSA-N 439.490 0.315 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588054300 NDBNPXJGQFJFLA-WBVHZDCISA-N 446.533 0.703 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1588198968 CRQQLHXNECUCOE-UHFFFAOYSA-N 432.502 0.065 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595784854 LJUHQYLFGVDXEI-DLBZAZTESA-N 430.534 0.998 30 10 ICEE CC(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603411691 YCUJFOVFWYWDAO-BFHZPYKDSA-N 427.509 0.718 30 10 ICEE CCN1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1615830240 DNIXLKWXGGAMEA-UDJKBAMHSA-N 443.508 0.367 30 10 ICEE C#CCN(C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1628819549 BQWKINKVVFQJNL-BRWVUGGUSA-N 427.567 0.728 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1638331302 RSLDYFFLXJLNDI-UHFFFAOYSA-N 431.555 0.804 30 10 ICEE Cn1c(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(=O)n1-c1ccccc1 1645067565 BFWLQQHJSRYVDY-UHFFFAOYSA-N 425.470 0.642 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 1650849088 TVDQBABKIWJYMR-UHFFFAOYSA-N 443.551 0.393 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690509144 XXWCMVSUQUJBOY-IKGGRYGDSA-N 437.566 0.735 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1705552160 WCKCWAPXKBJXCZ-RXVVDRJESA-N 445.545 0.514 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1705934097 BDDRDKQVHQWSII-MRXNPFEDSA-N 438.554 0.277 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705936164 KXLSPFFEGFQCPQ-IAGOWNOFSA-N 437.566 0.974 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722698088 BSJUPQKYVWMZTH-SFHVURJKSA-N 428.541 0.530 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)F)CC1 1740708185 FUQPZODPGRMXCT-UHFFFAOYSA-N 438.479 0.996 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740957163 CUQGVPPTVKOPRG-UHFFFAOYSA-N 449.581 0.836 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748732223 WJMUQUFFNVWKPY-CABCVRRESA-N 446.599 0.067 30 10 ICEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1749383849 JOHNQCZBGRPTGH-DNVCBOLYSA-N 425.555 0.961 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760127241 UNJVEIMKHYMVDC-NCOADZHNSA-N 425.555 0.742 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccnn2C)CC1 1760515806 ZYZDPIHBXACQJX-UHFFFAOYSA-N 426.525 0.934 30 10 ICEE CC(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1760858463 HLDFCSRCVVMLSO-CQSZACIVSA-N 431.522 0.771 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1769143767 HPFNIRDUHMZOOD-LJQANCHMSA-N 440.504 0.917 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1853319233 GFDKUHHFILJWJY-RBUKOAKNSA-N 437.518 0.605 30 10 ICEE COC1CCN(CC(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC#N)c3ccccc32)CC1 1857037719 HHRURZLCKAECSG-OAHLLOKOSA-N 434.518 0.966 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620187 XCCGXTKOZUALIT-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)C[C@H](C)O1 441037095 QHOVEIAYHOPFRN-VYMRPNJYSA-N 427.571 0.998 30 10 ICEE C[C@H](O)CN1CCN(c2cc(N3CCN(C[C@@H](C)O)CC3)c(C#N)cc2[N+](=O)[O-])CC1 587857233 CZJBVLXSZCXLPZ-SJORKVTESA-N 432.525 0.472 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O 743728489 KBQBLLBIQWABHH-CQSZACIVSA-N 446.554 0.216 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 782792173 FSUHUHZCZBRZDJ-UHFFFAOYSA-N 448.346 0.314 30 10 ICEE C#CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 784604021 NYNZURUUYUYGOB-UHFFFAOYSA-N 431.308 0.850 30 10 ICEE C[C@H](C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)n1cnc(C#N)n1 798747851 PBEKBCVITSPMRM-CYBMUJFWSA-N 446.489 0.484 30 10 ICEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 914595271 XLOZRIGDGFTBPX-WBVHZDCISA-N 435.502 0.200 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 917925467 HAKIRNHBEWOJIE-CQSZACIVSA-N 429.472 0.071 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 1198252638 ZKPHGXAPOUKBCI-KGLIPLIRSA-N 430.552 0.881 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1286394313 NURKTYCQJCVFLX-SJORKVTESA-N 428.518 0.169 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286456940 AVEWFXCSJTUMGK-BXWFABGCSA-N 441.554 0.312 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286788614 ZUXKYXAJIHHWJJ-MSOLQXFVSA-N 445.568 0.565 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1300478789 BLYHLZLVZITVKW-KRWDZBQOSA-N 437.566 0.958 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488970 YCQOKSFEPGPQKN-MRXNPFEDSA-N 433.534 0.832 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300513534 XOJZOCSKLDMHDO-XLIONFOSSA-N 435.550 0.427 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1300823663 IFOAPFOZVKMQDL-UHFFFAOYSA-N 435.348 0.407 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1301617902 LPVJZPGJQIEALL-UHFFFAOYSA-N 429.550 0.976 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1358948545 FEACOQXWBSROFK-YLJYHZDGSA-N 433.534 0.588 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960128 YAJLUXAMBKHBHW-QRWLVFNGSA-N 434.493 0.862 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358961298 VZZYROBKXIMGAW-KSSFIOAISA-N 434.547 0.230 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359222506 KFUKTJCIOFJHGV-KBXCAEBGSA-N 426.543 0.340 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359297758 AUCYOBSEIAFUFW-UHFFFAOYSA-N 438.536 0.387 30 10 ICEE N#Cc1ccc(C2(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CCOCC2)cc1 1454684895 XUXRJLBABFMXGQ-IBGZPJMESA-N 426.517 0.861 30 10 ICEE C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1457204609 XGQYCPDAMINKCT-LBPRGKRZSA-N 431.474 0.258 30 10 ICEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCc2cccc(OCC(F)(F)F)c2)c1=O 1459191605 WDIKNZWSTLQETN-UHFFFAOYSA-N 426.351 0.131 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCCOc1ccc(C#N)cc1OC 1470310776 XKXILKVYCARYSK-GJZGRUSLSA-N 444.444 0.420 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1507517585 QNBWHSSWZWPIJL-GVDBMIGSSA-N 426.587 0.703 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507572893 ADSZQBGAZIWPMM-BZSNNMDCSA-N 438.598 0.849 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccccc2F)CCO1 1521121127 HHMCANJFCIJLQS-HNNXBMFYSA-N 441.467 0.812 30 10 ICEE Cn1nnc2c1CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1530069640 CQXBCWKIXJLQAA-MRXNPFEDSA-N 428.518 0.761 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1539015655 QLQIUFHVZCZXBN-ARFHVFGLSA-N 445.536 0.994 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1539125471 MIXMGYYCBULZAR-INIZCTEOSA-N 439.538 0.414 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539498302 RTTGOVBNQYJHMC-HOCLYGCPSA-N 437.595 0.431 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCc2cnccn2)CC1 1588071636 KMWZJTRNWVBJJD-UHFFFAOYSA-N 428.518 0.292 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1589068413 BLFKSYPOJCBFNI-LBPRGKRZSA-N 441.501 0.976 30 10 ICEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1589109827 KLVDYLYCTJLFBJ-AWEZNQCLSA-N 445.574 0.850 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(=O)NC)CC1 1594096841 JKUJRNIXTHXPPT-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)CC 1614079549 FPBGQYJYAROTEP-QGZVFWFLSA-N 425.493 0.922 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cc[nH]n1 1616898924 CDRRTIAAXWLGNZ-AWEZNQCLSA-N 436.490 0.981 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CCO1 1618692372 CQOMMFISONXCRZ-KRWDZBQOSA-N 425.493 0.636 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 1632960988 RTQXPIVRGPTUPP-AEFFLSMTSA-N 438.937 0.471 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1632966825 ZWNPZBRRXZZHTQ-HNNXBMFYSA-N 427.527 0.185 30 10 ICEE N#C[C@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1640690914 GENCKQYECANELI-SNVBAGLBSA-N 436.259 0.223 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1)c1cc[nH]n1 1641387582 TXHCHNLSTHCDTD-GOSISDBHSA-N 442.520 0.626 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1645144148 XWVQGDBAFBKKOD-HIFRSBDPSA-N 425.532 0.841 30 10 ICEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1654975469 SMIHJJPDQGBZCS-MEDUHNTESA-N 431.923 0.552 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1 1684083863 ZUJDNKKUHMIEHJ-OAHLLOKOSA-N 448.574 0.805 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1690092772 VGUSWTRBFZTYIE-UHFFFAOYSA-N 439.398 0.690 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1690108984 BPTFYKLYUFYWOT-UHFFFAOYSA-N 431.585 0.407 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690644316 DJJBVNDRIYVJOO-HOCLYGCPSA-N 438.554 0.292 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690658847 BNDMJIBTMSZLLR-LSDHHAIUSA-N 438.492 0.475 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690668652 DCLJEQXWICGXRN-INIZCTEOSA-N 428.541 0.969 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1692799108 FQEQJHDXLOCPSN-ZNMIVQPWSA-N 434.526 0.076 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1696913679 IBIZYGQXSFEHFH-ZHRRBRCNSA-N 441.536 0.614 30 10 ICEE COc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1697529809 AMSMVZBEIARTMH-YOEHRIQHSA-N 434.522 0.868 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)CC1 1705642531 WVJAGZMOHSQLRD-UHFFFAOYSA-N 435.532 0.497 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC)C(=O)C1 1705936086 JRCSKIVODHYONT-MRXNPFEDSA-N 425.555 0.832 30 10 ICEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1706349127 JMDBFGUIZUMRDC-AXPPELJESA-N 443.508 0.617 30 10 ICEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1712696425 AUBVAFQUEVQMJL-DLBZAZTESA-N 428.518 0.966 30 10 ICEE CSCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1712819520 SMTSUHREANOUBB-DOXHGZAWSA-N 433.538 0.945 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1740686926 YLVHGOWLSXJEGJ-KRWDZBQOSA-N 437.566 0.669 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 1748790768 LZBPDYCALZUDBK-CYBMUJFWSA-N 441.464 0.456 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809903 QKWHBXXDCKFYOX-HNNXBMFYSA-N 431.518 0.669 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N[C@H](C)CC 1760116753 JTIKEZUKFSOVRM-PMPSAXMXSA-N 440.570 0.374 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1768245563 LVFLBQNYVFZNCJ-DLBZAZTESA-N 428.518 0.966 30 10 ICEE Cc1nn(C)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824306 FQACEZHVIREKIV-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2311709729 ACDMJVXKPLTAOK-ZTYXSZCMSA-N 438.330 0.878 30 10 ICEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 410119408 DGEWXKCRCXLDPR-HNNXBMFYSA-N 429.568 0.443 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 508727008 ZIRCKDZIEPDREK-KRWDZBQOSA-N 447.923 0.991 30 10 ICEE CC1(C)CN(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 523643472 XEVDLYGQXTZCQS-UHFFFAOYSA-N 435.550 0.685 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1C[C@@H]1CCCO1 531437995 FCPITRPCROFMDF-HNNXBMFYSA-N 443.525 0.664 30 10 ICEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1nnnn1C 549274991 UMEOCGACEXTKAU-UHFFFAOYSA-N 431.526 0.931 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 553583970 ZCJIINWIPQTVMY-ZFWWWQNUSA-N 428.536 0.155 30 10 ICEE COc1cc(C(=O)Oc2ccc(C=NNC3=NC(=O)C(=O)N3)cc2)cc(OC)c1OC 765593783 PMZMFHBJUYBSHA-UHFFFAOYSA-N 426.385 0.868 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1234609330 VLQPEHQMNPAXIO-AQFXKWCLSA-N 437.522 0.603 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286392746 NEHKDBDFKDECIN-QGZVFWFLSA-N 430.534 0.415 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cncn2)CC1 1286485926 COJQVQDNCVBVTE-UHFFFAOYSA-N 448.491 0.183 30 10 ICEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1286796746 NLBBLJHTUCVNTA-SFHVURJKSA-N 442.520 0.981 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1290975690 CFUASYOGKCAANN-OAHLLOKOSA-N 446.533 0.545 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1300663745 IDXBGHTVUCAGEW-SFHVURJKSA-N 439.520 0.595 30 10 ICEE CN1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1314928543 ODOLJQQOFMTDTN-VXPUYCOJSA-N 436.476 0.069 30 10 ICEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)cc2)cn1 1321540501 QWESQXQOHYTNEZ-UHFFFAOYSA-N 446.536 0.669 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)Cc1ccon1 1358990507 QLIYEGPIECGEDX-UHFFFAOYSA-N 439.501 0.911 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1359010567 TZDPHXXDUUDOSI-KRWDZBQOSA-N 447.565 0.580 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1503769725 BRXJABBPMVWAMI-KRWDZBQOSA-N 437.504 0.814 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507630579 CNLQENQGPNPISG-QGZVFWFLSA-N 449.606 0.354 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2CC2)CC1 1507734305 UNUXHVWOYQRCDE-UHFFFAOYSA-N 441.536 0.006 30 10 ICEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1507994026 RCCUFJSPXWTUTI-HNNXBMFYSA-N 440.595 0.763 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)C1 1508124654 MADIKYIDEUMZOX-DLBZAZTESA-N 443.570 0.817 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539230167 KXQQRWZEGDRUER-KRWDZBQOSA-N 445.549 0.314 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)n(C)c2=O)CC1 1539430599 LTWGZCJVEUDQTH-GOSISDBHSA-N 428.537 0.813 30 10 ICEE C#CC[C@]1(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1542545568 MCJCNADJDLSZNT-DNVCBOLYSA-N 428.555 0.811 30 10 ICEE Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1542632222 ZUTYAWYRTSFFDG-ZZEZOPTASA-N 436.476 0.501 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1555200769 GNMNGCXNWCSAJG-UHFFFAOYSA-N 435.492 0.794 30 10 ICEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1565697619 HYEISVHNNKMQMB-NVXWUHKLSA-N 430.509 0.050 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595550226 ALNBAZMLHOHCHG-PBHICJAKSA-N 426.477 0.760 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)c1 1624911934 BPKXFUCLQKOHAB-AZUAARDMSA-N 437.475 0.945 30 10 ICEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 1655366251 NCFIZHYIYLUOLD-ZDUSSCGKSA-N 426.495 0.661 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1671159242 QPFALPHBKGWBQX-UHFFFAOYSA-N 429.417 0.618 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1690676682 AOMOGXJGUAHKAT-UWJYYQICSA-N 434.541 0.537 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1705510316 PBERKZOBMBBWRU-MRXNPFEDSA-N 432.554 0.808 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705900923 ULCGPRFFYJEWGH-CVEARBPZSA-N 442.524 0.405 30 10 ICEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1705970114 BOSMMGLTUOEWOM-UHFFFAOYSA-N 437.504 0.923 30 10 ICEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729824718 BFRIAZHFCHJQIC-JKSUJKDBSA-N 439.524 0.926 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1740732302 YLTBPYLZODWSQV-VQIMIIECSA-N 433.538 0.385 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1740951367 WSUMTEBBKFHBQC-UHFFFAOYSA-N 445.568 0.365 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740958728 SUPPQTRYNZXMBR-LSDHHAIUSA-N 431.541 0.663 30 10 ICEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1747649521 BDONJMYTGLLVIM-YWMAMYRUSA-N 434.522 0.380 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1748732396 ZLTLELRKQPRLRQ-AWEZNQCLSA-N 431.584 0.705 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749043554 ITSRXPCWBRKTSM-LJQANCHMSA-N 445.637 0.983 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1749053943 NHJBFLTYVUFKQS-OXQOHEQNSA-N 438.598 0.991 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749954901 RCRUIWLOEHVHJE-RVKKMQEKSA-N 444.533 0.726 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760192253 HBTLKARYKFGKTI-AWEZNQCLSA-N 430.552 0.019 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1760195052 VUJDCEJUFWHXEK-INIZCTEOSA-N 442.545 0.711 30 10 ICEE N#Cc1c(NC(=O)COc2nonc2C(=O)N2CCN(CCO)CC2)sc2c1CCC2 1872678833 NKESGFHFTPEHPZ-UHFFFAOYSA-N 446.489 0.259 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267876638 OKUQUSKXQQURDY-UHFFFAOYSA-N 448.329 0.735 30 10 ICEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](N(C)S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409489787 BHWMWCIKWZWSTB-BBWFWOEESA-N 448.615 0.445 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 481305586 GGHQBXQQTSWESH-UHFFFAOYSA-N 445.476 0.893 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 495831090 DWIUKNGTAFVRIO-SJLPKXTDSA-N 448.545 0.855 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 558674123 FBHLNVPNWNTYPP-DOTOQJQBSA-N 435.554 0.600 30 10 ICEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 588810824 FTTHNANRNSISMS-UHFFFAOYSA-N 436.490 0.101 30 10 ICEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H](C)N1CCOCC1 609213994 KUERZPYQWIZWCO-IAGOWNOFSA-N 435.550 0.683 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 735063711 RVCCYJFSDHRRCS-ZFWWWQNUSA-N 442.563 0.290 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C[C@@H]3CCCO3)c2=O)c1 763436470 SSRHMCMTEVCZHB-KRWDZBQOSA-N 438.509 0.840 30 10 ICEE C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC)[C@H]1CCS(=O)(=O)C1 799306909 AIUVPVDLXYIJBA-INIZCTEOSA-N 447.600 0.766 30 10 ICEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 802633156 PQRMGZNRXOHOPU-OAZPQLMHSA-N 435.506 0.175 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 1175514628 BKPCTBHNMZHMEY-OAHLLOKOSA-N 436.559 0.373 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1175955409 LLXQLXWJPIUPEY-HOTGVXAUSA-N 425.580 0.328 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286391946 KBEOTUDVPFRGAY-HNNXBMFYSA-N 442.588 0.602 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286607565 ICJQYFYPGRMXMA-NVXWUHKLSA-N 425.555 0.830 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286781284 PYXQCCRYLAPGEY-YCRPNKLZSA-N 434.541 0.883 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)CCOC1 1288324437 YZFIDVNKQHYRHE-NQIIRXRSSA-N 434.541 0.770 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301503203 VSBFGQNFAURWHM-SJORKVTESA-N 442.476 0.044 30 10 ICEE COCCn1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(O)nc1=O 1302942830 NSDFJONCPKUZOP-ZDUSSCGKSA-N 445.863 0.790 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 1310059784 UDXJYVJTWPFYIG-UHFFFAOYSA-N 426.495 0.338 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 1311621272 VBENKPFJMRDVCI-UHFFFAOYSA-N 441.941 0.854 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 1312214495 QALRBNIXUSEIQI-OAHLLOKOSA-N 432.506 0.516 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1358948969 PSCKLRIUFMTEFO-QGZVFWFLSA-N 437.497 0.876 30 10 ICEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1451868630 LYUORTRZWFSSLB-XIRDDKMYSA-N 430.548 0.476 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(c3cccc(OC)c3)CC2)CC1 1477693281 JDNLCQKPNZSCDV-UHFFFAOYSA-N 435.550 0.459 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCOCC2)CCO1 1505322752 AUDSHIFPMFRYMY-QGZVFWFLSA-N 428.468 0.986 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1507549808 PDSVWNFLHFWNPX-KRWDZBQOSA-N 430.534 0.924 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1507771579 CGNGWWIXVGBLSI-MLGOLLRUSA-N 433.456 0.851 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507961783 GEIORVJKAYKSEG-SFHVURJKSA-N 446.552 0.897 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1519205869 GURTWLMPZKJDGT-JOCHJYFZSA-N 437.504 0.590 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC 1539017300 ZFBONTAYJIHQCA-IRXDYDNUSA-N 426.587 0.801 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1539125472 MIXMGYYCBULZAR-MRXNPFEDSA-N 439.538 0.414 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1539266833 SPJFCSSDIWNBPX-KSZLIROESA-N 435.550 0.235 30 10 ICEE CNC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560007611 MEKMFLXPVZUFMX-MOPGFXCFSA-N 432.500 0.164 30 10 ICEE Cn1ccnc1[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1 1565455037 QMSIEAAKEKIPGI-OAHLLOKOSA-N 429.387 0.921 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689990750 RIWWUIGSUHMTBE-LSDHHAIUSA-N 426.564 0.607 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1690670538 DPFVBXQUKCPKBW-GFCCVEGCSA-N 441.945 0.506 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)CC1 1705639962 ZUMMONHZCKXPNZ-RTBURBONSA-N 434.610 0.810 30 10 ICEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1705663886 GLXMDVCGJIMJDI-UHFFFAOYSA-N 439.588 0.871 30 10 ICEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705823612 PPJIVWJSXVHDJG-INIZCTEOSA-N 440.504 0.979 30 10 ICEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1706940246 DGYWIHKANZUSJH-JOCHJYFZSA-N 437.504 0.957 30 10 ICEE Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1707865474 FYMZEIGITHCMBZ-VHEBQXMUSA-N 449.471 0.845 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722358059 DFKBLSFGULKYGU-KRWDZBQOSA-N 447.565 0.605 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCO 1722476099 YSBPRASVEDPRPB-QFBILLFUSA-N 425.555 0.766 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1722726131 WQCCOANZANOBLG-UHFFFAOYSA-N 438.554 0.207 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722727962 RSMKFYRCXYPXTK-MRXNPFEDSA-N 435.554 0.817 30 10 ICEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731128546 GTQWXCUQZJRTLN-DZGCQCFKSA-N 427.600 0.818 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1740686578 UHVVZZLJITXODV-GOSISDBHSA-N 448.549 0.449 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740991051 MYICHRZPMMNPRR-HIFRSBDPSA-N 437.522 0.814 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC2CC2)CC1 1749020016 INGJYJCDIYUBJZ-GOSISDBHSA-N 449.577 0.920 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1749022248 HOBOPRGBIRORDA-KGLIPLIRSA-N 438.583 0.725 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(O)CCS(=O)(=O)CC1 1749055120 FJMCWOHKPGYQOY-QFBILLFUSA-N 440.566 0.934 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)C1 1749712665 KJLDPFQHJOCTOO-JKSUJKDBSA-N 425.555 0.734 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@H]1CCS(=O)(=O)C1 1760180626 IIIKCZUNJXEQAQ-BZSNNMDCSA-N 449.556 0.559 30 10 ICEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1760225735 XGFXAKULIZJOGR-SJORKVTESA-N 426.587 0.705 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760449353 HPRIMTHIFIYYRK-GOSISDBHSA-N 445.568 0.566 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760551239 YBQUMPUMZDSIPX-KRWDZBQOSA-N 438.598 0.710 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1772564407 WUTBCPQMZKWCCO-DNVCBOLYSA-N 438.554 0.244 30 10 ICEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2247880311 DNTIEBTXXAXZOA-LBPRGKRZSA-N 444.363 0.911 30 10 ICEE C#CCN1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286016918 WFRPHTIBZOSTNZ-SFHVURJKSA-N 437.518 0.471 30 10 ICEE CCOC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCC1 467184832 XLJSJXUWIIOUTI-UHFFFAOYSA-N 448.545 0.809 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1CCN1CCOCC1 471194570 DOENHIUKXUHCQF-UHFFFAOYSA-N 442.541 0.203 30 10 ICEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)nc1 588196051 FKVRJKPZPXAIDW-LJQANCHMSA-N 432.484 0.960 30 10 ICEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 679532517 VREWDPIWYGVWNY-UHFFFAOYSA-N 440.522 0.031 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCN1C1CC1 732706435 JTGXXAUIYCVLSB-IBGZPJMESA-N 445.483 0.682 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 733149128 YWWVSNKVAZIDAM-HXUWFJFHSA-N 442.535 0.891 30 10 ICEE CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 796180279 NLUGEDSYTIMRRY-UHFFFAOYSA-N 432.495 0.969 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 811789311 YAGYGUQEOBUQNB-UHFFFAOYSA-N 434.522 0.094 30 10 ICEE O=C(CC12CC3CC(C1)CC(CC(=O)N[C@@H]1CCN(O)C1=O)(C3)C2)N[C@@H]1CCN(O)C1=O 820173764 CHQYWMRRKYOXFW-LFPRWPMZSA-N 448.520 0.566 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1286411080 YOLVTGAUFNBHON-PKOBYXMFSA-N 446.577 0.168 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)C1 1286808871 FFYSYSVUWSVEIN-HZPDHXFCSA-N 441.554 0.307 30 10 ICEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1 1299142223 HENWEDARSPPMBE-IRXDYDNUSA-N 426.516 0.792 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300485397 VWQNUFVSXLFGCD-LSDHHAIUSA-N 443.595 0.705 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300988477 DCWAUBNVKJBRPA-GOSISDBHSA-N 434.541 0.949 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301085823 BGMYGIQOFARYQG-KIJUOZEOSA-N 446.533 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301578958 KZUMEXDQHWKANY-OAHLLOKOSA-N 433.538 0.831 30 10 ICEE CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1302500362 GOJVPBJMQNXTAT-KRWDZBQOSA-N 445.549 0.529 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1303488749 FMOAMCNOWCSDPV-NRFANRHFSA-N 432.525 0.917 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1308058150 FGVCUTBMMZEABE-LPHOPBHVSA-N 437.541 0.406 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCCNS(C)(=O)=O 1314741512 RZLLBZDGXJPNFG-UHFFFAOYSA-N 445.549 0.848 30 10 ICEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H]1OC 1316330152 FXJUAAYNXNSWMF-CALCHBBNSA-N 434.522 0.558 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358962139 LACIQLONFCERHX-GJZGRUSLSA-N 449.533 0.915 30 10 ICEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359134206 NVTCFXBBAXYFSP-LJQANCHMSA-N 438.532 0.917 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359291226 IQBKLCNBWCSGSQ-GOSISDBHSA-N 446.600 0.323 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359334061 RUFDTYZAPKBJKE-INIZCTEOSA-N 439.563 0.488 30 10 ICEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)ccc1OC 1443927626 ODIQWCHIKPIFAF-YGWPLHOASA-N 441.488 0.916 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1504887376 BVXGBEBGKXRAIR-SJLPKXTDSA-N 441.540 0.998 30 10 ICEE C#CCSCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1507758617 QQWMOLINOLCBFM-NRFANRHFSA-N 444.561 0.953 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1508136507 SXRSWBHHLMDAFS-OAHLLOKOSA-N 447.517 0.976 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1538975009 WFOBOOTVBJCALL-GJZGRUSLSA-N 448.549 0.785 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539094179 MKDFQORMPCBASI-QZTJIDSGSA-N 437.614 0.518 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1539239335 KTVWGEBMBYQDPX-QGZVFWFLSA-N 434.566 0.754 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540861859 JJOGGDBGPLNQII-AWEZNQCLSA-N 426.543 0.122 30 10 ICEE COc1cccc(CC(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1542422999 ADDCPVQJIUKMLQ-UHFFFAOYSA-N 425.445 0.133 30 10 ICEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1588039748 DRKZPVHAWDBNSY-LJQANCHMSA-N 443.529 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588930193 PHYZJCLPXOWXBM-CECAUBDESA-N 431.537 0.678 30 10 ICEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1594813145 PGKKJPNRZZUARO-CVEARBPZSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1595544070 FQFRCQVORQWBNZ-OAHLLOKOSA-N 438.488 0.817 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 1622018755 CYXFVYLMLNDFAS-WBVHZDCISA-N 425.532 0.798 30 10 ICEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1636884753 COSCCBGAFCCBHB-NDEPHWFRSA-N 441.531 0.139 30 10 ICEE C[C@@H]1CN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1666279223 DYMGNPCENDQHOD-HZPDHXFCSA-N 440.504 0.929 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1690077250 LKUIUGLCBCWPNX-ULQDDVLXSA-N 425.555 0.622 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCCC2)C1 1698312995 CYVNYBXPRQUYOS-IRXDYDNUSA-N 436.538 0.840 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705522422 FEKKJWLANLWPRT-UHFFFAOYSA-N 429.569 0.918 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1705585285 PTQHFQUSROBIHD-UHFFFAOYSA-N 433.497 0.885 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1705629172 YTTFOLCUBFCIAM-DLBZAZTESA-N 441.554 0.124 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)C1 1705926097 YLLYHJHOBQGUGM-HZPDHXFCSA-N 441.554 0.429 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1711085402 GCZHVMZCKPTSDY-KRWDZBQOSA-N 448.549 0.890 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1722366322 HQJZOMPEKDOFQK-HNNXBMFYSA-N 426.506 0.452 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OCC)CCCC2)CC1 1722432478 YFYPYOFWTAGNFC-KRWDZBQOSA-N 438.598 0.993 30 10 ICEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1722565195 NESFNXSSAIWUBQ-UHFFFAOYSA-N 443.533 0.898 30 10 ICEE CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1722850583 HTCMRJFNLCGQLG-AWEZNQCLSA-N 433.538 0.923 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1740600200 IUGDMISYGVJSGX-STQMWFEESA-N 438.476 0.221 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1740620997 ZBFSLFROUIJRTQ-MRXNPFEDSA-N 441.517 0.757 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740876190 FCZNXEHUKXUJIB-LSDHHAIUSA-N 440.526 0.218 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1748260462 LKNMINXPCXRIHM-QFPXGYFVSA-N 431.497 0.618 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C(C)=O)CC1 1748656297 PSMSZVGRCAZQLE-QGZVFWFLSA-N 448.535 0.543 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)CC1 1748990613 JZGVWUYLECMXGR-GOSISDBHSA-N 427.553 0.777 30 10 ICEE C=C(Cl)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749284205 HMHXYGGPYUYECF-AUUYWEPGSA-N 438.916 0.218 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCOCCCO)cc1 1750384448 AMCKFXVHJOOHOS-KRWDZBQOSA-N 441.492 0.342 30 10 ICEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1750516981 CMNFEYQODXZYTR-KGLIPLIRSA-N 445.567 0.122 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1760185163 QYYCCHBDPRPIHO-QGZVFWFLSA-N 432.550 0.545 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1760242693 LPJHVWRSSDAOQB-UHFFFAOYSA-N 432.506 0.589 30 10 ICEE CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1769182964 FVZXGJSTPYQGOO-DJJJIMSYSA-N 449.512 0.738 30 10 ICEE C=CCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)[C@@H]1C 1854273249 LHCKWRYESACCQE-STQMWFEESA-N 428.415 0.863 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 1858310047 PFXKWVDIOPHAQS-UONOGXRCSA-N 444.435 0.991 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1865722272 NXNHYWYWTUZRHW-GFCCVEGCSA-N 448.863 0.448 30 10 ICEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706435 COHDRWYLTPDIOO-UHFFFAOYSA-N 428.453 0.675 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 2286040197 JHCBYFIYBUYKFO-FCEWJHQRSA-N 437.474 0.399 30 10 ICEE CNC(=O)CCOC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487167250 YFEAISQKQGWYHM-IBGZPJMESA-N 427.505 0.986 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508919309 HCWOARGGXMUYNL-DNVCBOLYSA-N 441.554 0.571 30 10 ICEE COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 589157126 LICKMIGIDWGXAD-UHFFFAOYSA-N 441.509 0.293 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603798573 MUNZNTLBPNASJU-MRXNPFEDSA-N 440.481 0.779 30 10 ICEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 743908343 CQFADRRALNZHLC-RDTXWAMCSA-N 441.488 0.505 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCS(C)(=O)=O 812178788 FUZLEMCOFYKDTA-AWEZNQCLSA-N 435.572 0.058 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1256118834 WTRPWKJVERXYCT-OAGGEKHMSA-N 441.554 0.322 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)C1 1286800065 FJIXKVYTPWWNFW-CABCVRRESA-N 442.586 0.832 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1301536305 UKEXUJFUOKDDTO-SFHVURJKSA-N 433.557 0.362 30 10 ICEE C=CCC1(O)CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1312833637 LXVNUYVZXGWYAW-UHFFFAOYSA-N 437.518 0.943 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@@H]2CCOC2)cn1 1358969577 RRMJVQJWYBVZLW-IAGOWNOFSA-N 445.549 0.362 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 1460637464 WBQLWGRCOUHGLV-ZWKOTPCHSA-N 425.574 0.838 30 10 ICEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)C(=O)OC 1472577273 ZKALVRFAQQEWBI-MRXNPFEDSA-N 431.470 0.863 30 10 ICEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1504905140 LTVKZVYCOUQQDG-DOTOQJQBSA-N 445.549 0.858 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508059460 VCGYBHRSAVLZIE-GJZGRUSLSA-N 433.538 0.764 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1539179634 QPQFBXDFZVASPH-OALUTQOASA-N 446.577 0.983 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1540863507 XPFYGLSPYZPWID-ZDUSSCGKSA-N 436.513 0.892 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)C1 1540884636 SGFHVTGAJHLBLX-PGRDOPGGSA-N 449.552 0.960 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1587640169 PLOSNQJYCAAHHY-YOEHRIQHSA-N 433.538 0.410 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ncn(C)n2)c1 1587692639 HKBHDCPUKGYSMO-MRXNPFEDSA-N 433.476 0.462 30 10 ICEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1618171676 HPKBJEKZOKWRCD-SCLBCKFNSA-N 441.456 0.642 30 10 ICEE COC(=O)CCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1632920304 CJCXGXUOYNGWQS-LSDHHAIUSA-N 436.534 0.600 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 1675745467 TXMXHOAHUAFRJM-IBGZPJMESA-N 434.518 0.704 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)C1 1690699708 IJUDBXBAPZGVRH-IKGGRYGDSA-N 441.554 0.571 30 10 ICEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1O 1698442535 BPRLSWXTHOKLLT-QAPCUYQASA-N 448.549 0.875 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705624862 RKROXKNHGXRXTG-FQEVSTJZSA-N 429.502 0.452 30 10 ICEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705776762 OQDIBZRNIDCLEB-VQTJNVASSA-N 440.566 0.882 30 10 ICEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722332640 BUPGCLGLHJCFSU-INIZCTEOSA-N 442.524 0.052 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360288 SMLSDNGRNPHYTR-MRXNPFEDSA-N 431.518 0.999 30 10 ICEE CC(C)(C)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722901959 YTDTXEXZURHNMV-IIUXCQHESA-N 427.509 0.961 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740620158 BVEVKUPAAQPWCD-ZWKOTPCHSA-N 444.561 0.688 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740716320 PQHTWECJTGSMQB-KRWDZBQOSA-N 446.577 0.671 30 10 ICEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740874088 MPLMVWZOJYBESO-INIZCTEOSA-N 449.537 0.835 30 10 ICEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740876620 VPHRRCDSAKHPDH-MRXNPFEDSA-N 444.540 0.605 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1740950839 JQBJHXRZCLOXRC-UHFFFAOYSA-N 427.509 0.751 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740964269 MUDWBQOSSIZLMW-KRWDZBQOSA-N 444.492 0.119 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1740965725 RVVPNZDMBWNHGF-IBGZPJMESA-N 428.484 0.620 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1746516799 GLMBLNIXXQSNFM-UHFFFAOYSA-N 441.536 0.758 30 10 ICEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1747315493 PFEIZHZUPGQAMY-SFHVURJKSA-N 437.504 0.780 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 1748206363 DQYPMMKTBRCUEF-UTKZUKDTSA-N 426.477 0.573 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1748818365 ASEVCBMGXJFJEA-NQIIRXRSSA-N 447.561 0.678 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749032947 VTFGRGYYWLGZFU-HXUWFJFHSA-N 440.533 0.916 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)C1 1749710538 YFLHABMSGODOPF-CYBMUJFWSA-N 438.510 0.336 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1760190842 VAMHGYSQYYPIHN-CVEARBPZSA-N 433.559 0.836 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)C(=O)C1 1760556539 HGNZOBDVPXHJEO-UHFFFAOYSA-N 430.534 0.676 30 10 ICEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1856429000 PVFORVDCUQBKMR-IBGZPJMESA-N 430.530 0.728 30 10 ICEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2248441699 NNUZYBVKNUTQSV-IBGZPJMESA-N 442.343 0.819 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267274012 UOOJOISTWUKKMX-UHFFFAOYSA-N 448.329 0.878 30 10 ICEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267608989 KCWHXVLUJVINJH-UHFFFAOYSA-N 448.329 0.878 30 10 ICEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555243007 CQMZEVGUHFMONG-UHFFFAOYSA-N 435.492 0.922 30 10 ICEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311276 CEJPGCJDCJOPAC-UHFFFAOYSA-N 446.485 0.502 30 10 ICEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 737197538 FUKBXLMUGDKTLM-HNNXBMFYSA-N 435.506 0.594 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 743729014 UWQKVAXFTYAFEC-AWEZNQCLSA-N 448.570 0.510 30 10 ICEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 746780211 ACDHLRHZBZIXGZ-UHFFFAOYSA-N 432.506 0.825 30 10 ICEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c(C)o1 767953160 PKFANYQASGKARK-QGZVFWFLSA-N 443.525 0.661 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 774234316 HAZWQJXMKSCGJG-KSSFIOAISA-N 435.502 0.641 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)n1 797456632 CXTXZQZPUJLNEA-UHFFFAOYSA-N 434.474 0.693 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)c1 1125125689 LFFHBDZXTPVTIF-BYFYWULKSA-N 428.536 0.910 30 10 ICEE CS(=O)(=O)C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1134293552 AABSLUVOJYPNHA-HZPDHXFCSA-N 434.474 0.035 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)NC(=O)NC4=O)C2)C1 1136085547 JAXCGHYXGFXRMH-DMAKZNTKSA-N 431.493 0.974 30 10 ICEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 1192976992 SSUFDOBWMBQTHT-UHFFFAOYSA-N 444.941 0.771 30 10 ICEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286321657 SWGGOUVBYUUUPK-UHFFFAOYSA-N 440.552 0.463 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(C(N)=O)CCOCC1 1300553940 VWFLBQQGHGJNEL-UHFFFAOYSA-N 428.537 0.942 30 10 ICEE COC(=O)[C@]1(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CCOC1 1301070914 HURNUPYUZNGULX-VGSWGCGISA-N 430.480 1.000 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301594570 HBNMRNLNGWYUPX-GOEBONIOSA-N 439.611 0.984 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 1303932990 DNMNCJSIJYBGST-HNAYVOBHSA-N 436.538 0.169 30 10 ICEE CC[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305374152 KKQQQIZRXBQCFQ-MEUCICPISA-N 445.524 0.613 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 1311720021 JQULNKIQVGVOBY-UHFFFAOYSA-N 433.578 0.618 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1358974683 NQORUJPBEZSVJJ-UHFFFAOYSA-N 444.513 0.850 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC=C)CC1 1507736122 DWHSVXUIEHDNFB-UHFFFAOYSA-N 442.545 0.907 30 10 ICEE C#C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1528153998 UIZPSXLDIGGDSW-IAGOWNOFSA-N 433.530 0.931 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1539178891 LRHAWKBFCXEDFU-QFBILLFUSA-N 427.571 0.868 30 10 ICEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1541864761 BWYLPJGJOFGGCM-AEFFLSMTSA-N 439.520 0.761 30 10 ICEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1598295167 GGGGMRNMIHFEMY-QZTJIDSGSA-N 431.541 0.486 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1ccnn1C 1633662980 YZRBRZUVRKNOEG-DTDBQYNISA-N 446.508 0.584 30 10 ICEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1683556202 JZTNCHHCAKIRQU-CQSZACIVSA-N 431.536 0.921 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690124266 IFJYNYRDBAPXRY-LEWJYISDSA-N 429.613 0.953 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1705541665 OSSAXWKPBPNRFO-OAHLLOKOSA-N 433.538 0.238 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1705551145 HPTSOYMCPGIQKK-GOSISDBHSA-N 446.533 0.687 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705564860 DFQGDDLVTXKRHH-INIZCTEOSA-N 439.501 0.814 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1705612833 PWRYNRNROUKEMK-AWEZNQCLSA-N 439.567 0.473 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1705653972 UNQPLRCCMYTGCW-ZDUSSCGKSA-N 436.554 0.642 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1722345744 RPXDWEYJOIDGND-MRXNPFEDSA-N 432.550 0.843 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722362862 WROXMWMBTKEABL-SFHVURJKSA-N 442.549 0.672 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1722368636 SJBRQVTXTKIAMA-JKSUJKDBSA-N 435.550 0.815 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722704872 YNSVIDKCMRWPKY-NRFANRHFSA-N 447.540 0.226 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1729562668 OZOXNVDEAARAGU-QGZVFWFLSA-N 434.522 0.893 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740951828 OROHVXINLAGJQG-INIZCTEOSA-N 435.492 0.404 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748819055 JOXKPUPIBDQHHZ-SFHVURJKSA-N 445.545 0.432 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1749128814 ZYMQMPGJYSXXAP-NVXWUHKLSA-N 433.538 0.798 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCOC)CC1 1749170959 ZWNYCDJGPZYKIZ-CQSZACIVSA-N 428.559 0.443 30 10 ICEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749303034 DFZAYVUZFZMBJQ-HOTGVXAUSA-N 443.595 0.618 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1761467485 ZJEMXFSPBARCKX-VBKZILBWSA-N 445.549 0.875 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNc1ccccn1 1761501648 IZZJDFSMXQSODW-HUUCEWRRSA-N 434.526 0.514 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1772564604 DYKUGRWUXYFALI-MRXNPFEDSA-N 434.522 0.380 30 10 ICEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2cncc(Cl)n2)C1)[C@@H]1CCN(C)C1=O 1857050162 FGHIABCFKZQSMP-HUUCEWRRSA-N 435.912 0.993 30 10 ICEE Cn1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623338 LVOJJSTXGCNMAM-KBPBESRZSA-N 436.318 0.741 30 10 ICEE C=CC[C@](C)(CO)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524909 OYXYNXDPIUUQEV-APWZRJJASA-N 428.507 0.949 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](O)CC(=O)O)cc2Cl)OC1(C)C 2284405994 SFJQZMJDPVMNGQ-QMMMGPOBSA-N 425.721 0.815 30 10 ICEE COc1ccc(C#CCN)cc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2296151490 SXNSVCLTSBSUMV-UHFFFAOYSA-N 427.482 0.721 30 10 ICEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)C=Cc3ccccc3)cc2)O[C@H](CO)[C@H](O)[C@@H]1O 2296747985 HKKSSKGBBKKMNU-BMXMUORJSA-N 427.453 0.905 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 491224445 RKFZRDQPSNUQOH-UHFFFAOYSA-N 445.473 0.715 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C)CC1 507993408 VSFCIJRZWGVURO-UHFFFAOYSA-N 447.565 0.157 30 10 ICEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803643 AWZGUOCUPBABGO-ZDUSSCGKSA-N 429.506 0.928 30 10 ICEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 729332408 WQVCRWYWIBETOX-INIZCTEOSA-N 440.543 0.742 30 10 ICEE COc1ccc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732464919 ABWLXMLQTCYTNG-HNENSFHCSA-N 427.461 0.689 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 734813320 PPYDNDZWFFBTTH-KNQAVFIVSA-N 426.517 0.498 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCC(=O)OC)c2=O)cn1 735068942 MUZFAIYEQMSARU-UHFFFAOYSA-N 443.529 0.251 30 10 ICEE C#CCN(C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 774038248 LRLRUKKAXSGANN-GOSISDBHSA-N 445.545 0.794 30 10 ICEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCCC1 779315597 DJYMBKBSYVVVMF-SFHVURJKSA-N 444.513 0.992 30 10 ICEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2(C#N)CCC2)C1=O 784236106 CIHNVWUXDHIBMC-FQEVSTJZSA-N 428.445 0.876 30 10 ICEE C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(S(N)(=O)=O)cc1 801552546 DVGFBSYXLWOJCB-HZPDHXFCSA-N 442.545 0.989 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1154958636 HRKZNTKKHKOMME-MJGOQNOKSA-N 434.562 0.430 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1286415033 GJTFYITZFAMAHZ-UHFFFAOYSA-N 448.527 0.989 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cnnn2)CC1 1286493640 OSLFZJAJQRAIFR-QGZVFWFLSA-N 427.513 0.215 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286629853 SUTNWRNGGYKKJI-INIZCTEOSA-N 426.949 0.809 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1286791596 XDQUMWWKYTWICI-INIZCTEOSA-N 440.570 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286818593 KLLKSGDYSSESDX-KRWDZBQOSA-N 445.549 0.986 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286964388 AHYGATHZFQONAC-NYHFZMIOSA-N 436.520 0.854 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1300364725 MCNFJWWZUPQNAX-MRXNPFEDSA-N 448.553 0.335 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1300402446 WVJYDSZSLISISJ-OAHLLOKOSA-N 430.910 0.783 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300410478 NLLBDOXMRLEPJG-OAHLLOKOSA-N 433.513 0.849 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300479846 SUGZLWBZDIJXGD-DLBZAZTESA-N 435.550 0.567 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1301578207 ZOHWDJVWGNZGNP-AWEZNQCLSA-N 449.533 0.875 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCOC1 1314702124 SZIOOGBJCZGJLH-RDJZCZTQSA-N 439.476 0.942 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359056908 NRISVCUMSIZNGI-OAHLLOKOSA-N 432.550 0.076 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359303075 CTLNHYXNGPFJAL-MRXNPFEDSA-N 433.534 0.825 30 10 ICEE C#CCN(c1nnc(C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507625394 IMQXALDAOZUCJA-QZTJIDSGSA-N 436.582 0.156 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1507690813 XNWBZJNIBMQXGS-SFHVURJKSA-N 447.565 0.580 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508089414 XFMLCKIEHXAFAL-CABCVRRESA-N 447.540 0.977 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508131085 KIDFYYAJYLVWHP-MRXNPFEDSA-N 438.554 0.220 30 10 ICEE C[C@@H]1COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1512552703 FGZWFOMKMYRMBC-IIDMSEBBSA-N 426.518 0.343 30 10 ICEE CCOCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1548113562 BUPBNGCMEPLVLK-UAMJFUFUSA-N 431.497 0.303 30 10 ICEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1587307672 WKSGUNVAYVKZEP-JKSUJKDBSA-N 428.555 0.905 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)O)CC2)c1C#N 1612469757 FYJVGFSULVFRPL-UHFFFAOYSA-N 441.540 0.525 30 10 ICEE C=CCNC(=O)N[C@@H]1CCN(C(=O)c2cccn2C)[C@@H]1C(=O)N1CCC[C@H]1C(=O)OC 1616127346 WFTBGBVURIOCGP-PVAVHDDUSA-N 431.493 0.257 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CCO1 1620355157 HBDOIOOUHVNRHD-SJORKVTESA-N 438.554 0.021 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 1622886716 QMUCJIWELVLUKP-UHFFFAOYSA-N 431.536 0.554 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1690174672 HYEUKGUYAICBII-HNNXBMFYSA-N 426.564 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1690715575 OIFVUJFMUBGWNQ-KBPBESRZSA-N 449.599 0.493 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1692774014 FMWYDPLXQODMPS-ZSZQSSIHSA-N 438.554 0.966 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)CC1 1705648699 WUGAKLINQDVFNL-MRXNPFEDSA-N 446.533 0.491 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722703128 VUUCUBDVVNZCCH-AOIWGVFYSA-N 448.568 0.997 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1723620111 GLHCHUKUBQWMEG-RDJZCZTQSA-N 428.497 0.546 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740615760 KQORPOYZCPJGBV-RCCFBDPRSA-N 449.577 0.956 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740616075 RQSVQENDXLJWDU-MRXNPFEDSA-N 445.549 0.384 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740624600 KDOSQAVVTYAYBJ-INIZCTEOSA-N 437.566 0.700 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740729804 MLBXMQVISFYLQK-GAJHUEQPSA-N 449.515 0.485 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740758404 XFAZKCUNYJXNDJ-RDJZCZTQSA-N 435.554 0.741 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740787117 AQUFGJZWPBIWEF-WBVHZDCISA-N 437.570 0.658 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741062847 HFUSPFUZQREXEA-GWOGKKTRSA-N 429.481 0.325 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCO)C1 1750211213 GFHMVFMGPSHZKO-WMLDXEAASA-N 430.506 0.216 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189198 SKOKORCTHBQPRS-AEFFLSMTSA-N 449.577 0.858 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NC(C)C)CC1 1760265236 SVJRLBSLSHLOMM-UHFFFAOYSA-N 445.568 0.687 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760270072 IKEROOXJVFRHMX-ZZEZOPTASA-N 425.493 0.333 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760527334 SQTCMTBFSGXZOD-SFHVURJKSA-N 428.541 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760552210 GLPUUQNLNQYDME-OAHLLOKOSA-N 441.579 0.898 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1761501239 FNOAASZBOKEQDQ-UYZZBQRDSA-N 432.572 0.164 30 10 ICEE CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768445571 RDELFFYNENUIBE-UHFFFAOYSA-N 438.492 0.527 30 10 ICEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCN(S(=O)(=O)N4CCCC4)CC3)C2=O)cc1 1857412827 SZPNQAJDMDKLGY-GOSISDBHSA-N 431.518 0.258 30 10 ICEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCN)[nH]s1 2110078230 DSHYDPNRXFFQBG-QGZVFWFLSA-N 437.478 0.036 30 10 ICEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694946 WHHHERUNYWZZLP-INIZCTEOSA-N 430.314 0.764 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2255819245 YFTBCAJIFPHNRE-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267146503 LCTWQPJRDMNNOH-CQSZACIVSA-N 449.361 0.990 30 10 ICEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2267266320 OPMKKXUMBYSPSC-UHFFFAOYSA-N 445.289 0.593 30 10 ICEE COCCN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 470761830 LULHBLKPLHDTBE-KRWDZBQOSA-N 427.461 0.471 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC=C)CC1 508907189 LAEHECYEBHELSV-UHFFFAOYSA-N 448.531 0.802 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C[C@H]1CCCO1 521202368 YJFYJDVCALEDSS-MRXNPFEDSA-N 427.526 0.963 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 728866407 PFXXYEFRSPAOPD-FQEVSTJZSA-N 431.512 0.543 30 10 ICEE CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732707166 WMHVDCZDAOTLIT-FQEVSTJZSA-N 438.532 0.602 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnn(C)n2)cn1 807936938 UEFFHQIJZZJEMV-MRXNPFEDSA-N 447.569 0.621 30 10 ICEE N#C[C@@H](C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1nc2ccccc2s1 917054602 JLYJVWXFPCBPND-INIZCTEOSA-N 427.530 0.949 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(CC)CC 1286296446 OTQMLLHVRFRMCU-IAGOWNOFSA-N 426.587 0.801 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286387886 WBXGVABYHGEALH-JXFKEZNVSA-N 435.550 0.698 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CCO1 1286940570 CCHCCEZVTXDVIW-LJQANCHMSA-N 437.504 0.684 30 10 ICEE C#CCN(c1nnc(COCC)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300505163 YNSUZCAVMSHKDP-KRWDZBQOSA-N 437.566 0.844 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960308 BJEXPSWEJDECQB-MSOLQXFVSA-N 446.577 0.868 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1358962566 SBJDGQDOYCYDJU-CVEARBPZSA-N 448.549 0.551 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)CC1 1359044776 OKIQHPFXZQBLEO-INIZCTEOSA-N 443.552 0.357 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359336680 YOZFRWWFHCCIQO-RBSFLKMASA-N 434.584 0.988 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1Cl 1439795858 LBYYQNSSYRMENM-CKFHNAJUSA-N 432.889 0.961 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ncsc2Br)CC1 1463169549 YIGDNRQRUVKFAC-UHFFFAOYSA-N 435.369 0.493 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C1 1510290102 GGKQCMAHDOZZLV-TXPKVOOTSA-N 438.554 0.778 30 10 ICEE CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513930649 ZYRPIQDYQVMCGL-FMQUCBEESA-N 444.540 0.014 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)CCO1 1554444080 MKKAXTSCGUOEGP-LJQANCHMSA-N 441.536 0.736 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588073713 BVPDGLKOJJBTMQ-MRXNPFEDSA-N 432.550 0.951 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588659750 NNFDTKUNCGSULM-QGZVFWFLSA-N 432.550 0.631 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1)C1CC1 1595058141 BOXKPNTXOKTAFT-VQIMIIECSA-N 441.554 0.571 30 10 ICEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCO[C@@](C)(C#N)C2)c1OC 1617894960 KAEXXOSJNLCDMD-IBGZPJMESA-N 439.490 0.479 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1618847861 HYSCFVUVOISMSP-UHFFFAOYSA-N 432.554 0.718 30 10 ICEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1)c1cc[nH]n1 1641387583 TXHCHNLSTHCDTD-SFHVURJKSA-N 442.520 0.626 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)CC1 1674143715 RAKNQMYQYJJJNR-UHFFFAOYSA-N 430.461 0.591 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1690019841 SLSNSWJQSLBEEU-HUUCEWRRSA-N 443.476 0.108 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1690031313 GQXOVQJXCUZVNF-UHFFFAOYSA-N 428.456 0.931 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)no2)CC1 1690150258 ARXMEURCIXCWFK-UHFFFAOYSA-N 425.493 0.711 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690669479 GKEBLLSXHMCSCS-UHFFFAOYSA-N 449.537 0.488 30 10 ICEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712173711 PNDNONLESZUEBV-HOCLYGCPSA-N 445.503 0.454 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1722435563 KPZYMRAZMSZSBT-UHFFFAOYSA-N 439.545 0.607 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740983010 ZONRVOJPTMAUIB-BRWVUGGUSA-N 425.555 0.845 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1744096982 LCRVPIVAWYYOJL-MRXNPFEDSA-N 429.481 0.661 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748809890 QBJKMRJULXWSGQ-CQSZACIVSA-N 446.924 0.797 30 10 ICEE COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749369101 UVRXYSCCMMMXBF-CABCVRRESA-N 430.506 0.335 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1749669716 MYAPJUDONWFYDC-DLBZAZTESA-N 438.598 0.651 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@@H]1CCS(=O)(=O)C1 1760180627 IIIKCZUNJXEQAQ-KSZLIROESA-N 449.556 0.559 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760273232 MEMVJQKLCJYMNG-FUHWJXTLSA-N 449.577 0.920 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528542 GGLVOEPHOXCUCK-JOCHJYFZSA-N 446.552 0.727 30 10 ICEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760565593 AJWDZTQEXIFDJF-OAHLLOKOSA-N 434.566 0.628 30 10 ICEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CCOCC1 1771231082 FLZWIRPBBZGICX-UHFFFAOYSA-N 440.504 0.965 30 10 ICEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243676315 HZUTVYZSGOCVNN-GFCCVEGCSA-N 427.332 0.944 30 10 ICEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267881562 INAOJUWTUAQKEJ-ZDUSSCGKSA-N 448.329 0.876 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 105264745 UZQXDRWSRZJMIT-LJQANCHMSA-N 434.562 0.676 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 254557046 CUAHDSCRCWWZFP-RISCZKNCSA-N 426.472 0.924 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 514492338 PYCMPFIOJMUKDW-ZFWWWQNUSA-N 433.555 0.804 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccs2)CC1 516789929 JQGXZUSSIIOMBZ-UHFFFAOYSA-N 431.566 0.950 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)c1 538495606 QWAXNLLNFXNISR-UHFFFAOYSA-N 437.481 0.440 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCOC)CC1 555243516 WPNXCJLBMPXXMM-QGZVFWFLSA-N 443.570 0.819 30 10 ICEE CNS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 559278643 FIIQSTWECTVRQK-AWEZNQCLSA-N 430.328 0.212 30 10 ICEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)ccc1C#N 570327885 KGWXGFVTBZNGSA-UHFFFAOYSA-N 432.506 0.825 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCN2CCCS2(=O)=O)cc1 674557035 SUEZNOVLJOEPOI-UHFFFAOYSA-N 430.552 0.992 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 766382209 YXSKGMBTHZNAAM-FQEVSTJZSA-N 426.517 0.929 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NN=Cc2nccn2S(=O)(=O)N(C)C)nc1 814749784 NIANGRBFGPZYJK-UHFFFAOYSA-N 429.528 0.409 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116938285 ODGLNXBHIBNGOZ-FGTMMUONSA-N 437.562 0.084 30 10 ICEE CN1CCC(C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1136630637 VLFOTEKOZVKQGC-PMPSAXMXSA-N 440.566 0.761 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1157221454 HBVPMBJXIAURPV-KDOFPFPSSA-N 433.534 0.036 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 1157928797 SXEQRQFFUNHYST-KRWDZBQOSA-N 429.502 0.366 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C2)c(=O)nc1O 1159490280 OKTVDDCPSWMJNI-UHFFFAOYSA-N 432.234 0.777 30 10 ICEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176709525 IOYXLFYFVVSUEY-QHRIQVFBSA-N 434.474 0.365 30 10 ICEE N#C[C@@H]1CN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CCN1Cc1ccccc1 1248595187 KRHLZFXFQWBALX-OAQYLSRUSA-N 448.527 0.839 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300465347 LVMYKHWQLUPWGZ-SJORKVTESA-N 436.582 0.192 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1300466620 YSFAKIYDPFGOCN-GFCCVEGCSA-N 429.453 0.320 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300971513 BFLJHKDSWCGUGW-OWCLPIDISA-N 440.570 0.538 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1315064981 LIVJECFHXSDNDV-IBGZPJMESA-N 429.506 0.225 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1Cl 1462997860 LBYYQNSSYRMENM-NJSLBKSFSA-N 432.889 0.961 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1503279856 CVUIBEDPDZPPKT-UHFFFAOYSA-N 440.551 0.237 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508127125 WTROWEJMLIETHW-OAGGEKHMSA-N 438.554 0.435 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508146607 ZUQHVTUERHWFGO-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1519528514 DIPLTNCKGJGECE-JKSUJKDBSA-N 436.563 0.941 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539222538 WDVAMZDSBARTDG-OAHLLOKOSA-N 429.568 0.112 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1C(C)(C)C 1540071769 HVQVKJKDKHQOQO-AWEZNQCLSA-N 438.558 0.628 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1554452643 ZNFSAIXIXOWQPI-GOSISDBHSA-N 441.492 0.206 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1588660084 QEOMVUQNUSDQFB-UHFFFAOYSA-N 425.537 0.514 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccs2)CC1 1588732444 AMPMSCMFHTVXAT-UHFFFAOYSA-N 441.561 0.761 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1588806519 UFZUJCYYRATQQO-IBGZPJMESA-N 437.548 0.899 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1613342274 GTEDKIXUPFPMON-GJZGRUSLSA-N 428.584 0.899 30 10 ICEE C=C(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1643543660 YQHCJNCACCNUNG-QGZVFWFLSA-N 441.525 0.882 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 1681226068 BSYMSNMVKBIVGK-IYOUNJFTSA-N 428.511 0.345 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1690677301 UBHOCMHHKNJSTQ-QFIPXVFZSA-N 446.552 0.727 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690733490 GCYUHFNFJORMHV-IHRRRGAJSA-N 428.584 0.522 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705558966 NKPOOFJNWZVHGP-CBGDNZLLSA-N 449.577 0.692 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1705578585 YMXLBVNHXXFLAV-UHFFFAOYSA-N 441.513 0.825 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1712290862 MFLBFEKCPGLNIW-HMWBCQRISA-N 427.465 0.651 30 10 ICEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722354766 YILHDSIMBBQIQM-INIZCTEOSA-N 427.534 0.868 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1722729338 ZARBMPMEJXBWKM-HOTGVXAUSA-N 446.595 0.642 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1729664851 ORGXUTRHMBWSEJ-QGZVFWFLSA-N 445.549 0.718 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1740648595 ISABRFOCPQBXKU-DLBZAZTESA-N 429.550 0.810 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740782824 RXSQDUPIOWALSJ-SJORKVTESA-N 440.570 0.540 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1741946280 ZVVAVGPQVYPMSY-ARFHVFGLSA-N 442.542 0.060 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCO)C1 1750211214 GFHMVFMGPSHZKO-YOEHRIQHSA-N 430.506 0.216 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CCN1C1CC1 1750388702 RHHGQROSTMNIJX-UKRRQHHQSA-N 444.508 0.986 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1760194302 FSJADCQGRLURKL-OFJJUDJNSA-N 447.586 0.888 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)CC1 1760252338 PJBGLPJCJJZXRL-UHFFFAOYSA-N 429.569 0.382 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1760623448 RKXVFHDYCZJBJN-DYEBBVLBSA-N 443.508 0.713 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1Cc1ccc(C#N)o1 1764183101 DQBVNWJLJHZDCO-CQSZACIVSA-N 426.481 0.923 30 10 ICEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1769323238 CQXGUFANUSBHGY-GJZGRUSLSA-N 428.559 0.927 30 10 ICEE CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769574904 CEQQENYTUBFHFE-CHWSQXEVSA-N 432.506 0.750 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2C(=O)NCC#CCN1CCCCC1 1851017335 JNBBUSQJUMSUBR-QGZVFWFLSA-N 439.578 0.874 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 1858301530 VXFWFFSFEDATLI-HNNXBMFYSA-N 438.465 0.734 30 10 ICEE C=CC1(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 1993251771 UAZALZRGZCIVCM-MELADBBJSA-N 427.498 0.619 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2255933109 LCAPCUZAENJDSP-UHFFFAOYSA-N 449.342 0.209 30 10 ICEE C#C[C@H](C)N1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2362112158 JMSXMZHIIPQYDL-WMZOPIPTSA-N 437.518 0.424 30 10 ICEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447278804 OVULLJPCPXPWEW-UHFFFAOYSA-N 438.351 0.843 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508888099 MJKDXLFYTMPRDS-OAHLLOKOSA-N 436.586 0.747 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC3)CC1 616972053 QHLOJILPNZWAPN-UWJYYQICSA-N 435.532 0.521 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1C[C@H]1CCCO1 619537612 IKYNGTFUBPQEEN-CQSZACIVSA-N 433.917 1.000 30 10 ICEE C=CCN1CCC(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 730126151 NGBVHPYXYFMYKF-UHFFFAOYSA-N 437.346 0.861 30 10 ICEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC1 732937987 SYKXNUJUHYSAGW-FUHWJXTLSA-N 433.490 0.947 30 10 ICEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774059476 YJMFSZPCZHAEPJ-CQSZACIVSA-N 429.520 0.600 30 10 ICEE C#CCN(C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 774190263 AAOJXQQSXKEXSG-GDBMZVCRSA-N 427.548 0.830 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)n1 790107935 OYTXJTOFGOVRLA-UHFFFAOYSA-N 432.502 0.500 30 10 ICEE C#CCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)NC(=O)NCc1ccccc1 914866035 DYFJGGSOYCXJJR-UHFFFAOYSA-N 435.484 0.974 30 10 ICEE C=CCOCCCC(=O)N1CCC(=O)NCCN(c2nc(O)c3cnn(C)c3n2)CC1 952879164 GXJAPHYZGRWTOM-UHFFFAOYSA-N 431.497 0.207 30 10 ICEE N#C[C@]12CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)C[C@H]1CS(=O)(=O)C2 1134645957 ZXMYZXDMKZWHKE-KBXCAEBGSA-N 441.506 0.621 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1177167264 OCLRSZRWONVUOD-OHZJNBGDSA-N 441.579 0.876 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)ccc1F 1180243654 IABJBYYDWOLWRE-HIFRSBDPSA-N 429.470 0.469 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286391878 JOSNWZKQURCDEK-ICSRJNTNSA-N 448.637 0.883 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1286396547 WCBBNNYIZZYJPJ-DLBZAZTESA-N 426.539 0.545 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)CC1 1286481235 UCZPYWQNYHEGCV-MOPGFXCFSA-N 434.610 0.667 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286776472 ZJQUJOGUSKYXNZ-JKSUJKDBSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286786614 VNXKVUQFGZAPHV-JKSUJKDBSA-N 431.541 0.664 30 10 ICEE CNS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1299306084 KWYJFILVTOXNHJ-GOSISDBHSA-N 435.510 0.685 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1300487724 MASUCLKNKARPRV-OAHLLOKOSA-N 437.547 0.501 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(=O)(=O)CC)CC1 1300704043 ZYCBZVDMINBTLW-UHFFFAOYSA-N 446.577 0.572 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1315652864 AUSORZPPSAYCQW-CQSZACIVSA-N 436.494 0.144 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359330531 VEJAUDFOODHVID-MRXNPFEDSA-N 445.549 0.981 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)C1=O 1455619522 GGWVYWBQQQYZEL-HXUWFJFHSA-N 436.465 0.202 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1471451227 PZWSPUAFDBDBEL-HNAYVOBHSA-N 444.554 0.013 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1508040522 YHMWJSVQQUIMKZ-QGZVFWFLSA-N 433.534 0.966 30 10 ICEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)Cc1ccon1 1539025111 DOFBEDSEUYFCMI-HNNXBMFYSA-N 446.537 0.705 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539226208 VBIZUIBTTNSELK-SFHVURJKSA-N 439.545 0.981 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)CC1 1539428901 XILSKFNANLQAGE-UHFFFAOYSA-N 434.508 0.474 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539475758 NUDHVPFJLSAEGO-HNNXBMFYSA-N 430.534 0.674 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539517954 ULLLTYOCIMVNJG-GJZGRUSLSA-N 446.620 0.560 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1540871291 IFUOOTQAPCNELN-LBPRGKRZSA-N 444.355 0.971 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](C)(C#N)C3)CC2)cc1OC 1560017590 NSPHFAVCVBSDBU-FQEVSTJZSA-N 436.534 0.772 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588029025 CDJMVXYVARSHFB-UKRRQHHQSA-N 429.568 0.315 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1588055218 UAQPSHWQGKTTKM-INIZCTEOSA-N 443.595 0.502 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC=C)CC1 1588876536 CKNVXLJICKPTAW-ROUUACIJSA-N 437.566 0.358 30 10 ICEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589317710 SZTVMQOSWVTLAY-GFCCVEGCSA-N 435.282 0.902 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595536932 JGFMIZFGOWHEBU-CVEARBPZSA-N 429.525 0.274 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1595805835 VPKRCCQXUPXVLD-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE N#Cc1cn(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c(=O)nc1O 1624868104 GARJPBNEMQVLNL-MRXNPFEDSA-N 443.485 0.204 30 10 ICEE COCCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1625825933 GRVRYSLUUZTUND-UHFFFAOYSA-N 449.533 0.525 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)s1 1628743045 ZVGMNQZKFCDDTE-GTNSWQLSSA-N 426.520 0.249 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c1 1631739176 XOZQSYRREBTPAE-INIZCTEOSA-N 437.518 0.964 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)cc1 1645552348 VOJAEMZHDUQSRM-NRFANRHFSA-N 434.514 0.909 30 10 ICEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1648126063 ZFIPNVGNWPYOEW-UHFFFAOYSA-N 447.492 0.838 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c1 1653539437 DYZIFRZDADKPCY-KRWDZBQOSA-N 429.502 0.496 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1689892682 LDULXINGGSOJTE-CVEARBPZSA-N 438.554 0.081 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689993971 OJKPHYGIFZHUHZ-DLBZAZTESA-N 440.591 0.682 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1690019842 SLSNSWJQSLBEEU-LSDHHAIUSA-N 443.476 0.108 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)CC1 1690143779 BLFXZYSPMCQDCR-UHFFFAOYSA-N 448.593 0.937 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690678025 IOCFUBYKXGIMLG-MRXNPFEDSA-N 440.508 0.252 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1705583468 YTJAZJUOHUPTCX-VGSWGCGISA-N 445.520 0.811 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1705597528 IFSYBIWQBPXEPN-RBUKOAKNSA-N 448.593 0.558 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1705674872 SSPJCADMDPVEPS-YLJYHZDGSA-N 436.582 0.699 30 10 ICEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1710605126 BPAMNLFDGDXVNO-CHWWFWEZSA-N 446.533 0.928 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)C1 1722717989 FSXLWCPPNFMTIX-GVDBMIGSSA-N 441.554 0.429 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1722732520 LOZCDBKAEQNJSF-LSDHHAIUSA-N 430.600 0.328 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748818617 CQGYLIWIHHRQQW-FXAWDEMLSA-N 431.518 0.042 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749735205 PJKZIMUSUKCJCP-MRXNPFEDSA-N 437.566 0.832 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760189801 LXDLAVXGCVPKET-GOSISDBHSA-N 435.594 0.968 30 10 ICEE CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764898778 HOTWJGXEEKEFJU-NXDJFEHLSA-N 443.508 0.195 30 10 ICEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)COC 1854401227 MHFHIFCSIWOYRX-QGZVFWFLSA-N 435.502 0.546 30 10 ICEE C=CC[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 2210482182 MONBORCJOBSNRB-XGUBFFRZSA-N 429.514 0.913 30 10 ICEE CC[C@H](C)O/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1csc(N)n1 642881633 NAVULPYZAPFEPA-WRDZYEIYSA-N 441.535 0.876 30 10 ICEE O=C(CN1CCC(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccccc1 732440933 IDPFFOXCSNSWSQ-QZQOTICOSA-N 440.504 0.915 30 10 ICEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 794630402 FLQUZTRAKPDJHT-UHFFFAOYSA-N 448.570 0.604 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856603380 JDOVAKQISJAYQK-ZWKOTPCHSA-N 441.513 0.869 30 10 ICEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 1116935910 RCUSHSCOQPZNRO-UHFFFAOYSA-N 448.549 0.839 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1S(=O)(=O)NCC#N 1161036648 MJXUOMQHDPLFBV-AWEZNQCLSA-N 426.520 0.656 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 1194096768 MYFAXQWKHAGVTL-UHFFFAOYSA-N 443.881 0.715 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 1213522007 JMSOKHBBBJQPKD-UHFFFAOYSA-N 434.927 0.072 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1 1222444692 VNXLVWVRXQDGPG-KRWDZBQOSA-N 434.497 0.443 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 1254103633 WQEHRQCNBFPJOC-QUCCMNQESA-N 433.578 0.549 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286390181 YHYJEMGTJZSYLY-QZTJIDSGSA-N 448.593 0.732 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300502177 RIFJBBQHUODHRL-JXFKEZNVSA-N 437.566 0.434 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)CC1 1300700281 NXVJHOWGNBFENP-CVEARBPZSA-N 441.648 0.784 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(C)(C)O)CC1 1300711653 GHMLOBANSXVOPC-CQSZACIVSA-N 440.570 0.015 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1300762400 JCXFPXRKNKVDBK-HZPDHXFCSA-N 443.595 0.593 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1300762401 JCXFPXRKNKVDBK-JKSUJKDBSA-N 443.595 0.593 30 10 ICEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1301966972 XRJIITSAIBPODG-LSDHHAIUSA-N 429.543 0.538 30 10 ICEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1313550137 GRFHLSDOLJQUBY-SFHVURJKSA-N 425.493 0.636 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1359010026 DQKQIOHURBMFGN-QGZVFWFLSA-N 434.522 0.522 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1359301017 PFPDIRXIUQKUDB-HNNXBMFYSA-N 440.570 0.540 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC[C@H]3C(=O)NCC(=O)OCC)n[nH]2)c1C 1448458017 XXKJBRIACYNEAI-KRWDZBQOSA-N 444.492 0.596 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 1453382016 MZQFPEQOZCYPLN-ZIAGYGMSSA-N 438.449 0.646 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1508057450 BJWIDVNCKFKCLN-ZDUSSCGKSA-N 437.551 0.691 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1518166457 IDFPTPCDBNTYRY-KKSFZXQISA-N 428.493 0.758 30 10 ICEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1546793301 HVDOQOLASJUZRC-JDTHPWDHSA-N 449.581 0.754 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1COCCO1 1555662731 GJBYNWGEOMIYDR-QRQLOZEOSA-N 434.541 0.984 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1588053516 FJYXRSMIEXPFBJ-FUHWJXTLSA-N 449.577 0.858 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1593746921 PIVANGPNQJNZJS-LPHOPBHVSA-N 426.539 0.769 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2cncn2)C1 1595467306 RFSYXALIOITHSA-INIZCTEOSA-N 429.529 0.932 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1595550896 JJICUAAWHVTGPY-QGZVFWFLSA-N 448.549 0.990 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595844937 KBTPGKZSMVKQRM-SOUVJXGZSA-N 442.611 0.865 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cc1 1624129115 AQTOUOUTDQIHKN-QGZVFWFLSA-N 429.502 0.372 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 1631739177 XOZQSYRREBTPAE-MRXNPFEDSA-N 437.518 0.964 30 10 ICEE CNC(=O)NC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1633118407 LGGKILLCHLWKIB-KRWDZBQOSA-N 449.533 0.115 30 10 ICEE COC(=O)[C@@H]1CN(C)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1638206363 CMSGJBUGFUFOAN-WBVHZDCISA-N 427.461 0.326 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCCS1(=O)=O 1705589730 WDFSJHUGBCDYCO-UHFFFAOYSA-N 434.566 0.695 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CC2)N(C)C)CC1 1705647320 FBRJDWJJGUPJGM-MSOLQXFVSA-N 427.553 0.535 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705899653 BDEBQMVONCAJQY-UHFFFAOYSA-N 440.508 0.217 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCO[C@H]2C)n1 1722430075 WHOZJOLXYAUKTN-NJNPRVFISA-N 444.536 0.805 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)CC1 1722438285 VBOVLHOZXBLRQI-KRWDZBQOSA-N 436.582 0.556 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722724879 ADXRFXRDHDHENZ-UHFFFAOYSA-N 441.517 0.597 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1740640525 PGVUCVHRIKTSBQ-FUHWJXTLSA-N 434.566 0.167 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1740964531 QEMRCSLKCMQFLB-INIZCTEOSA-N 440.504 0.979 30 10 ICEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(C)(=O)=O 1741371467 AJVXSLWWOLMXHC-AWEZNQCLSA-N 433.542 0.327 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749670178 RZOCTOJSPCRKHR-KRWDZBQOSA-N 440.504 0.752 30 10 ICEE Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751926942 UTPFAFBHYYNSBX-HNENSFHCSA-N 442.524 0.841 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1751982552 JMTDCBQGCMMKHT-NZKCYVOASA-N 443.508 0.713 30 10 ICEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1760180666 JACHLPCHNFXNCP-APWZRJJASA-N 426.539 0.592 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760396637 GYQJNEMIUWZDMJ-BEFAXECRSA-N 428.555 0.954 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760519892 STEIWDRMAWYJSP-CQSZACIVSA-N 433.490 0.599 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCONC(=O)OC(C)(C)C 2247881143 SGNAJTPOPNCULU-UHFFFAOYSA-N 446.335 0.454 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255619987 UXFLOSHOZSYZQQ-KGLIPLIRSA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258957542 ANWMCRSCPHQHOA-ARFHVFGLSA-N 438.330 0.859 30 10 ICEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(S(N)(=O)=O)ccc21 44360578 HTENIFLZGCPEGW-WMQDPJMESA-N 444.560 0.388 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 109429394 DWAVJNPDNMXRRV-HNNXBMFYSA-N 449.572 0.311 30 10 ICEE N#Cc1cc(NC[C@@H]2CN3CCN2CC3)cc(NC[C@@H]2CN3CCN2CC3)c1[N+](=O)[O-] 301793396 SCGXUVNWHLBQDX-RTBURBONSA-N 426.525 0.290 30 10 ICEE C[C@@H](C(=O)NC[C@H](O)COc1ccc(I)cc1)n1cnc(C#N)n1 409635107 IYQZQCLGIGZINJ-JQWIXIFHSA-N 441.229 0.871 30 10 ICEE CCOC(=O)C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 540549481 OBIQVKSPWAUEBH-IBGZPJMESA-N 432.496 0.925 30 10 ICEE CNC(=O)C1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 552173725 DHELRLDXXJOGLJ-LEOMRAHMSA-N 425.489 0.591 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 603798514 MPIKEHRCNGSEBF-QGZVFWFLSA-N 443.525 0.363 30 10 ICEE N#C[C@@H]1CN(C(=O)c2ccnc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CCN1C1CC1 746247859 PIPGHOSEDPCVOY-WOJBJXKFSA-N 433.516 0.706 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765146546 VMRGIKZJJFEQDQ-UHFFFAOYSA-N 432.465 0.375 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 782644950 IEXLZQOFUWISMX-UHFFFAOYSA-N 435.278 0.287 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916178322 RCNLBVHDCQPPGC-UHFFFAOYSA-N 449.510 0.839 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)cc1 1251180647 BHFOVFPVRXGGHU-UHFFFAOYSA-N 449.533 0.023 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286388959 DCPFMHSSGHKDGK-DLBZAZTESA-N 432.550 0.621 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1286820159 GFCXKFGESVADSM-RHSMWYFYSA-N 447.517 0.703 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1297520099 MJXAOTKICFJGID-MRXNPFEDSA-N 444.536 0.530 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300494063 XYXJZWZUHZQRCU-ZDUSSCGKSA-N 435.506 0.403 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301138625 AVJSSWJTHMSQKA-RBSFLKMASA-N 443.570 0.851 30 10 ICEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301253176 WCZRPSFDETUVSD-LSDHHAIUSA-N 431.497 0.295 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301578955 KZUMEXDQHWKANY-HNNXBMFYSA-N 433.538 0.831 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCCS1(=O)=O 1316170116 QVMLGUGQWSXPJQ-HNNXBMFYSA-N 426.543 0.778 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359297649 XGUVWPCEBLPXDU-UHFFFAOYSA-N 435.554 0.494 30 10 ICEE C#CCN1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1465276759 GNXPQVZYDOXQSI-UHFFFAOYSA-N 435.546 0.426 30 10 ICEE COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCC[C@H](OC)C1 1469740268 IEGAMVNMOUMAGG-QWQRMKEZSA-N 437.518 0.978 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)s1 1470224882 FJNPAONNUABYMO-LJQANCHMSA-N 443.591 0.487 30 10 ICEE COC[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504568500 TVOJUPPUVZOZIO-KBPBESRZSA-N 446.533 0.998 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1507615800 BHIVRYQXFACMIW-QGZVFWFLSA-N 426.587 0.799 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507628511 WWDLEXAWZACDLI-WMZOPIPTSA-N 438.550 0.976 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507957071 CUECXAOWSVYQLO-MJBXVCDLSA-N 429.499 0.595 30 10 ICEE C#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cn1 1540537433 VWNTYOMZHIBTNC-UHFFFAOYSA-N 441.513 0.441 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOCC1 1540901978 WPNBYJSSRHFSEH-UHFFFAOYSA-N 444.517 0.629 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1634411772 RDQDYWYZESOPRL-HZPDHXFCSA-N 443.570 0.617 30 10 ICEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1647951496 FQCFQYMWLNQTJA-RDTXWAMCSA-N 434.543 0.996 30 10 ICEE CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1669216563 BAKNZTWNKKKTRO-UHFFFAOYSA-N 438.528 0.117 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCCN(c2ccccc2C#N)CC1 1684201578 ICEZIIZKZCAHQY-UHFFFAOYSA-N 427.552 0.837 30 10 ICEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC 1690051014 JRGMIGIUKZDKHI-UHFFFAOYSA-N 425.518 0.529 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(OC)CCOC2)CC1 1705649196 OEODYWYBANRPIS-OAQYLSRUSA-N 427.509 0.450 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1705824981 GGEIMBJSOGUEKB-HNNXBMFYSA-N 440.570 0.588 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1711073707 FAARBTCXLCKBNM-QGZVFWFLSA-N 446.533 0.644 30 10 ICEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1=O 1711280671 ORKOKKNGHHLVHU-NRFANRHFSA-N 426.477 0.813 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722362095 SBNCDYWOEJTDJM-CRAIPNDOSA-N 436.563 0.173 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1740551613 LMDKMOAEVCDQFQ-SJLPKXTDSA-N 444.561 0.918 30 10 ICEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740571479 OYGZOQIOVRNEMY-UHFFFAOYSA-N 428.537 0.857 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1748812382 UUXVCGBCPOLJHM-KRWDZBQOSA-N 429.481 0.888 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1748817230 GVVIABIFLOIIPD-UONOGXRCSA-N 432.955 0.559 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1748859303 RYIFGTNTKJZMPB-IAGOWNOFSA-N 437.591 0.970 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](COC)OC 1749067555 UHIRUJOTNNGVRA-GPMSIDNRSA-N 441.554 0.265 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccccc2)CC1 1760254165 PTJALEKBNGFRSJ-KRWDZBQOSA-N 432.550 0.723 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760258229 RMRURIJMTWEHHW-HXUWFJFHSA-N 438.580 0.971 30 10 ICEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760391809 RVRVJCSLVVITCH-UHFFFAOYSA-N 449.537 0.665 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760521369 QQUKQSYZXBTGKK-ZFWWWQNUSA-N 443.512 0.106 30 10 ICEE CCn1cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652658 XUIOLJDQOWJDNH-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE Cn1ncc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829199 KSRPQJACIHBMEE-ZIAGYGMSSA-N 436.318 0.741 30 10 ICEE C[C@@H](O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO 113741596 FQYBTYFKOHPWQT-VGOFRKELSA-N 437.496 0.903 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 460894958 KEQYCOLYLRNZCL-CVEARBPZSA-N 429.543 0.429 30 10 ICEE CC(C)Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 475190461 KTKZCISQOKIRPM-UHFFFAOYSA-N 444.517 0.882 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4C[C@@H]5CC[C@H](C4)N5C)CC3)CC2)o1 497510623 ZVLVGAVQPMPTJX-YOFSQIOKSA-N 441.580 0.746 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOCC)CC1 555247138 FOGYKSPUTSNNAS-QGZVFWFLSA-N 442.586 0.346 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCO2)CC1 559209705 MIKUGWZFDAQHKX-GOSISDBHSA-N 428.541 0.672 30 10 ICEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)C1 749791880 LJRIRRIWEYGYEY-OAQYLSRUSA-N 447.580 0.629 30 10 ICEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1134274935 DVPZRZNMOFSMDV-SIFCLUCFSA-N 430.486 0.395 30 10 ICEE COc1ccc([C@@H]2[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC(=O)N2C)cc1 1159490676 SYAPBLIKVJCMOY-PKOBYXMFSA-N 437.456 0.822 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)CC1 1286479069 JKZPKLOYVDULLK-MRXNPFEDSA-N 431.541 0.899 30 10 ICEE C[C@@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1288897668 AHFHWNAJKUIIBX-QFBILLFUSA-N 438.554 0.512 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1300572643 YWDUBQQXZIYGNT-NRFANRHFSA-N 442.497 0.686 30 10 ICEE C[C@H](O)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1303889369 CYTQILDXPXDBTR-GRDNDAEWSA-N 434.522 0.719 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 1303932988 DNMNCJSIJYBGST-BEFAXECRSA-N 436.538 0.169 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2COCCO2)cc1 1316529579 GDJJUVOKQDISAG-GOSISDBHSA-N 426.477 0.703 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358966255 KWMRZPPVBZWFOR-IAGOWNOFSA-N 433.534 0.720 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359159534 YDQWNIAXXWBIKD-LSDHHAIUSA-N 446.599 0.326 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359306638 MNYIZELQPKJLOM-MRXNPFEDSA-N 442.524 0.947 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@@H]2C1 1359332246 SWIIPNLIKNQUNE-SJORKVTESA-N 425.555 0.294 30 10 ICEE CCN(CC)C(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1459234331 HIXIVXYVNLGEHS-UHFFFAOYSA-N 427.461 0.303 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1cc[nH]n1 1471565632 UFUAFUHNZWATLE-UHFFFAOYSA-N 428.493 0.762 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1494321356 MYCBLJDEUJMGSN-MQINBFPNSA-N 443.508 0.759 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503714033 DCVKMJHTKDRERA-OZBMMWBBSA-N 445.524 0.517 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507536586 CSWHHNHJRHBYPE-VHFSOBRXSA-N 432.502 0.798 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508090111 LXHVEOAXNHIOAI-KGLIPLIRSA-N 444.458 0.979 30 10 ICEE C#CCC1(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1535308565 DIPMICYFNAKRGA-UHFFFAOYSA-N 436.530 0.947 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1538975008 WFOBOOTVBJCALL-CABCVRRESA-N 448.549 0.785 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1539215788 JEUGNIBFFCDQHB-INIZCTEOSA-N 439.501 0.814 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539216466 SIEZAOIHRQMEHQ-INIZCTEOSA-N 430.534 0.801 30 10 ICEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cn(C2COC2)nn1 1539299915 PRWRBRXYOSWUNY-NRFANRHFSA-N 425.493 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1540906946 HIUMSJBECMORTA-UHFFFAOYSA-N 438.598 0.779 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCN(C(C)=O)CC1 1555729451 UMJKVZOCLQOODZ-NEWSRXKRSA-N 433.557 0.905 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1588029377 HBVNVGYCADZCMW-HNNXBMFYSA-N 428.580 0.803 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588049816 LOHKJXXONJDGEY-JXFKEZNVSA-N 431.518 0.427 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588054932 QFGILEFGJUDTFI-DLBZAZTESA-N 444.561 0.918 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588848967 SPSSAXVDJVOIFF-GOSISDBHSA-N 443.577 0.301 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588924042 URXFAHFVIMKINN-QVKFZJNVSA-N 427.509 0.184 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1595303210 NIUUKKJIDPMRFJ-QGZVFWFLSA-N 433.534 0.966 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595477405 UMDIGWUWSTUKTI-UONOGXRCSA-N 428.559 0.442 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1596640648 AWXNRNSPFFYLOZ-PGRDOPGGSA-N 437.504 0.636 30 10 ICEE Cn1ccn2c(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2c1=O 1598009291 MBBYZWWULQLPTA-ZDUSSCGKSA-N 439.863 0.665 30 10 ICEE C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@@H]12 1616174546 AGQFZMHIHGIFNF-SEBNEYGDSA-N 429.420 0.508 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1620026271 WZJNCGFJXTZIRG-GJZGRUSLSA-N 427.527 0.698 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)o1 1626948455 PZNIUNFWDJKKKM-LJQANCHMSA-N 439.490 0.998 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1712712114 JUNGNCRHIWKIPO-ZDUSSCGKSA-N 440.476 0.815 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1722368086 PEFCYHQKDSAQBX-ZBFHGGJFSA-N 441.579 0.064 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1722640842 SEKDIAWJQYIQON-SJORKVTESA-N 440.570 0.492 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1740648600 ISABRFOCPQBXKU-SJORKVTESA-N 429.550 0.810 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)CC1 1740691007 RWNJCEGWCUUXPW-GOSISDBHSA-N 437.614 0.375 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740792442 INTBTWNYTQNNML-QGZVFWFLSA-N 431.541 0.223 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1740951915 QCQLZYSJNCPFIL-AWEZNQCLSA-N 431.522 0.699 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740994464 OKDSWWQRAFYCAN-HNNXBMFYSA-N 438.554 0.058 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748816453 ZVPQWIFHMLYORF-IAGOWNOFSA-N 449.577 0.941 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCCC)CC1 1749003796 WIOHPMTXZYBFGT-JOCHJYFZSA-N 446.552 0.422 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCNS(C)(=O)=O 1752279894 BDLOJHLRXBPPBT-CQSZACIVSA-N 447.569 0.502 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1760255877 BKTBZYXFQYBKTE-QFIPXVFZSA-N 432.569 0.848 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760382385 PBECLPIYSMMTTR-GJZGRUSLSA-N 431.584 0.870 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1760522137 MJXDCIBCMLGNSF-CABCVRRESA-N 428.559 0.396 30 10 ICEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCOC1 1768997430 JATIPXHSRSSADF-DYVFJYSZSA-N 437.298 0.926 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C[C@H]3C(=O)NCc3ccncc3)CC2)nc1 1851146805 SQIJTJJPXRADHI-UXHICEINSA-N 434.500 0.966 30 10 ICEE CN(C[C@H]1CC(=O)N(C(=O)c2ncc(Cl)cn2)C1)C1CN(c2nccnc2C#N)C1 1856242345 XYUIPRIPBHCLCV-GFCCVEGCSA-N 426.868 0.601 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3c(F)cccc3Cl)C(=O)C2)C1 1856850460 OALPRFGEZAMOAG-GFCCVEGCSA-N 428.873 0.691 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@@H](O)C(=O)O)cc2Cl)OC1(C)C 2284412945 YWVYAVYNUZIIJA-SECBINFHSA-N 425.721 0.815 30 10 ICEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1NCCNC1=O 100020563 NVJREIJMGYSWCD-ROUUACIJSA-N 438.569 0.866 30 10 ICEE C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12 169679590 FYZHXOSWIJYSNR-CTNGQTDRSA-N 428.533 0.519 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 514334225 YZXDBFIXBDRKGS-UHFFFAOYSA-N 441.509 0.905 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 604173647 LDCIYDVWUMVSBH-HXUWFJFHSA-N 428.581 0.827 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 735173214 TXQOFRMYUMIAFQ-ZDHNHOGNSA-N 443.551 0.655 30 10 ICEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785527303 JZDXJLNTPCRHGT-UHFFFAOYSA-N 436.515 0.725 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)C1=O 807731889 CYOFTDMMUMEKSV-NSHDSACASA-N 430.408 0.676 30 10 ICEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 811093325 ZNGUGJGPTBBKGB-DAXOMENPSA-N 449.489 0.425 30 10 ICEE N#Cc1cn(CCC(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)c(=O)nc1O 1141756591 ZUCHPDGOZNJJFA-ZDUSSCGKSA-N 432.234 0.505 30 10 ICEE C#CCN1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1154966037 CBVWQJFELLRQFA-OWSLCNJRSA-N 439.578 0.870 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@](O)(CC#N)C3)CS(=O)(=O)[C@@H]2C1 1163163214 QNXXEPRBDMEYGX-DEXNDLTESA-N 427.523 0.534 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CC2(C=C)CN(C(=O)OC(C)(C)C)C2)CC1 1175523194 RTFYLVZLVFVQAF-UHFFFAOYSA-N 426.539 0.411 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1198372132 JKCMTEQERPYCAW-MSOLQXFVSA-N 448.545 0.893 30 10 ICEE C#CC[C@H](COC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1230736367 BKYXEQUGBSRPJC-QGZVFWFLSA-N 438.550 0.485 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1286296810 RQOFHIGMHBNAOI-OKZBNKHCSA-N 438.598 0.801 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@@H]2C)CC1 1286490871 VROZUZKZJUZLHE-FUHWJXTLSA-N 427.553 0.679 30 10 ICEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1291832822 IZSGPHCXHMOAMQ-FZFLATATSA-N 444.540 0.150 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301459155 SJCFMUFHECCNBN-OAHLLOKOSA-N 449.537 0.423 30 10 ICEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099624 IOYXLFYFVVSUEY-JMERFSKESA-N 434.474 0.365 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1312487464 WRNQSUPMPYHEDL-QGZVFWFLSA-N 429.477 0.526 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1314136434 CWIRMVMDNHNENV-DNVCBOLYSA-N 439.538 0.484 30 10 ICEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1359238161 BEECIHSTMHFOIE-LJQANCHMSA-N 430.490 0.766 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1359300974 NXKMLHNZBGCJGY-OAHLLOKOSA-N 426.543 0.294 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)C2)c(=O)nc1O 1469962802 XQGLSMIOQOEIPS-SFHVURJKSA-N 432.440 0.990 30 10 ICEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1478981353 FYEUSOYSCSUXJM-OAHLLOKOSA-N 429.539 0.892 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507632024 IBYLSNBFSWGWLE-ZWOKBUDYSA-N 438.550 0.952 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)NC 1507761165 JZWXWPLTTSKKTC-MOPGFXCFSA-N 425.555 0.860 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507791039 GYQHXEWBDPWWHT-QRVBRYPASA-N 446.552 0.837 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1539125356 LCYQQLNYJOWDLM-GOSISDBHSA-N 438.598 0.802 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC=CCO2)CC1 1539488054 FNUBGBGFABHLLW-GOSISDBHSA-N 426.521 0.711 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539630358 ZYCULZYYTDIPGQ-PXNSSMCTSA-N 442.568 0.918 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1540861819 HYKFPZPTDLSPOP-UHFFFAOYSA-N 446.533 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1540908043 AYFPGSPZALHZGW-DNVCBOLYSA-N 441.554 0.198 30 10 ICEE N#Cc1cn(CCC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)c(=O)nc1O 1568012900 ATCFRBXGIOSKQZ-OAHLLOKOSA-N 446.261 0.673 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1588198866 AZXFCXNCFGIPHK-UHFFFAOYSA-N 445.950 0.258 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595785374 YOGZUJMWDVYWOR-HNNXBMFYSA-N 439.563 0.954 30 10 ICEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)N1CCO 1627734887 HWWFGVHBZBOPEJ-CALCHBBNSA-N 434.562 0.872 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3(CS(C)(=O)=O)COC3)C2)C1 1627795813 VYOPOTFNWVMKMG-FVRSWCFKSA-N 427.523 0.703 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1635596941 HJNBUOMAPHJPGY-UHFFFAOYSA-N 428.555 0.682 30 10 ICEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)CC#N)CC2)C1=O 1645713367 JTMSMCVXBPHFID-NRFANRHFSA-N 426.477 0.019 30 10 ICEE CNC(=O)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1649676545 PRFPYUXEGLKNSA-LAUBAEHRSA-N 431.541 0.631 30 10 ICEE CN(C)c1ccc(Br)c(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1656066796 CSYSCPSHIVWLSW-UHFFFAOYSA-N 442.295 0.628 30 10 ICEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1659652874 ZXPSQEPTDMPGRD-DLBZAZTESA-N 439.607 0.718 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC1 1665179216 LQBWTHJTVZSOAL-UHFFFAOYSA-N 440.547 0.080 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689988019 HNWKJJILFMLSSJ-CVEARBPZSA-N 437.566 0.919 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1690115380 DAJSSRBPUOQSRU-UHFFFAOYSA-N 433.516 0.821 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@H]2C1 1690672067 GPGZBPSYPDLOEL-OAHLLOKOSA-N 432.475 0.970 30 10 ICEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705516802 JBGIWWKBSJPIEQ-IRXDYDNUSA-N 438.575 0.610 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706024892 YJWBOFDYGODSMH-LSDHHAIUSA-N 432.506 0.798 30 10 ICEE CS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712710280 APFMISOFJPLFBD-DLBZAZTESA-N 437.570 0.636 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722362452 AXOVFAVJTKKZIB-GOEBONIOSA-N 443.595 0.705 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1722690951 NEAHTEJYVKZNPV-NSHDSACASA-N 438.476 0.969 30 10 ICEE CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1727291228 DJUBPQGNHJIEDX-RHSMWYFYSA-N 444.533 0.604 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)CCO1 1731187021 VZRCVOQRHNMQHL-HZPDHXFCSA-N 427.465 0.850 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731188741 IDYJDOQADMEEQS-DJIMGWMZSA-N 441.467 0.441 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1740683999 IBTFDXMXAYXXBZ-UHFFFAOYSA-N 425.537 0.899 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccsc2)CC1 1740695804 DOUJRLHSOLRJCM-OXQOHEQNSA-N 449.602 0.905 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740963662 STIYNLYIZRPSDI-MRXNPFEDSA-N 426.525 0.950 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748811726 KIUVMDRHKUBQOQ-HNNXBMFYSA-N 431.522 0.278 30 10 ICEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1748949566 DREGRCTTWPGEEO-XLIONFOSSA-N 440.566 0.984 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1749670519 UVMKUDDJRODKAM-KBXCAEBGSA-N 425.580 0.816 30 10 ICEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760183324 ARHFRCPDQJXODF-MRXNPFEDSA-N 437.547 0.121 30 10 ICEE Cn1c(=O)c2cc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)ccc2n(C)c1=O 1849042943 NWUACPAULGEZRO-UHFFFAOYSA-N 445.545 0.626 30 10 ICEE CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C1CN(c2nccnc2C#N)C1 1849768766 QDWCZYMFLGYWNS-KRWDZBQOSA-N 444.492 0.988 30 10 ICEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(C)CC2)cc1=O 1870561163 BPMYORRIHJTEII-UHFFFAOYSA-N 444.557 0.498 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNOCc1ccccc1 2247882684 SVIYTGGBPKSXAR-UHFFFAOYSA-N 436.343 0.719 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268705939 HYIPCTFMZHEZNM-NUEKZKHPSA-N 449.313 0.660 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502055848 HFRYIHOLWXSVCV-UHFFFAOYSA-N 427.461 0.037 30 10 ICEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508803119 VROJMIYMLJYVJJ-UHFFFAOYSA-N 433.557 0.363 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)s1 518715308 ZXMNAWROKFPZNA-AWEZNQCLSA-N 447.582 0.978 30 10 ICEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1 580262041 HFVOHFIHVRZWIC-AWEZNQCLSA-N 443.551 0.718 30 10 ICEE N#Cc1cccnc1N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 619510167 WJVDFCBGBYSRIX-RTBURBONSA-N 447.561 0.270 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1C1CC1 732706133 GOXVNNGBHRETCP-KRWDZBQOSA-N 431.518 0.608 30 10 ICEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795446 HULYGVORMRRACD-INIZCTEOSA-N 429.546 0.894 30 10 ICEE C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 737304791 BRXWDLYOFZJELR-HFKSAQAGSA-N 441.488 0.881 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C\c2ccncn2)CC1 754924415 OXBBDMBQCZUPSB-WAYWQWQTSA-N 441.469 0.438 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@H]3CCCO3)c2=O)c1 763433932 GPSVGGDDVWIBRV-MRXNPFEDSA-N 435.509 0.964 30 10 ICEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 914595270 XLOZRIGDGFTBPX-RDJZCZTQSA-N 435.502 0.200 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)CC1 1152967775 PDZVJRMXPBEHHA-INIZCTEOSA-N 448.574 0.580 30 10 ICEE C#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1188839091 WZMANLCQQCISDW-UHFFFAOYSA-N 434.495 0.791 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)OC)CC1 1286486095 IACXAYNVGFTKMX-OAHLLOKOSA-N 425.493 0.926 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1286816366 HUWXGEIXIAGLNU-UHFFFAOYSA-N 435.506 0.847 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1286820189 GTZNJFHFGHNPEK-UHFFFAOYSA-N 427.571 0.938 30 10 ICEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1286894245 BAHHPNQBXZBYMG-SJLPKXTDSA-N 444.517 0.916 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300492970 PWUKBWFZICGWOZ-IKGGRYGDSA-N 436.582 0.586 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 1300496361 QDLPLBRFRCYAFR-GOSISDBHSA-N 435.594 0.968 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358966257 KWMRZPPVBZWFOR-SJORKVTESA-N 433.534 0.720 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1359000046 KRIMNZXAJYGFKV-SJORKVTESA-N 426.587 0.849 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCN(C)C(C)(C)C2)CC1 1359029925 KPIDDNICLURLNG-HXUWFJFHSA-N 447.628 0.783 30 10 ICEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359228005 RGUWVZKOMKFLJT-IBGZPJMESA-N 438.532 0.917 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1360333706 KKTIPYHUYXABER-LJQANCHMSA-N 440.570 0.998 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1454357868 KSIJJGLENXBRDA-SFHVURJKSA-N 435.546 0.844 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1456724331 LIOTYFCWQZTOIV-OYRHEFFESA-N 435.546 0.879 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507751409 NXISJAIOIVFVBY-GOEBONIOSA-N 425.580 0.604 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1508086441 YZOJARLJCQCBBY-UHFFFAOYSA-N 439.567 0.018 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)C1=O 1531172467 FWHBJAYQGGWCNO-UHFFFAOYSA-N 430.314 0.920 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1539210146 BBEBVKUWYWIMRS-INIZCTEOSA-N 430.534 0.437 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539221460 OMPCZYSWBMONCA-IRXDYDNUSA-N 434.566 0.340 30 10 ICEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1554493356 ALAGPYODWPZAEK-UHFFFAOYSA-N 432.435 0.659 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1556636696 JLBNUDATQMPKPU-IBGZPJMESA-N 439.559 0.933 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1 1563796261 PRBRCIKGZJMTDY-UHFFFAOYSA-N 436.534 0.530 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588065011 RDQWHSBICLLVAK-KRWDZBQOSA-N 435.550 0.106 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588929414 AATQJFDZBODMGI-IPMKNSEASA-N 431.537 0.799 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595537230 OCLFXMPYDNJSDK-OAHLLOKOSA-N 433.513 0.446 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1597371203 AHZDVUYNWWURSO-LRDDRELGSA-N 429.545 0.152 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1619623360 XLVQAMNDSJHNSE-XJKCOSOUSA-N 434.469 0.037 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)s1 1624133893 WXBNZPAGGGGLNO-AWEZNQCLSA-N 429.564 0.851 30 10 ICEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1635159754 CIPSQXRPIYCKMY-UHFFFAOYSA-N 432.546 0.367 30 10 ICEE N#C[C@]12CN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)C[C@H]1CS(=O)(=O)C2 1636512906 VQLRVPDJTFOKNS-RIFZZMRRSA-N 433.534 0.414 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)c1 1652151206 HDVKWAYXKAKYQZ-UHFFFAOYSA-N 444.391 0.353 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)n1 1674235623 BBMAQEMYDNXLPB-UHFFFAOYSA-N 431.474 0.923 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 1677141160 TYJDELMZCGJOQT-QGZVFWFLSA-N 427.958 0.738 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689979533 CSJLGQFBRSQGBT-GJZGRUSLSA-N 443.595 0.705 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1689988283 LXSYHZUJSIWRRT-HNNXBMFYSA-N 445.505 0.204 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1690093857 MFIMIAOHFSVERS-HNNXBMFYSA-N 431.522 0.670 30 10 ICEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1690122072 DZINYOOFDQWQEP-UHFFFAOYSA-N 448.531 0.518 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1690175117 QCQMGWBWWZEVHV-MRXNPFEDSA-N 449.606 0.607 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690665952 UXQHQNNZDWWHPP-GOSISDBHSA-N 428.493 0.597 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C1 1690710895 YMZUBFCIUMXFGT-QGZVFWFLSA-N 445.549 0.847 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705904973 FAGMOPZITBSLPN-MRXNPFEDSA-N 433.534 0.803 30 10 ICEE CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1710724788 QECYGEWBJHFFQH-UHFFFAOYSA-N 427.465 0.255 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722358212 FBLRZZMAVKBYQF-AWEZNQCLSA-N 432.506 0.323 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365284 DMNILUXQPPXFBS-QZTJIDSGSA-N 449.577 0.811 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722368221 PTOFNWYQZMHVEK-AEFFLSMTSA-N 432.550 0.775 30 10 ICEE C#CCN(c1nnc(COCC)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722370255 MMWPCLDPGODHQR-LYGPFTKASA-N 426.539 0.371 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1722384833 YFISUJSXDAHGPF-KRWDZBQOSA-N 435.513 0.882 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CO)c2)CC1 1722447840 NLAFUBBYMAWJDD-IBGZPJMESA-N 436.516 0.736 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1728815796 GNNVRSZUJGHGFN-APWZRJJASA-N 439.538 0.484 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1740616212 WDWYWTBZCSSNCZ-AWEZNQCLSA-N 434.547 0.646 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1740619480 PDPAMLHLMGUFDQ-QRWLVFNGSA-N 431.518 0.952 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1740624933 LFHXKHRQDSRULV-GOSISDBHSA-N 439.545 0.981 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1748719396 WWHXSLWVCUTEPJ-DLBZAZTESA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748811381 FRFLEXSMVOVIFY-MRXNPFEDSA-N 432.550 0.827 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1749680782 QWWIEJOMUCNAJH-HNNXBMFYSA-N 428.493 0.835 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1760219687 KXDDLZZSFSGVDO-QGZVFWFLSA-N 448.574 0.887 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1760280503 GBMUUWRGPRPVHM-HOTGVXAUSA-N 425.580 0.652 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1760510152 IBJIJDYZFKNOPA-OAHLLOKOSA-N 427.527 0.183 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1760514571 KFJNZXKXPVBMGV-UHFFFAOYSA-N 430.488 0.579 30 10 ICEE CN(Cc1ccccc1)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1767097226 BJHQUZQHSQVVKB-SFHVURJKSA-N 437.504 0.901 30 10 ICEE CNC(=O)CCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1769308421 QEIOYFXCRMGMHR-RMYFCYLKSA-N 431.497 0.271 30 10 ICEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1770360743 QGNFPLYAUQLEML-UHFFFAOYSA-N 429.506 0.177 30 10 ICEE C=CCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C(=O)[C@@H]1C 1854273248 LHCKWRYESACCQE-QWHCGFSZSA-N 428.415 0.863 30 10 ICEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1CCOc1ccc(C#N)cc1 1855880287 WODSJTBQCAUNAR-QAPCUYQASA-N 434.518 0.420 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1nc(C#CCN)[nH]s1 2110066404 XLFMAIFJNZUJQB-UHFFFAOYSA-N 433.515 0.334 30 10 ICEE C[C@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO 96910093 FQYBTYFKOHPWQT-JTSKRJEESA-N 437.496 0.903 30 10 ICEE N#Cc1ccc([C@@H]2N[C@](CO)(C(=O)O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 247636680 DYFVNSILHKNNTJ-IAGYGMIVSA-N 436.380 0.732 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 549911322 VRIKFRBBTJRGOA-PMACEKPBSA-N 434.562 0.974 30 10 ICEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 570945250 REXNVTPZJBKWFF-UHFFFAOYSA-N 433.538 0.615 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@H]1CCCO1 603799046 RSDLBSFCLZPGFX-GOSISDBHSA-N 441.553 0.971 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 609040663 CVXUTGCOKIPDIB-UHFFFAOYSA-N 427.530 0.905 30 10 ICEE CN(C(=O)CSCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C1CCCCC1 732908429 KZBOKVDDFJCJOW-OAHLLOKOSA-N 429.564 0.477 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O 743725360 QOUBSGWKCHUAQF-UHFFFAOYSA-N 447.586 0.035 30 10 ICEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 743728980 UFAUGPUEVBRHGI-CQSZACIVSA-N 430.555 0.979 30 10 ICEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 771264274 BUDFEFXYJWYGQD-ZHRRBRCNSA-N 425.489 0.969 30 10 ICEE Cc1cc(S(=O)(=O)NCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(C)s1 772726304 GWMINONKHTYULH-MSUUIHNZSA-N 426.520 0.676 30 10 ICEE COCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 778612065 SVXGQNPPLXOMGD-SFHVURJKSA-N 425.489 0.749 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CCN1CCOCC1 782922707 LLIMERRRKFNPPP-UHFFFAOYSA-N 442.928 0.857 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n1 790105086 CQTONZNZXBAXMN-UHFFFAOYSA-N 441.473 0.216 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCN1CCOCC1 790354809 HKFKCVIRWNPMSB-UHFFFAOYSA-N 432.509 0.454 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799740948 GQRMNCQCABGKBH-MSUUIHNZSA-N 444.872 0.790 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 807547359 CZIDATAHRQKNDU-HNNXBMFYSA-N 447.966 0.759 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCC(C(=O)OC)CC3)cc2C1=O 919669486 NPOHYFSSQGITQW-UHFFFAOYSA-N 435.458 0.328 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3ccccc3S(=O)(=O)N3CCCCC3)C2)c(=O)nc1O 1159491255 WMHAYKUMCQNBKV-UHFFFAOYSA-N 443.485 0.692 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4cnc(N)nc4C3)CC2)cc1 1166949640 FJVYLJGRKYSYJI-UHFFFAOYSA-N 426.502 0.916 30 10 ICEE C#CCNC(=O)C1CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1169699190 XFFRVEZIYQFNBJ-IBGZPJMESA-N 440.500 0.860 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1286380012 FZJQGRWJVHMTEB-INIZCTEOSA-N 445.549 0.231 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1286408324 BYTHRHNTSSAGFV-GOSISDBHSA-N 448.593 0.558 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1286792895 KXDVTBTZNLWDKA-KSFYIVLOSA-N 446.552 0.727 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300733076 RNWQACWQEBLYNW-UHFFFAOYSA-N 442.549 0.467 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CC1 1300780513 RUMJPSYVAJXFEQ-XJKSGUPXSA-N 429.568 0.458 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 1310343100 UTXVSZMICJCKIU-UHFFFAOYSA-N 449.942 0.329 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1 1310672891 SZARLIJCOYVDBA-UHFFFAOYSA-N 438.460 0.982 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1358966578 ROYLWNVNFWEDES-INIZCTEOSA-N 437.566 0.842 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC)CC1 1507739638 SHBDTIVNTVFXRD-KRWDZBQOSA-N 437.566 0.573 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1)C1CC1 1507993062 NPBUKCQOWONJDB-IRXDYDNUSA-N 441.554 0.571 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1521109452 BDCXZSHDRBEDMK-UHFFFAOYSA-N 437.382 0.343 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1539246638 OLRQDAWYCNPEKH-UHFFFAOYSA-N 449.496 0.997 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1539369278 INGYANJDEWTEBK-QGZVFWFLSA-N 435.554 0.469 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1OC 1588560076 MFBOUHPHAJELTD-UHFFFAOYSA-N 429.525 0.953 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1588751880 ORLTWMHRBRSFDO-OFNKIYASSA-N 446.596 0.795 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC 1594732447 DDCCBXPGADHQBE-GJZGRUSLSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1595551955 YQLFGQKMKSZFCY-INIZCTEOSA-N 425.555 0.735 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1 1611710870 GTDGUTHQEHQSAN-JKSUJKDBSA-N 425.559 0.493 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1=O 1619938615 BOLYJCYYSKWFAR-SFHVURJKSA-N 428.493 0.773 30 10 ICEE Cn1nnc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C(F)(F)F 1625121104 FSPUCDXIXHANMM-UHFFFAOYSA-N 428.396 0.852 30 10 ICEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)CC(=O)OC(C)(C)C 1647117196 PMTCGGAATFAAFO-JOCHJYFZSA-N 444.488 0.770 30 10 ICEE CCOC(=O)Cn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1671316555 ABIILAJFGCKCPL-UHFFFAOYSA-N 446.489 0.856 30 10 ICEE C#CC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1677882556 XLQMNMQBIQWDLR-OAHLLOKOSA-N 425.507 0.540 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 1687593489 RGUDEBXHYXJTDT-KRWDZBQOSA-N 445.545 0.295 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690670825 JWQXPMAJODAAQW-INIZCTEOSA-N 442.524 0.947 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705515361 BVEBCLYIJNJVLQ-QGZVFWFLSA-N 441.536 0.304 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705561804 WNCPVEWDTMMPGB-KGLIPLIRSA-N 429.568 0.315 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1 1705588438 FLYPCCZAWSCUDO-OAHLLOKOSA-N 428.518 0.498 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)N(C)C)CC1 1705639388 MXMXKSZTJKYAGG-ZWKOTPCHSA-N 446.577 0.831 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1705907130 AVESDIFYSZTAFH-UHFFFAOYSA-N 445.549 0.677 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722448766 HJEOGUKHVPWFFC-VQTJNVASSA-N 438.532 0.770 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722703352 ZXLJAHJZWBAMDR-HNNXBMFYSA-N 433.513 0.418 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)C1 1724009269 DGNZWQCGBHDATC-WMLDXEAASA-N 429.568 0.745 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC=CCO2)C1 1731012101 BVSTWJNYVVQDHT-IAGOWNOFSA-N 436.538 0.696 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1740950726 FJQDPBXIVYYBKC-UHFFFAOYSA-N 433.557 0.267 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1748671949 OOKMYPWONVHYJY-DZGCQCFKSA-N 437.526 0.393 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1760154365 DCHBCIDLMJZVDA-KRWDZBQOSA-N 437.566 0.573 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1760170677 MJUUNFWFYQKLBS-UHFFFAOYSA-N 443.533 0.684 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1760357461 JNURMEHCPDAVOO-IAGOWNOFSA-N 425.555 0.294 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1761551280 KTVFJIGNFPKQOQ-MRXNPFEDSA-N 428.518 0.966 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCCS1(=O)=O 1770177197 IBGDASAXJHLAPG-PMPSAXMXSA-N 426.543 0.633 30 10 ICEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889443462 XOBMEYABHILGCY-UHFFFAOYSA-N 441.532 0.707 30 10 ICEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23CCCC2=C2C(=O)CC[C@@]21[C@H](C(=O)OC)[C@H]3C(=O)OC 1933242751 SVIQUYNSDHRIFR-CFMRCLHHSA-N 434.441 0.987 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCONC(=O)OC(C)(C)C)n1 2247904085 LZSNBCCBFNINPA-UHFFFAOYSA-N 446.335 0.454 30 10 ICEE C#CCN(C)CCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270496028 IXLOPKVAZNOIKZ-KRWDZBQOSA-N 425.507 0.329 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cc1 488275351 WPUWHOYQQAXEJB-PMACEKPBSA-N 439.516 0.940 30 10 ICEE N#Cc1cccc(S(=O)(=O)CCn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c1 513785344 KSPMFWKGANKOAA-UHFFFAOYSA-N 436.453 0.857 30 10 ICEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 776063046 NLPFLKMNDXPSMC-CYBMUJFWSA-N 428.536 0.813 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856611760 OHQBESDIGBHNCZ-FHLIZLRMSA-N 441.513 0.602 30 10 ICEE O=C(CCCc1ccccc1)NCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1129958297 XMGFKKSOYWNVLQ-UHFFFAOYSA-N 428.514 0.980 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1131775030 OFTQJQLXSCUVFE-HNNXBMFYSA-N 429.520 0.154 30 10 ICEE CCCN(C(=O)CN1CCO[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1198210153 GCVNXVNPEOQLCW-JOCHJYFZSA-N 440.504 0.937 30 10 ICEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)C2)c(=O)nc1O 1227923752 SRPIYSFNOSDEBT-GFCCVEGCSA-N 442.398 0.720 30 10 ICEE N#C[C@]12CN(C(=O)N[C@H]3CCc4ncc(Br)n4C3)C[C@H]1CS(=O)(=O)C2 1256426831 CLPLZTRMNNZTSO-ZIBATOQPSA-N 428.312 0.540 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1286297404 WJQIEKTUOJHYFD-CABCVRRESA-N 438.554 0.115 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286389605 NECGUCKBBOHOBZ-LJQANCHMSA-N 434.610 0.810 30 10 ICEE C#CCN(c1nnc(COCC)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286397573 STOCQQHNVQNPMN-MRXNPFEDSA-N 426.539 0.373 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286397953 VNYPKVRLGQQJHY-ROUUACIJSA-N 449.577 0.986 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)CC1 1286472274 RNSVDEFPDFXYGH-OHZJNBGDSA-N 444.627 0.191 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1286514882 REPWIHWZLJXCNT-XXJLXKPQSA-N 425.493 0.935 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286818835 PVNDEHGJRSQMLF-SFHVURJKSA-N 433.494 0.367 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300972515 MLSMTEMYSXLUJJ-HUUCEWRRSA-N 441.558 0.037 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCOC1 1301567850 MDPUXKQCRKYOJS-MRXNPFEDSA-N 425.555 0.978 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)cc1 1313340363 CYVGZUZBBFTVMC-IBGZPJMESA-N 447.561 0.827 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358960642 IUHHWIZAXHWOID-LLGFUMIMSA-N 445.545 0.815 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1359240348 LTWASEGSGRYFEX-SJORKVTESA-N 426.587 0.965 30 10 ICEE COC(=O)CCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1438599915 DGZYKWNKRFQRSE-UHFFFAOYSA-N 435.506 0.671 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507750430 VBNIZNMKCJVORF-GOSISDBHSA-N 440.577 0.844 30 10 ICEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1508010529 XCAOUSRRUSJEPQ-LSDHHAIUSA-N 431.584 0.892 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508089073 VJVNMIWLIOZRRJ-INIZCTEOSA-N 447.540 0.836 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508089590 YOFRGVBIROSJDS-ZIAGYGMSSA-N 433.513 0.635 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097330 HYKXBGVDURCJFI-GEEKYZPCSA-N 448.524 0.913 30 10 ICEE CCS(=O)(=O)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1528980574 PGPCHWPZBULGHE-UHFFFAOYSA-N 427.548 0.900 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539220817 LYXXMMQTSSDALP-HZPDHXFCSA-N 437.566 0.571 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539714623 QMABYYSCENVSAJ-UHFFFAOYSA-N 430.513 0.828 30 10 ICEE CO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555780746 ZIEJAEGQWGBUHD-HFUDNHEJSA-N 429.481 0.266 30 10 ICEE C#CC[C@@]1(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1584502036 CZLPCGYFTRLCHE-NRFANRHFSA-N 428.493 0.880 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1585000309 WRMQINYCWSYACF-UHFFFAOYSA-N 430.549 0.921 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588029743 LLOCTNQDHYZSOD-HZPDHXFCSA-N 443.595 0.454 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCN(C)C2)CC1 1588955514 ZMTVGXNOJBGLES-HSZRJFAPSA-N 437.548 0.296 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1593746548 IDQIMWDNOBCOCE-DLBZAZTESA-N 437.566 0.974 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1595466438 JBWRAJSWEKFKSE-UHFFFAOYSA-N 426.481 0.333 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595466819 NEENZOHSMPCSDG-OAHLLOKOSA-N 428.497 0.892 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595537159 MRTZUSRWQHBSPL-JKSUJKDBSA-N 439.524 0.427 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1CCN/C(O)=C1/N=CC=CC1=O 1608211410 CJTIXVDEMYJHAY-PERWBAPNSA-N 433.538 0.884 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1632508339 BBCOAXUIJNVYDM-QGZVFWFLSA-N 428.514 0.608 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC)CNS(C)(=O)=O 1636940590 GBYUBMIEGGFOKR-ZFWWWQNUSA-N 444.579 0.728 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(CN3CCCC3=O)c2)CC1 1678584600 XKRFVLGSOOLOIL-UHFFFAOYSA-N 433.534 0.104 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1696084472 BKNNAVYMMLRQNE-TXPKVOOTSA-N 439.538 0.484 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565325 GVBBEKOTNZQPSY-IAGOWNOFSA-N 443.529 0.913 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1705674782 QWOLDHIGVUPMIR-VQIMIIECSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1705902374 CZDKWSMGZUCBKL-KRWDZBQOSA-N 447.565 0.596 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1722369990 JVLIZKYIUURPQJ-ULQDDVLXSA-N 438.550 0.665 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)CC1 1722438114 TVFKZYDZAWFFHF-MRXNPFEDSA-N 446.581 0.330 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCO2)CC1 1722450025 UMSNKICQUMGQRO-SFHVURJKSA-N 428.537 0.935 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1722451512 KGBDRZNWBVNCSR-UONOGXRCSA-N 428.584 0.217 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1722588042 IMXUIJKJWMYTOZ-LSDHHAIUSA-N 442.586 0.913 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1722727752 LAJLLJKEJXBGKD-KGLIPLIRSA-N 434.609 0.723 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1740610983 QAQIJSOIHMQYHO-ZWKOTPCHSA-N 436.582 0.697 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1740731888 KRGCDMULRDGEPM-FXAWDEMLSA-N 447.565 0.693 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740950621 ARXPHYYYOGAXDW-UHFFFAOYSA-N 429.525 0.265 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740995863 ZYAHPXQNNSPQII-LSDHHAIUSA-N 432.568 0.744 30 10 ICEE CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1747417214 DRCOEXQUNUDTLT-PBHICJAKSA-N 429.568 0.745 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1748929857 RBKOIQVPJODVQL-IRXDYDNUSA-N 426.587 0.801 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOCC2)CC1 1749010782 XFTFWSDABBRPDK-FQEVSTJZSA-N 444.580 0.860 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749650305 ROKQXNHTWDCEKX-KRWDZBQOSA-N 443.552 0.559 30 10 ICEE CS(=O)(=O)CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1750202051 UHXSBVWLGDRLJR-UHFFFAOYSA-N 446.533 0.880 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1750378804 MUFVWBMKIAFBON-DNVCBOLYSA-N 438.529 0.929 30 10 ICEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1750997921 DIPWMXOKHOYROZ-UHFFFAOYSA-N 448.535 0.640 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1752328203 TUMPETPPRDNDIW-AOMYARPXSA-N 438.492 0.477 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760446986 HJRCSDATSYMUQC-LSDHHAIUSA-N 428.559 0.538 30 10 ICEE CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764826707 KEKNTUUJUMRPQD-UAFUQJIBSA-N 442.568 0.583 30 10 ICEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1770342769 DUEKCKWMPLVFMZ-QZTJIDSGSA-N 441.517 0.970 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2337203608 AAQJLIHLYZLUSQ-GOSISDBHSA-N 439.369 0.923 30 10 ICEE CC1(C)OB(c2cnc(OCCCC3CCN(C(=O)[C@H](O)CO)CC3)nc2)OC1(C)C 204889095 YDSOHRNMQGAITG-QGZVFWFLSA-N 435.330 0.527 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c1 466936174 OGCCQAYLWQTLLB-CYBMUJFWSA-N 434.478 0.261 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 508498210 QICFTOKBLJCYCM-OAHLLOKOSA-N 426.543 0.102 30 10 ICEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 615949916 ATGFEGXEMXIYCP-ZDUSSCGKSA-N 431.522 0.840 30 10 ICEE CN(C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 732795771 XFXMOYOTRCNDBP-GOSISDBHSA-N 449.536 0.988 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 733149511 IFFNAEDCBVWVPO-UHFFFAOYSA-N 449.559 0.461 30 10 ICEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774194941 AYUOTMMBUNZITM-GOSISDBHSA-N 441.575 0.846 30 10 ICEE C#CCN(CC(=O)Nc1cccc(C(=O)NC)c1)CC(=O)Nc1cccc(C(=O)NC)c1 914867572 XWYNJDVMSGZMOX-UHFFFAOYSA-N 435.484 0.918 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN3CCN(C)CC3)CC(=O)OC)n[nH]2)c1C 1155754506 JHLSKCPUEWIDAI-UHFFFAOYSA-N 443.552 0.939 30 10 ICEE Cc1ccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)cc1S(=O)(=O)NCC#N 1157212712 ROUUYMOYSVFKMH-QGZVFWFLSA-N 433.534 0.222 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)c1=O 1165302808 DLUNQVHPYLQVKP-UHFFFAOYSA-N 444.410 0.494 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286366762 CUOJZGZADBPAFK-HXUWFJFHSA-N 434.518 0.971 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286388961 DCPFMHSSGHKDGK-IRXDYDNUSA-N 432.550 0.621 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286779204 FWKYXVZFRDBILO-KSSFIOAISA-N 440.504 0.979 30 10 ICEE COC(=O)[C@@]1(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CCOC1 1301070911 HURNUPYUZNGULX-VGOFRKELSA-N 430.480 1.000 30 10 ICEE C=CCC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1471822446 HKRXEFGMCHOZAE-GQPJMJRUSA-N 442.559 0.529 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c1 1472120210 BSJFZFXWSIZUIC-HNNXBMFYSA-N 430.486 0.292 30 10 ICEE Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511896487 ANTKNYNXOMWCHZ-OZNQOIHVSA-N 442.524 0.695 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1524854850 YGQCAYLGTIYDGZ-DOTOQJQBSA-N 443.547 0.561 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1539517082 IGILWRVBEJZKBR-INIZCTEOSA-N 439.607 0.995 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1540871636 QBIBRZWTALOCAP-GJZGRUSLSA-N 426.543 0.150 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C1 1540882547 KHVCLNPFNFKHHP-ZRBXUZRCSA-N 431.584 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1540904594 NVNXXKFQRYOJPE-CQSZACIVSA-N 432.568 0.396 30 10 ICEE COC(=O)C1(C#N)CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 1559840417 GZNZAMKQFLYFBT-NRFANRHFSA-N 441.488 0.740 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cc[nH]n2)CC1 1588864749 JQFCLIKWADDCIX-UHFFFAOYSA-N 436.524 0.048 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1595723057 QNIUKBZBPUKHFV-IAGOWNOFSA-N 425.555 0.989 30 10 ICEE COC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1597372033 LAKHSEYQIBQAGO-KYNGSXCRSA-N 427.523 0.657 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CCO1 1620354911 DSEHAVJHPXQRAF-ARFHVFGLSA-N 425.511 0.105 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)CC1 1620553542 NXINGHDHRPFCRC-QGZVFWFLSA-N 448.568 0.100 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1635993219 JKEVUXZAGMNJPN-FRIYVGAWSA-N 443.548 0.667 30 10 ICEE C#CCN(C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1682263488 PXSWNQIYKRJANU-CVEARBPZSA-N 439.509 0.571 30 10 ICEE Cn1ncc(I)c1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1683631320 PZEXZPFAHCMNLQ-ZANVPECISA-N 449.274 0.104 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)C[C@H]1CS(=O)(=O)C2 1687854349 CLPLZTRMNNZTSO-RWSFTLGLSA-N 428.312 0.540 30 10 ICEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689910697 NZZIONAHMXDNHI-INIZCTEOSA-N 426.502 0.966 30 10 ICEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)NC(C)C 1690052120 BBBYTPRXONJLIX-UHFFFAOYSA-N 431.566 0.930 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690715026 BDTXIHQEIHSMFV-INIZCTEOSA-N 425.555 0.830 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1705551163 IEQRRUKSGDRCKP-CRAIPNDOSA-N 431.518 0.857 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCC(F)(F)F 1706890007 KINSPDIBUGSTOH-QWRGUYRKSA-N 442.489 0.913 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722369438 ZFEZPVBOUMVUDU-BZSNNMDCSA-N 438.550 0.952 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1722382924 DOQXLAVNPOPMLN-GOSISDBHSA-N 443.533 0.025 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740627938 UDRRKWGOZNYZFR-CVEARBPZSA-N 435.550 0.454 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1 1740767815 ZSOLWFBSWOCWBK-AWEZNQCLSA-N 428.559 0.573 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1747441076 BFBWCJPSSMUXHB-FQEVSTJZSA-N 443.533 0.472 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1748639331 FUPJVXZUNPDUSN-HOTGVXAUSA-N 447.565 0.626 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N(C)C 1748790208 GDBSTJKYLPKZKF-RDJZCZTQSA-N 436.538 0.576 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749039432 UFSMFSVBHQQFKA-CABCVRRESA-N 446.620 0.560 30 10 ICEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749372156 FWKNVKKRGGGJAA-HNNXBMFYSA-N 429.456 0.920 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1749734407 ITEAKOAUQYEMJB-INIZCTEOSA-N 435.554 0.443 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749735829 AVSXCBGXUMZYDW-QGZVFWFLSA-N 432.550 0.827 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1760184811 ZDDWXZCKBCCMPQ-INIZCTEOSA-N 431.518 0.797 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1760225732 XGFXAKULIZJOGR-DLBZAZTESA-N 426.587 0.705 30 10 ICEE CC(C)S(=O)(=O)N1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1854569082 IEANBXJFMHPTNE-IBGZPJMESA-N 432.546 0.974 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@H](F)CC3CC4(CCC4)C3)C(=O)C2)C1 1856842051 HUKGNVHKJQCZTR-IAGOWNOFSA-N 440.541 0.893 30 10 ICEE N#Cc1cccc(N=c2nc(N3CCC(C(N)=O)CC3)[nH]c(N3CCC(C(N)=O)CC3)n2)c1 1871731723 YLFSKSOSHHBKGC-UHFFFAOYSA-N 449.519 0.312 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255621862 RSKLBTXOLSBEHW-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267166601 UWXYNXQFPAMGND-OAQYLSRUSA-N 448.329 0.878 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 460813022 ZAOMGAMLIUZBKL-ZNMIVQPWSA-N 449.599 0.445 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(OC)cc(C)n2)c1=O 554150884 XMPSLXPRYIZSHS-UHFFFAOYSA-N 442.541 0.854 30 10 ICEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 684100751 KLZLDEIPNKDCNE-UHFFFAOYSA-N 447.520 0.843 30 10 ICEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)CC3CCCC3)CC2)c1=O 731350533 FEJROSZBUDONHK-UHFFFAOYSA-N 431.537 0.662 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)CN2C[C@@H](O)C[C@@H](O)C2)c(C(=O)OCC)c1C 752095965 WIABDZXCIDKJMJ-BETUJISGSA-N 426.491 0.942 30 10 ICEE C#CCN(CC#C)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 752151779 JJBKJBHLBXEYNA-UHFFFAOYSA-N 433.468 0.149 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@H]2CCS(=O)(=O)C2)C1=O 790746005 GKEICCCHIJGAHM-KBPBESRZSA-N 444.604 0.935 30 10 ICEE C[C@]1(C#N)CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 1134490630 UOYFHOGTRJUIJO-FQEVSTJZSA-N 448.501 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 1222224971 YIAFPMMSACHCNY-AEFFLSMTSA-N 439.607 0.926 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1286787605 HGQDJEFUKONNNX-KXBFYZLASA-N 440.570 0.540 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1300465366 MBTRFVZNCIPKFJ-GOSISDBHSA-N 433.534 0.875 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301917005 PTVCNKZPLIFKEB-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1301952480 KDNASDNBNIMBGV-HRCADAONSA-N 449.585 0.887 30 10 ICEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1313163809 UXAAYVZDJABENQ-LIRRHRJNSA-N 426.539 0.372 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316210638 QFZVOYQVXXALFI-GJZGRUSLSA-N 427.527 0.556 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1358971999 PPZQREZSVBFOKZ-HRAATJIYSA-N 428.514 0.961 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359337626 XCOHPLIUYOFSDV-CXAGYDPISA-N 428.584 0.524 30 10 ICEE CN(C)CC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1463858390 SGTWCTHOCBIJEQ-UHFFFAOYSA-N 434.338 0.989 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1507549809 PDSVWNFLHFWNPX-QGZVFWFLSA-N 430.534 0.924 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507651461 ASOPVDJTYWBQQK-NHCUHLMSSA-N 432.528 0.917 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)CC1 1507740035 MQEWFZZNCSHWGY-UHFFFAOYSA-N 444.561 0.664 30 10 ICEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507936319 BGXYUNGKPFERAJ-UHFFFAOYSA-N 443.552 0.751 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508059458 VCGYBHRSAVLZIE-CABCVRRESA-N 433.538 0.764 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539223945 AFMVBMGCUMJZOF-QGZVFWFLSA-N 430.534 0.415 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1540893142 XZBAOJPMEJCPFD-CVEARBPZSA-N 449.533 0.985 30 10 ICEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)CCN1C1CC1 1555992671 ZBKKALAFZHPOMW-KRWDZBQOSA-N 440.508 0.501 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588073712 BVPDGLKOJJBTMQ-INIZCTEOSA-N 432.550 0.951 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1588138242 ATQRNZSJGLSJIR-MOPGFXCFSA-N 448.593 0.558 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595938352 UBTURXZAGPOCPG-DZGCQCFKSA-N 440.909 0.341 30 10 ICEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1596126217 AQGFMAWLSMWIEW-UHFFFAOYSA-N 435.492 0.964 30 10 ICEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cn1 1618399443 BSDFPNDHHNBRFP-GJZGRUSLSA-N 440.430 0.670 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(N)=O)[C@H](c2ccccc2)C1 1629991064 FIMVDWGAAIFQOD-ZOCIIQOWSA-N 426.498 0.953 30 10 ICEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 1630586338 CUZNSZCCAWQEFI-TUYSUELWSA-N 440.543 0.395 30 10 ICEE CCN(CC)C(=O)CN1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 1640287910 IUXJVNCMTWICRO-UHFFFAOYSA-N 449.577 0.860 30 10 ICEE C#CC[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1643533282 RLUISJPQEXUJES-WBVHZDCISA-N 449.529 0.632 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 1644281570 GTVLDPXOLROVFY-UHFFFAOYSA-N 428.470 0.956 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155473 ICPGCKRQUKXUSE-MQIPJXDCSA-N 431.923 0.404 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1690047006 KBMJDYOYJZUWJO-QZTJIDSGSA-N 437.566 0.745 30 10 ICEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1690869975 XXNBLQIMYHBGOC-SFHVURJKSA-N 444.565 0.527 30 10 ICEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1692571750 FNHQPTFMPAQYDI-CALCHBBNSA-N 432.506 0.706 30 10 ICEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1696654125 QEXLJVKJPHBEQI-LJQANCHMSA-N 440.504 0.917 30 10 ICEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697109731 FTHCPZBNZGDASO-AWEZNQCLSA-N 429.529 0.691 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1710874214 BCBKNIAPAIXXTI-QGZVFWFLSA-N 443.533 0.807 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1712647786 KCZNJJQBOFMEAC-ZVZYQTTQSA-N 430.465 0.640 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 1722517807 NWWORTHQQKVEHU-GVDBMIGSSA-N 443.570 0.553 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)CC1 1722574539 MTAWMOOLZGVLDJ-CYBMUJFWSA-N 434.588 0.230 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722628982 FDQWNNITPUUTBT-IXDOHACOSA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722700215 ATWSXNBQTUDEHT-KRWDZBQOSA-N 447.565 0.332 30 10 ICEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1726694876 ZBUGKOWUDLTXLZ-SDSZKEBNSA-N 443.508 0.713 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740963403 JTBSKZRJTAEMNW-KKSFZXQISA-N 432.525 0.477 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818259 YJIDJBNJHAUBHQ-JKSUJKDBSA-N 444.579 0.232 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1748962621 MPMVNTBAUVXZOU-HNNXBMFYSA-N 425.555 0.429 30 10 ICEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1749572670 ACOVWSJLAHBIOL-LJQANCHMSA-N 435.506 0.734 30 10 ICEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1CCOc1ccc(C#N)cc1 1855880288 WODSJTBQCAUNAR-YJBOKZPZSA-N 434.518 0.420 30 10 ICEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229961 JAUDUSOTSREERY-UHFFFAOYSA-N 442.501 0.694 30 10 ICEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 1890823082 OBIWRJYCSRIART-UHFFFAOYSA-N 443.481 0.607 30 10 ICEE C/C(=N\Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1)c1ccccc1O 253564749 GXEQACOHXXESLI-ODCIPOBUSA-N 427.450 0.771 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 498955327 GQQBRYHKTBIAHX-VVJOJPPRSA-N 426.583 0.081 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 616169648 KECKOYAYIRAESY-UHFFFAOYSA-N 435.481 0.784 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 732152584 DJWQBKNOLAUXJL-DPPKGPFUSA-N 446.529 0.871 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCN1C1CC1 732705581 CVTMCVJIQZNGQA-QGZVFWFLSA-N 431.518 0.608 30 10 ICEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 737872225 DCTIBOZMBNOXHF-CQSZACIVSA-N 427.548 0.931 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 1125489450 ROJHBEVQRKOOPX-SFHVURJKSA-N 433.530 0.531 30 10 ICEE C#C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Br)cc1 1129730548 JKGTXYCBUGQBEA-ZDUSSCGKSA-N 430.262 0.687 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1S(C)(=O)=O 1196114685 YVYGNYMXMPCURF-HZPDHXFCSA-N 425.580 0.423 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CC1 1300700537 RWTQGNZHKIKDNE-QGZVFWFLSA-N 448.593 0.384 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1358889852 HPQZPJSGNRQPDV-IRXDYDNUSA-N 440.566 0.850 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1358994381 LRJXOCBIFZIBIF-ZWKOTPCHSA-N 433.534 0.419 30 10 ICEE C#CCCN1CCC(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1444688527 QNECWFUSXVJWQU-IIBYNOLFSA-N 439.578 0.872 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)n(-c2ccccc2)c1C 1473822581 XPUPNEYZWHLTCU-QGZVFWFLSA-N 428.518 0.739 30 10 ICEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1503108036 AWOCEKYWWYOGLI-UHFFFAOYSA-N 434.451 0.789 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508090119 LXHVEOAXNHIOAI-ZIAGYGMSSA-N 444.458 0.979 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508158347 FNDUPJVMXQILCR-INIZCTEOSA-N 435.598 0.795 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539446140 RUJAQSYATHTGBJ-LJQANCHMSA-N 443.596 0.874 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1539452626 WFKIBVJISKTSNC-HXUWFJFHSA-N 427.505 0.945 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1541115776 FFJFNDLVPLLTJZ-CVEARBPZSA-N 436.542 0.494 30 10 ICEE CNC(=O)CN1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1543015652 SXBKEIMGADADHQ-QGZVFWFLSA-N 426.477 0.090 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1570741077 BOKRCFDOQUMDET-DJJJIMSYSA-N 439.501 0.856 30 10 ICEE CN(CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)c1ccc(F)cc1 1585132213 MSLBSUOHSKIOKR-KSSFIOAISA-N 443.522 0.623 30 10 ICEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC)CC1 1588864798 KCEIOZXFEHJMES-UHFFFAOYSA-N 446.577 0.778 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCCS2(=O)=O)CC1 1588954401 GXIJEQQMVXQABU-UHFFFAOYSA-N 434.566 0.232 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1589070039 QCNIAYRKMHDWCY-YOEHRIQHSA-N 442.542 0.419 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1594732507 FKFNLIZRPZCGGI-LSDHHAIUSA-N 426.543 0.244 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1594732920 JLEWAMOOZCNSAR-HZPDHXFCSA-N 440.570 0.669 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595500646 AITNZYICIHWEGG-UHFFFAOYSA-N 436.538 0.914 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1615208696 FSKYLSISNVOYFK-VGOFRKELSA-N 434.537 0.154 30 10 ICEE C#CCn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cn1 1618800199 ANDLIFUWDZPXJY-UHFFFAOYSA-N 447.492 0.438 30 10 ICEE C#CC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1C(=O)OC(C)(C)C 1648790708 RJQZPRMPOXKOIQ-NRFANRHFSA-N 427.461 0.997 30 10 ICEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC 1656973370 BTACJRJUCPXNJF-AUUYWEPGSA-N 439.490 0.926 30 10 ICEE N#Cc1ccnc(N2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)c1 1675938127 AVMNKQSFCFGRGU-UHFFFAOYSA-N 435.488 0.217 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690668697 FOKRSHIUOTVBRE-UHFFFAOYSA-N 427.513 0.621 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690672992 KIEXINRXJWKEGH-GOSISDBHSA-N 430.484 0.652 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCSC1 1692780915 DXORXRQYHZGJBO-XKQJLSEDSA-N 428.584 0.886 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705516414 AOMMCMCQRJCQGI-OAHLLOKOSA-N 443.595 0.502 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1722352883 QMDADTQWTXGBIQ-MRXNPFEDSA-N 430.534 0.530 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccc(C(F)F)n2)CC1 1722441587 SUDMMFCVQRDKAQ-UHFFFAOYSA-N 430.463 0.932 30 10 ICEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722462263 ZEXPMBIQKZWTDP-UHFFFAOYSA-N 427.578 0.841 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)CC1 1740688332 DNAKHSNPNDSWAX-LJQANCHMSA-N 430.553 0.713 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](F)COC)CC1 1740705756 LZLLBBUJRHQCRL-CVEARBPZSA-N 441.529 0.131 30 10 ICEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CCO1 1750388981 UWTBTQUIZKNOGC-QZTJIDSGSA-N 431.541 0.366 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OCCOC)CCOCC2)CC1 1760260048 KQLZXMAGSXBOLN-GOSISDBHSA-N 446.552 0.197 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3[C@@H]3C[C@@H]3C)CC2)c1C#N 1762399724 AEHFQGICAAIXTG-DUVNUKRYSA-N 447.569 0.709 30 10 ICEE CCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766789397 IAMWGLWXZNBRPX-DXQAYGFFSA-N 448.549 0.943 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CCO1 1767706864 CPELYWSEFBNYBC-SFHVURJKSA-N 427.509 0.346 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 442112150 UTCWKNNZKRSCPZ-HNNXBMFYSA-N 427.548 0.758 30 10 ICEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 483678263 DDYLEDQKCZNQOC-UHFFFAOYSA-N 439.476 0.735 30 10 ICEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nnc2n1CCC2 521719502 HVKPAGUZVSYHAH-AWEZNQCLSA-N 429.506 0.873 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCCOC)C1 549270987 YEJHHKPFXVTQPV-SJORKVTESA-N 443.570 0.676 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 582075354 VLDJDISHAUTXRH-MRXNPFEDSA-N 429.543 0.430 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3cccc(C#N)c3)ncnc1-2 729491577 MNFDFMBAWXHVGF-UHFFFAOYSA-N 436.295 0.761 30 10 ICEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732696303 BZBHWFRHUOJENJ-KRWDZBQOSA-N 449.533 0.920 30 10 ICEE C#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 741214527 XCEQLWRHLFZFPJ-HNNXBMFYSA-N 441.527 0.661 30 10 ICEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 774255793 OLIYWRVABQHGSF-NSHDSACASA-N 439.968 0.512 30 10 ICEE COc1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c(OC)cc1Br 798856961 YVRBHEBNPLNVID-QMMMGPOBSA-N 444.267 0.996 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856694024 PBJVSZZRGYFHBS-DLBZAZTESA-N 427.486 0.214 30 10 ICEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 1083936819 BODCQUAUCLQGED-UHFFFAOYSA-N 449.522 0.845 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 1229019879 DOUGHPZBCLEWSP-HNNXBMFYSA-N 434.497 0.867 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1286396549 WCBBNNYIZZYJPJ-IAGOWNOFSA-N 426.539 0.545 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1286469737 KFRSBQKSLWDHNT-GOSISDBHSA-N 439.568 0.574 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1286758087 COGFMNDOWKACHH-BEFAXECRSA-N 438.554 0.268 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286779098 NSGFTAVIMKQTKL-HNNXBMFYSA-N 433.513 0.531 30 10 ICEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286789193 AUJUNSBVKACGOV-GOSISDBHSA-N 426.521 0.707 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286818748 NEPRWTNMICMMBU-DLBZAZTESA-N 434.522 0.720 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300506146 NOZYLQZJFYPMRD-QZTJIDSGSA-N 446.577 0.693 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC2)CC1 1300711322 XZXMZWDVWWCYBK-UHFFFAOYSA-N 441.580 0.966 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)C1 1301556226 GIQRNZCIUCPFBT-XHSDSOJGSA-N 447.533 0.377 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1302496735 ZLJLZCQGICLMKE-JKSUJKDBSA-N 446.489 0.870 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2cn(CC(=O)OCC)nc2-c2cccnc2)CC1 1308913960 HHVJUONXHQGNOI-UHFFFAOYSA-N 446.533 0.093 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)CCO1 1309504637 CFMRICJYRYUFDJ-BXUZGUMPSA-N 436.303 0.798 30 10 ICEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1351265386 DTRBVJKXFRAFQH-OAHLLOKOSA-N 437.547 0.995 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1358964196 VGEAMPZOBODOTN-HZPDHXFCSA-N 444.579 0.234 30 10 ICEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359026778 KKQLJIUYEGQYIV-OAQYLSRUSA-N 448.545 0.801 30 10 ICEE Cc1cc2c(N3CC(NC(=O)[C@H](C)NS(=O)(=O)c4cccc(C#N)c4)C3)nccn2n1 1457225657 JMZCDDAPUHGNTF-AWEZNQCLSA-N 439.501 0.581 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1503781947 YFAZEIFCBBGMDP-BWGFTNSASA-N 443.508 0.413 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1504888649 XEFDXZVCGVSGOT-CABCVRRESA-N 438.554 0.461 30 10 ICEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507540432 DXCXCEQHOSQGAO-ZWKOTPCHSA-N 429.569 0.801 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508239539 XBLSETDPHUYZJL-QWHCGFSZSA-N 435.510 0.458 30 10 ICEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)NC 1539333654 JILSCLPEPGEAPT-UHFFFAOYSA-N 434.547 0.282 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCOC)CC1 1539437527 DBAKUAGGHHJLFR-UHFFFAOYSA-N 447.561 0.767 30 10 ICEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555485092 DZIFANCCQNSJNS-QZTJIDSGSA-N 430.557 0.374 30 10 ICEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)CC1 1560145646 PMJPTAVUKOEDDV-MOPGFXCFSA-N 436.582 0.274 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1565156371 IMTVXWNXZDZZGQ-CYBMUJFWSA-N 429.262 0.951 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602692 OSXLSJXIMCRIRU-MGPUTAFESA-N 434.497 0.262 30 10 ICEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1616335691 GPJLRQGUFOJXSA-SCLBCKFNSA-N 443.522 0.865 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1618544510 ZOAVQDCNFYKRAA-SYLQMPFCSA-N 440.508 0.628 30 10 ICEE COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1620079625 BKWMKBRYIIZABF-INIZCTEOSA-N 442.542 0.014 30 10 ICEE C#CC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1633560321 YVAYEYFNNXVXDS-PMPSAXMXSA-N 426.535 0.643 30 10 ICEE COC(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]([C@H]2CCCO2)C1 1652402119 NIZUAODFFUZVSS-BPQIPLTHSA-N 435.502 0.796 30 10 ICEE C#CCSCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1690186991 YHXOZNPGDLZPAO-XLIONFOSSA-N 437.566 0.638 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(C)C)CC1 1690375902 WRQNWKHIPJRZSK-MRXNPFEDSA-N 440.570 0.636 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690733786 NDZKAXPDIPZWMQ-MJBXVCDLSA-N 444.583 0.742 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1698253949 GQXYGGHOSFXZOA-XHSDSOJGSA-N 442.542 0.059 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705534983 XKEDZXGTBIFCBI-HZPDHXFCSA-N 439.538 0.414 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705551442 NKMOBYCVUZOROO-YESZJQIVSA-N 425.555 0.742 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1705621298 BLLVVSDRSAEFQK-CVEARBPZSA-N 435.554 0.433 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)CC1 1705633086 IUMZDVMBCCCLRH-MRXNPFEDSA-N 446.581 0.153 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC 1705716298 GKTDYYVNKVGJOZ-RXAIFQJESA-N 433.600 0.782 30 10 ICEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705833136 VNHCAHOEFHEFMV-GOSISDBHSA-N 446.552 0.993 30 10 ICEE CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709371530 STYGEBUFSXBCQV-DNTCVELPSA-N 443.508 0.542 30 10 ICEE CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1711515501 ATGZWFNZWJHBBB-RVKKMQEKSA-N 426.543 0.776 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722322953 YZVWBFHBJKZGGP-OAHLLOKOSA-N 425.497 0.459 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1722398126 XZEGPKPMFUXYHQ-WOJBJXKFSA-N 447.605 0.880 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C[C@H]1O 1729782448 FKPNTEAKQNCXTN-HMFYCAOWSA-N 440.504 0.244 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740689099 OPCSMAQCHFJNRC-QGZVFWFLSA-N 434.566 0.237 30 10 ICEE C#CCN(c1nnc(CC)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748817002 CAHSPYWXMYXGHW-KRWDZBQOSA-N 440.566 0.679 30 10 ICEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749450434 GRQOVHNAZKLVPX-OAHLLOKOSA-N 426.481 0.732 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749651609 YWCAOWANTUSUJP-OAHLLOKOSA-N 426.525 0.914 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749668915 GKUBLSLTBSIBEN-CABCVRRESA-N 425.555 0.734 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1749712939 NHRQHQFXIYLIKU-ZJIFWQFVSA-N 429.518 0.923 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1760524787 JJXKWUOFMKAOGC-UHFFFAOYSA-N 446.577 0.998 30 10 ICEE CNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769360519 NRMUFOTUMVEXBG-FWWJWKNHSA-N 444.496 0.117 30 10 ICEE C#CCOCCOCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2133332462 UPURPGNGABDMED-LJQANCHMSA-N 426.466 0.597 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630658 NEWGSTHCOJLMAK-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@H]3CCCCN3C(=O)[C@H](O)CO)C3CC3)nc2)OC1(C)C 204875930 FKQWFPNBAFQESW-QZTJIDSGSA-N 446.357 0.479 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)[C@H]1CCS(=O)(=O)C1 730212897 FFZHUAWYPZKKID-HOTGVXAUSA-N 441.575 0.708 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 742178010 QPNFFPMRNCUXNB-UHFFFAOYSA-N 442.469 0.995 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)COc2cccc(C#N)c2)CC3)CC1 754770843 WGTSOVXLDQTYCC-GOSISDBHSA-N 436.516 0.900 30 10 ICEE Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800772073 YTOAILROELCDLD-FQEVSTJZSA-N 434.548 0.950 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cnn(C)n2)C1=O 807936209 XMBHTEKFLMZMAZ-QGZVFWFLSA-N 440.533 0.886 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2nnc(CO)c2C1 820134130 RBVGWYICPDHMDR-CQSZACIVSA-N 432.506 0.266 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)CN(C)C 1128703680 OCCYNOKJOAKBNM-HXUWFJFHSA-N 437.566 0.595 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 1234971060 KNWNNTVCXRXXTB-SHTZXODSSA-N 429.543 0.085 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1286376122 FVUGFIDHMMPXKY-NQIIRXRSSA-N 447.561 0.978 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286387013 MGLARGBCIBSRBY-MRXNPFEDSA-N 437.547 0.402 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286774839 KYAYUPBADCLXIM-GJZGRUSLSA-N 429.568 0.371 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286788156 QWNVVCKGBJKFBR-GOSISDBHSA-N 445.568 0.219 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286793781 LWIJVAJYWVFTBJ-NZSAHSFTSA-N 445.568 0.421 30 10 ICEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc(I)cc1-n1cnnn1 1298543730 VHIAVEHNYMLWNJ-JTQLQIEISA-N 428.190 0.377 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1300480218 ZYOXRFYVJQJWRN-SJLPKXTDSA-N 448.593 0.527 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1300732948 GAQSECGVTUAREK-OAHLLOKOSA-N 426.612 0.929 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CC1 1303860545 BHWYJVFZCDIQTC-AWEZNQCLSA-N 430.538 0.892 30 10 ICEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(C)(=O)=O)C1 1303933335 JBPXFWIRAYRRPZ-RHSMWYFYSA-N 444.583 0.250 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C1 1312468103 BFJCNBXFZNRZCG-LSDHHAIUSA-N 442.538 0.735 30 10 ICEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359223019 YOHHAEDLXMEFMT-GJZGRUSLSA-N 441.558 0.037 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2cccnc2)c1 1471076149 MKHWFECTEQRCOQ-QZTJIDSGSA-N 433.486 0.941 30 10 ICEE Cn1ccn2c(CNC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)nnc2c1=O 1471184598 PXWMWWBGSXLRIS-UHFFFAOYSA-N 434.460 0.860 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1507517951 JQQSNCRNEBAHNJ-UZLBHIALSA-N 440.566 0.716 30 10 ICEE C#CCN(c1nnc(CC)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507633056 CIDHVOJRQNPWAN-QGZVFWFLSA-N 445.545 0.906 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1507637966 NQFYEONQERSOKZ-ZWKOTPCHSA-N 445.545 0.812 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OC)CC1 1507733870 NAIJJRYRHGUAOS-UHFFFAOYSA-N 439.520 0.834 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1507746275 OAXRWJVVGBYFDL-OAHLLOKOSA-N 442.611 0.703 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508087608 CVUWDTFISINRHB-UHFFFAOYSA-N 443.552 0.509 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)C1 1508124297 LLSSWZUKVSMLOW-HUUCEWRRSA-N 425.555 0.734 30 10 ICEE C[C@@H]1CSCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1512571165 RHAPMDKOVONUNP-IWHJNQCMSA-N 445.549 0.869 30 10 ICEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1524854853 YGQCAYLGTIYDGZ-WBVHZDCISA-N 443.547 0.561 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1539803032 DFEDKMDLMKSPGH-AWEZNQCLSA-N 428.902 0.914 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1540905917 XDPBBNGNYGJONZ-JKSUJKDBSA-N 446.595 0.644 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588055296 VCZGGADZFIEKPZ-SJLPKXTDSA-N 443.529 0.913 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H](CN1CCOCC1)c1ccccc1)c1cc[nH]n1 1623471777 ONOLPXLVUYZEMR-GOSISDBHSA-N 429.477 0.883 30 10 ICEE CS(=O)(=O)N1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1624071817 PAWAICPAYYTKNX-MRXNPFEDSA-N 433.490 0.303 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689994233 URTMCHBBDPZDGW-KRWDZBQOSA-N 430.534 0.369 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1690001947 VVVWFRYHIHZHCD-INIZCTEOSA-N 443.529 0.975 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705571652 FAAMGYJSXLMUES-FJIDUMEYSA-N 440.566 0.911 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1705700614 WILLBTZDYUXVNB-BBWFWOEESA-N 437.566 0.863 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1705932184 OIZBYTZSMNEOBG-UHFFFAOYSA-N 431.522 0.442 30 10 ICEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1712879556 FHHFNWRSAGRLLQ-AWEZNQCLSA-N 431.403 0.839 30 10 ICEE NC(=O)[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712891876 OZGQFQXJFMURTK-ITEXZYEPSA-N 439.451 0.922 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712891877 OZGQFQXJFMURTK-PWLTZZKVSA-N 439.451 0.922 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722508867 MSMBNRFWNXQJJG-KONPQCLYSA-N 437.566 0.828 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccco1 1722639758 DDSLVYLERDZEFK-HNNXBMFYSA-N 438.510 0.256 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CC1 1740696545 WSFRIWHUFMUQJS-HNNXBMFYSA-N 437.957 0.486 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCCS2(=O)=O)CC1 1740707820 RGDPTKZNIWSODW-QGZVFWFLSA-N 437.566 0.748 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1741731966 LRTADVPFTBAQBQ-UTKZUKDTSA-N 431.541 0.583 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1748651050 IAQICHVDHXYYKE-AWEZNQCLSA-N 439.563 0.746 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(CC)S(C)(=O)=O 1748670739 BGFCCFWPUDFXKX-HUUCEWRRSA-N 431.584 0.310 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1748671630 LZOKSYMWAFSHFH-RHSMWYFYSA-N 434.522 0.521 30 10 ICEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748730292 IPBSSILLVYRMAO-UHFFFAOYSA-N 443.552 0.537 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1760131535 UPBCZFQLZQSJGI-IRXDYDNUSA-N 435.554 0.794 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1760154782 INOHPZYDYVFPJF-IRXDYDNUSA-N 438.554 0.129 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCOCC2)CC1 1760397663 ZDQAQGYPAAUAQP-OAHLLOKOSA-N 440.570 0.540 30 10 ICEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1=O 1769054580 UFPVUDDHCJFRFE-HXUWFJFHSA-N 443.533 0.377 30 10 ICEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1772564504 KTHYBWVGTQAQMS-UHFFFAOYSA-N 434.570 0.966 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2=O)CC1=O 1853910079 UDYSOQXIPLUAAZ-OAHLLOKOSA-N 433.486 0.016 30 10 ICEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1873599477 YAVSJCDZHCYAEX-GOSISDBHSA-N 425.489 0.963 30 10 ICEE CC(C)(C)OC(=O)NCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1 2256060175 IEDIMBRZLWNGKH-UHFFFAOYSA-N 434.302 0.799 30 10 ICEE CNc1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O 306122161 QIFALPZRQOUILR-YXEIUGFCSA-N 443.456 0.162 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)C1=O 461287280 WJYRZWADZLUZDT-LBPRGKRZSA-N 432.399 0.613 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 514835834 QDEIGWXJJUJZKA-QGZVFWFLSA-N 425.510 0.903 30 10 ICEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794646241 FPYZNVOIPWLNLU-MRXNPFEDSA-N 445.504 0.622 30 10 ICEE COc1ccc(C=NNc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cc1 1083943403 DRQXDSWJALWKRL-UHFFFAOYSA-N 441.477 0.695 30 10 ICEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)CC2)o1 1129719292 AWDKYNDEAINIFT-UHFFFAOYSA-N 430.553 0.984 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1286410809 WXDWHFIHFPRCJN-ROUUACIJSA-N 447.561 0.501 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)CC1 1286479068 JKZPKLOYVDULLK-INIZCTEOSA-N 431.541 0.899 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)[C@@H](C)CC)CC1 1286490433 KWGIYSWOFQJLJD-FUHWJXTLSA-N 429.569 0.925 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286556430 PEHXDCRQYGXOKZ-MEXWJNSZSA-N 433.509 0.571 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286779761 WYWKNXDUXUSJAF-NRFANRHFSA-N 431.541 0.117 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccn(C)n2)CC1 1301125140 MMQSNOWPZLQKOU-GOSISDBHSA-N 449.581 0.990 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301506234 HXKBUNDFJVOOOA-INIZCTEOSA-N 433.538 0.084 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959272 FSPQWSGTMAKCPP-HRAATJIYSA-N 446.529 0.732 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1358960973 PKEOVKOMSFCMRY-UZLBHIALSA-N 428.518 0.445 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1359330299 NQANJWGHLSPSIZ-UHFFFAOYSA-N 434.522 0.236 30 10 ICEE N#Cc1cn(CCNC(=O)c2cccc(I)c2N)c(=O)nc1O 1453843399 SLIASRZYMZYVQK-UHFFFAOYSA-N 425.186 0.437 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1 1465259373 VGOPUPTUGMJSDN-HOTGVXAUSA-N 439.490 0.919 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1507632128 XJJVWRBJQBBDMD-GOSISDBHSA-N 425.518 0.943 30 10 ICEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508059480 VIRHQKUOKPDPAE-CQSZACIVSA-N 431.584 0.617 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1508086384 KYCNGFGLGLKOOB-DLBZAZTESA-N 441.540 0.656 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1511977354 MQIRJDXBRQQGBO-FFVXTIDOSA-N 429.481 0.323 30 10 ICEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)CC1 1539445682 BYIHOXJFTHGZKI-UHFFFAOYSA-N 444.565 0.082 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539744777 WOGSYLJOFFVTEF-CABCVRRESA-N 431.497 0.295 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539751516 ORAHLXNSSYAJER-HUUCEWRRSA-N 434.584 0.642 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)C)C1CC1 1540109824 VEBKRFJUAOXIPT-MRXNPFEDSA-N 440.570 0.538 30 10 ICEE Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1542517142 BFGJRZZJFUQKID-SFHVURJKSA-N 437.504 0.981 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)CCOC)CC1 1588923786 LZBAIPBGIXHEEO-OAQYLSRUSA-N 427.509 0.488 30 10 ICEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1593806483 BTBJPDOGRKSKSN-NSHDSACASA-N 425.964 0.654 30 10 ICEE C[C@@H]1Cc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc2N1S(C)(=O)=O 1607488043 DYQZAKLHDVZANQ-LLVKDONJSA-N 429.458 0.228 30 10 ICEE CN(Cc1ccccc1)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1617921856 BURJMVICSNFLGQ-GOSISDBHSA-N 437.504 0.788 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1620166002 KITWUTOPBJIHHT-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE N#Cc1cn(CCC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1624923693 HBYWPRCRWUQBDO-OAHLLOKOSA-N 435.362 0.929 30 10 ICEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1629651669 CIBGVLMJEZZDJZ-JOCHJYFZSA-N 426.521 0.882 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccc(F)cc1 1636548987 ZZDWZAROBMBSGH-OAHLLOKOSA-N 427.440 0.976 30 10 ICEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1639046037 ASWQNAXDKZDARW-ZFWWWQNUSA-N 428.532 0.992 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690677225 RKSJVEUZADGNQN-JOCHJYFZSA-N 448.568 0.927 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1690734170 XPSFOFIIXDAVOX-PBHICJAKSA-N 431.584 0.803 30 10 ICEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697005614 BUBZHSKMOPOJEM-INIZCTEOSA-N 446.519 0.777 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1705932369 CWKNDXBPRHRVFD-AWEZNQCLSA-N 447.517 0.942 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1710898557 GDMXOKDABLFASV-MRXNPFEDSA-N 445.505 0.397 30 10 ICEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)CCO1 1712883095 KZKBNRUHAJXRTI-GFCCVEGCSA-N 433.274 0.841 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC=C 1722282993 PUIVUCCZWUJUCA-HNNXBMFYSA-N 426.506 0.980 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1722698595 IKQXJWBYKGEFPH-JKSUJKDBSA-N 425.555 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2O)C1 1722730059 HBGVAHLFOHHRMI-UHFFFAOYSA-N 446.533 0.665 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1722732330 KEZILUBFBPCMKK-ZDUSSCGKSA-N 430.600 0.770 30 10 ICEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1723120055 SJWPSNZSSNVTBA-VGSWGCGISA-N 437.504 0.371 30 10 ICEE Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742797613 IWPAUTVQWCXHAW-ZCXUNETKSA-N 428.497 0.497 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNS(C)(=O)=O 1744698353 SCFKVWKPVVDSTH-AWEZNQCLSA-N 433.542 0.157 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1749017022 SVPXPQFDOUKBNK-UZUQRXQVSA-N 438.532 0.770 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760154157 AZMYTSJKPVPFPN-JKSUJKDBSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760190251 ZGTDCDUHMSPLIS-PMPSAXMXSA-N 437.591 0.999 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1760219841 PTUMOIUJNXLYNF-MSOLQXFVSA-N 435.550 0.501 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 1858421748 CRTDYXJVUURECO-QGZVFWFLSA-N 426.502 0.708 30 10 ICEE Cn1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)nc1B1OC(C)(C)C(C)(C)O1 2255653914 PLVRFJBCEOVCFE-UHFFFAOYSA-N 426.326 0.696 30 10 ICEE COC(=O)[C@H](CS(=O)(=O)N1C[C@@H]2CCO[C@]2(C#N)C1)NC(=O)OCc1ccccc1 2286047811 JHCBYFIYBUYKFO-TXPKVOOTSA-N 437.474 0.399 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CCN1CCOCC1 545209708 DBRIVYUFWMRZRB-UHFFFAOYSA-N 446.960 0.453 30 10 ICEE C#CCN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@@H]1CCS(=O)(=O)C1 751684200 FYOXCTSVXUMSGX-GFCCVEGCSA-N 427.280 0.944 30 10 ICEE C#CCN(CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCS(=O)(=O)C1 754645223 YAVHGJNUSQECCR-IRXDYDNUSA-N 426.560 0.770 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 758656695 CWPBTXYHOFTOOI-UHFFFAOYSA-N 428.942 0.650 30 10 ICEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 761271227 KKDUQTMJXYGMPQ-AWEZNQCLSA-N 428.536 0.818 30 10 ICEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800775869 UNTMEJRABGASSL-MRXNPFEDSA-N 445.611 0.692 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802602387 RZAZEKDSXNKDST-IRXDYDNUSA-N 435.554 0.364 30 10 ICEE CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)c1 810803677 PVMJBJNMWGVIIG-UHFFFAOYSA-N 428.879 0.976 30 10 ICEE N#Cc1cccnc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 811919545 FVTHWFNDJDGFBS-UHFFFAOYSA-N 425.493 0.751 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286785552 ODSURIRXULZWEC-UHFFFAOYSA-N 449.581 0.884 30 10 ICEE C#CCN(c1nnc(C)n1CCNS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300481335 AFOJVKWUKVPHGD-MRXNPFEDSA-N 437.547 0.192 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)C)CC1 1300685186 JACRLCVTHVGCJQ-QFIPXVFZSA-N 432.569 0.846 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1300732724 NVKBUPHXVDURTC-UHFFFAOYSA-N 444.565 0.908 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC1 1300732750 OCCWNEWBYZSHSE-CQSZACIVSA-N 442.442 0.774 30 10 ICEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1300735021 ATYIUIYAWSAIBY-IBGZPJMESA-N 449.554 0.999 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301239754 SYABZTFCPDXEAW-KDOFPFPSSA-N 442.542 0.512 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955320 JUHYHKTXLWTOHM-WBVHZDCISA-N 438.598 0.773 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1358960471 FOWZNNJMNBXYQA-ZDUSSCGKSA-N 426.449 0.644 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1358961974 HXDLZVASMNFWHY-ROUUACIJSA-N 448.593 0.730 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1nccn1C 1447483673 LECIVQDXIVNTFI-OHFALNGGSA-N 446.508 0.584 30 10 ICEE Cc1ccc(NC(=O)[C@H](C)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1460861787 WYEGKLAPADSOOW-JXFKEZNVSA-N 436.534 0.957 30 10 ICEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1503103164 GRVBGGLQDXRPQD-IERDGZPVSA-N 427.509 0.948 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539215786 JEJJICUXTIYXRO-QAPCUYQASA-N 431.566 0.788 30 10 ICEE COCCN1C[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1555572503 ADJDMTSDDDTWHF-SJORKVTESA-N 425.493 0.872 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555818036 ZOSOQFNWNAHAPR-GOSISDBHSA-N 444.565 0.380 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)s1 1585786796 HSJYBWQMXBHTNO-INIZCTEOSA-N 442.607 0.278 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588955042 OOUOUENOTJTMGU-UZUQRXQVSA-N 438.532 0.770 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)(F)F)CC1 1588955244 SOFGQUUXZGPLHL-UHFFFAOYSA-N 426.443 0.875 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1595754170 LWIOJWGRRLSJEI-IXDOHACOSA-N 437.566 0.976 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595798488 PSALEIDOQXVHHZ-HUUCEWRRSA-N 425.511 0.761 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1595823732 SCRCEKHVUGVKAS-UHFFFAOYSA-N 449.533 0.793 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595884571 NNZVQQPNCPLQNU-HUUCEWRRSA-N 440.595 0.655 30 10 ICEE CNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1596929822 FNBSYJFUXQIPDS-QGZVFWFLSA-N 449.577 0.420 30 10 ICEE CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1615241452 CWEBIYRINLXMQZ-HFUDNHEJSA-N 436.538 0.941 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)CC1 1632960837 NBRVMWHQMSLXGC-UHFFFAOYSA-N 445.423 0.530 30 10 ICEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)O1 1639032735 AQRXZOWRNBFHQG-BHYGNILZSA-N 437.518 0.537 30 10 ICEE N#CCC(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 1653646983 YRUSSRBAWXEYDQ-UHFFFAOYSA-N 432.506 0.154 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1665749577 CKXBXERRQQSIDV-UHFFFAOYSA-N 447.336 0.095 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)CC1 1672533788 HZLKYPOIMQXYPN-UHFFFAOYSA-N 435.506 0.661 30 10 ICEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1689988437 OZUYYDKLXVSRNA-RDJZCZTQSA-N 435.550 0.277 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690669676 LZSRTTVRINHHDU-HOTGVXAUSA-N 431.541 0.520 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1705565250 HOVRGIXPIBXREI-FUHWJXTLSA-N 449.577 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)CC1 1705647755 LBZXCPMIGYUBHG-IRXDYDNUSA-N 430.509 0.001 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1705897712 RSKYLZSQXXMXME-KDOFPFPSSA-N 428.559 0.586 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccn(C)n1 1706619526 GOJURIXNKXTJFG-UHFFFAOYSA-N 448.535 0.986 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722333901 ZVEBXUVEROUOFE-KURKYZTESA-N 436.582 0.697 30 10 ICEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OC)C1 1722699861 ZVEOYFDCKZSSAF-KRWDZBQOSA-N 426.525 0.979 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCC1CC1 1723907706 AOPWDRIHZDIFOA-CQSZACIVSA-N 445.549 0.923 30 10 ICEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740885981 SMIMKWMBTZPYJD-VFNWGFHPSA-N 445.524 0.636 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(C)(=O)=O 1748672701 WYZZQLBKUJIPHU-INIZCTEOSA-N 446.581 0.849 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1760117478 PIISSKSANRWRJL-OLZOCXBDSA-N 432.344 0.978 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1760522260 PDGIPFBVHLNZHX-INIZCTEOSA-N 438.554 0.460 30 10 ICEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1770756446 DUCVDQANOCIXGC-MRXNPFEDSA-N 436.538 0.169 30 10 ICEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOCC1 1869933192 BFFSUQRWXFPRCL-HNNXBMFYSA-N 426.564 0.295 30 10 ICEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1891911204 CEDCPGGHFAVHLE-UHFFFAOYSA-N 428.470 0.878 30 10 ICEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O 1909689407 BMWCCTUSKYGKGQ-GHMZBOCLSA-N 447.373 0.847 30 10 ICEE CN(CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247949915 BFXKTWWZBXELJP-UHFFFAOYSA-N 444.363 0.865 30 10 ICEE C=CC[C@@](C)(CO)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270522524 OYXYNXDPIUUQEV-QFBILLFUSA-N 428.507 0.949 30 10 ICEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2315539192 STEBALJAOTUACY-STQMWFEESA-N 436.318 0.741 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2C1=O 16984461 DUTIXLBVDQYLRD-OCCSQVGLSA-N 434.470 0.659 30 10 ICEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 438594304 FFTUWYLLFMZQDH-ZLZJIPBDSA-N 446.529 0.795 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 507958572 QBXANIQXJSCNFS-UHFFFAOYSA-N 440.479 0.606 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 514305697 DJJVPNPLAPKBQJ-CQSZACIVSA-N 449.479 0.633 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 532904844 IYXPKOPJBSRGIS-UHFFFAOYSA-N 436.534 0.004 30 10 ICEE C=CCOc1ccc(NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1-n1cnnn1 586269053 OWXBFDUBOXOEPT-UHFFFAOYSA-N 429.462 0.925 30 10 ICEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 751924907 PJUJINWYBYOLMS-YYMQGOSASA-N 434.566 0.127 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCC3CS(=O)(=O)C3)CC2)cc1 790636135 VDOUKGJUGICUCO-UHFFFAOYSA-N 426.516 0.937 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)CC1 849520793 ABGIKIPBPLUAFZ-LEWJYISDSA-N 428.581 0.518 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 917356324 JIOUDXULFOYZCV-HNNXBMFYSA-N 427.530 0.244 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](COC)OC)CC1 1286473218 IUYFYBZHSDFUEM-SFHVURJKSA-N 447.561 0.765 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286481712 WWMZOJYHZFSRPA-HXUWFJFHSA-N 429.613 0.953 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)CC1 1286663219 ISWVGJJGZFJBON-HNNXBMFYSA-N 426.543 0.150 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286664452 WYMCARVMPQDGNI-QAPCUYQASA-N 444.579 0.132 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(C)=O)CC2)CC1 1300706024 GWDUKZBJPGJYRN-UHFFFAOYSA-N 427.553 0.414 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1301479144 UTQQQQUTBUXCAO-UHFFFAOYSA-N 448.549 0.930 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1316206286 MPDABYGBWKHJIK-WMZOPIPTSA-N 447.540 0.037 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1358959198 DNHAGHJXZNNJKG-IBGZPJMESA-N 440.529 0.970 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359056178 ZVAAXYVWUXSDDP-MSOLQXFVSA-N 431.610 0.812 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359296326 FOHVUUIUMCWDRY-JOCHJYFZSA-N 440.504 0.981 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359297356 NVDQFAIVPIFFHP-UHFFFAOYSA-N 435.554 0.446 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1359305890 PYDGGSBFPZEZMI-GDBMZVCRSA-N 442.586 0.484 30 10 ICEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1450340108 JDSWMOORMUGSMR-RYUDHWBXSA-N 431.308 0.630 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC(C)C)CC1 1539490678 ZHUKWAHPTXLAHC-HKUYNNGSSA-N 446.552 0.493 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540862070 QDHLZMXXUANUHW-CQSZACIVSA-N 426.481 0.285 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1541803857 NIKDFRFWSRIAOJ-OWCLPIDISA-N 426.543 0.776 30 10 ICEE CCN(CC)C(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1547419067 WXZWGQOYRJMQBN-ISLYRVAYSA-N 430.513 0.697 30 10 ICEE CS(=O)(=O)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1555808362 AITJWCAMVDNKDO-QGZVFWFLSA-N 437.497 0.798 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCO)cc1 1556054804 PCRNQBMCAQNLSS-UHFFFAOYSA-N 430.486 0.866 30 10 ICEE C#CC1(F)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1589646624 NYTPWZYUOCGNBH-GFCCVEGCSA-N 435.399 0.802 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 1629722290 KEFZZMYYFWREAL-LUVWLHFXSA-N 449.554 0.678 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCN(CCC#N)CC1 1642918884 AHAXEJDAAPAHKI-UHFFFAOYSA-N 449.577 0.693 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCN(CCC#N)CC2)cc1C 1642919009 FJRMZGRLQNADAD-SFHVURJKSA-N 435.550 0.274 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1 1643372664 WEZNNVRMVCEITA-UHFFFAOYSA-N 432.424 0.047 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1644638199 KVAMIPWUWAZYGM-IAGOWNOFSA-N 431.514 0.838 30 10 ICEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)C1=O 1661659576 MZYYNJQVGJLPQM-KRWDZBQOSA-N 429.564 0.923 30 10 ICEE C#CCSCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1684770766 SKGFCIWTLSVABT-UHFFFAOYSA-N 440.591 0.813 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689996616 KRPJGEBGPIAXGP-IAGOWNOFSA-N 435.550 0.454 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncnn2C(C)(C)C)CC1 1690109371 PCYOMGUGGJBULI-UHFFFAOYSA-N 425.541 0.664 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1705909439 XKYBXTWEUXCEMS-VGSWGCGISA-N 448.568 0.973 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1706078688 VFOSLMNBXBCCCL-ORIGZDJFSA-N 426.481 0.523 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712693083 JJTOOJNLGSUNDX-HFUDNHEJSA-N 434.522 0.695 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn(C2COC2)nn1)[C@@H]1CCS(=O)(=O)C1 1722368273 QOPHLMKRTZEXMA-MRXNPFEDSA-N 447.565 0.705 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1722508300 RNESNWZSNYAOAI-MDZRGWNJSA-N 432.525 0.505 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1722714393 MQCLQYMPWBEPTR-BBWFWOEESA-N 432.525 0.505 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2COCCO2)cc1 1731184535 CVRGFUSLEJEREC-KRWDZBQOSA-N 433.490 0.379 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740694867 WGSKTMKOIQZOHB-RTBURBONSA-N 428.585 0.010 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1740991636 ATSRHVQETKTKAO-INIZCTEOSA-N 444.579 0.564 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760545086 NFKQXBLYHABYIP-UZLBHIALSA-N 433.534 0.979 30 10 ICEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766387546 RPJSJFKVOQOEGX-NVXWUHKLSA-N 439.524 0.985 30 10 ICEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1767943331 ASZZEWYQMPBIPL-UHFFFAOYSA-N 433.494 0.254 30 10 ICEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C(=O)C2)C1 1855009691 JNVKWRQHEOFWKC-CYBMUJFWSA-N 426.399 0.690 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H](F)CC3CC4(CCC4)C3)C(=O)C2)C1 1856842052 HUKGNVHKJQCZTR-IRXDYDNUSA-N 440.541 0.893 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccccc3C(F)(F)F)C(=O)C2)C1 1856845355 DBJAQXBECJJJSW-ZDUSSCGKSA-N 444.435 0.917 30 10 ICEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267598257 XGRFXLJXUBRCLW-WDEREUQCSA-N 445.251 0.643 30 10 ICEE COc1ccc(NS(=O)(=O)c2ccc(NN=C3C(=O)NC(=S)NC3=O)cc2)cc1 12487236 NQRUTOIDLPCTEL-UHFFFAOYSA-N 433.471 0.795 30 10 ICEE C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H]([C@H]1C(=O)OC[C@H]1O)S(=O)(=O)O 96321110 CVWRSNZBRKRAAY-VVUYNLBYSA-N 432.535 0.909 30 10 ICEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cs1 516374247 RYTPAOSPZXLUDU-AWEZNQCLSA-N 430.555 0.889 30 10 ICEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 576889860 PNBZNCWHEQRFHB-ROUUACIJSA-N 436.557 0.605 30 10 ICEE N#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 609336413 HOYQLRXKFWBIAN-UHFFFAOYSA-N 427.552 0.556 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 669814700 JXQQQRPUKIXBDZ-SJORKVTESA-N 440.570 0.098 30 10 ICEE C#CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)[C@H]1CCS(=O)(=O)C1 746590521 LBLDNALEQDBYHP-BTYIYWSLSA-N 429.498 0.634 30 10 ICEE CO[C@H](C)CS(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 764173632 PSBJMOKPJIFINP-OCCSQVGLSA-N 431.536 0.621 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 790163255 QTJPCMRDTTZRKS-LBPRGKRZSA-N 435.907 0.946 30 10 ICEE CS(=O)(=O)NCC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 804327255 JZNRGYBTWKTMCH-UHFFFAOYSA-N 442.563 0.293 30 10 ICEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 914595269 XLOZRIGDGFTBPX-NVXWUHKLSA-N 435.502 0.200 30 10 ICEE C=CCOC[C@@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1139175487 GJFKHBMDVODNQY-VQIMIIECSA-N 426.491 0.302 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286341488 GCJYNIMPFPPKEH-JKSUJKDBSA-N 438.554 0.129 30 10 ICEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286352330 ZVOURVFFCRUJMJ-AWEZNQCLSA-N 428.443 0.708 30 10 ICEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286513643 XGUUWEQZGCXZKF-OXQOHEQNSA-N 434.566 0.853 30 10 ICEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1286540426 AZCCRNWVNJPZLT-ZDUSSCGKSA-N 432.344 0.757 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300268244 PVOVPPUMBXOYPB-AWEZNQCLSA-N 425.493 0.138 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300666425 YRXTYRDYRSWALP-SJORKVTESA-N 425.555 0.540 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301499149 YPFJNUTWYFGVJK-VXGBXAGGSA-N 443.430 0.036 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)OC)C1 1301567271 GPGDWCQDNSSXMF-AWEZNQCLSA-N 425.511 0.114 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1316351550 GVKVDZPLHBCPGI-QGZVFWFLSA-N 443.533 0.567 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCN2CCOCC2)cc1 1316533003 DRVGXJCDGVGWKA-UHFFFAOYSA-N 425.493 0.387 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359326942 NPYPONQAEGJXSC-HOTGVXAUSA-N 425.555 0.976 30 10 ICEE CC[C@]1(C)CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1497592409 YPXCNHAQESOGFX-XXJLXKPQSA-N 445.524 0.948 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1503832950 AMKAILBOMOGRNI-UHFFFAOYSA-N 432.506 0.755 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCc2nccn2C1 1510225498 VJSDYRAWUXAUSP-ZNMIVQPWSA-N 434.526 0.076 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)ccc1F 1535108174 FGFUQCAJXXTICY-ZDUSSCGKSA-N 448.494 0.092 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1539215426 BQFYHRMGPJVOLS-KRWDZBQOSA-N 446.577 0.747 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1540201404 SOOFQZHSWFYQHE-KRWDZBQOSA-N 441.598 0.930 30 10 ICEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1548263801 USRFPEWOSKUQOH-HNNXBMFYSA-N 448.553 0.518 30 10 ICEE C=CCC1(O)CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1560155765 UQZUUXWRDGDAHM-UHFFFAOYSA-N 437.562 0.727 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1588138245 ATQRNZSJGLSJIR-RTBURBONSA-N 448.593 0.558 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589708586 PBFVYZCLUISOLQ-ZDUSSCGKSA-N 434.588 0.325 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1595799038 VXHQBYLQKULISM-GJZGRUSLSA-N 446.595 0.785 30 10 ICEE COCCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1619812994 JYWMAJRRWVMBQI-CRAIPNDOSA-N 444.533 0.870 30 10 ICEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1620162178 JTVZECSUIATODY-DLBZAZTESA-N 428.518 0.966 30 10 ICEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)COc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1626655244 ANYPBQXUOFMECS-UWJYYQICSA-N 431.514 0.701 30 10 ICEE C=C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1633695957 MOSVIMDXILBWPL-OAHLLOKOSA-N 436.534 0.673 30 10 ICEE N#C[C@]12CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C[C@H]1CS(=O)(=O)C2 1639822265 YSVDOPJZRDUHHJ-XXFAHNHDSA-N 440.275 0.790 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1 1642937755 XOFULHYECKYILB-IBGZPJMESA-N 438.571 0.819 30 10 ICEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1645506387 GRCGTWAJSXFHGY-PVAVHDDUSA-N 428.482 0.964 30 10 ICEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1647796996 OMSOPUFEBXOMMN-IAGOWNOFSA-N 426.477 0.978 30 10 ICEE COc1ccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1660381604 IRTFMUSVTNROMV-IBGZPJMESA-N 438.506 0.269 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689977729 BMDVIJVGJXTIKJ-OKZBNKHCSA-N 449.577 0.813 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689989310 CYGYEGYKIBURMV-SJORKVTESA-N 437.566 0.714 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1690047533 STEDWFIBLHFSQA-SFHVURJKSA-N 445.549 0.361 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1690675071 OTASJXKYWABDDD-UHFFFAOYSA-N 445.549 0.534 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566158 ZLUJQSIPMRKLGI-QGZVFWFLSA-N 430.534 0.835 30 10 ICEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1)C1CC1 1705854760 NNWKWAVROVBTNI-JKSUJKDBSA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705903516 XIMSNQFWUZGNRG-OALUTQOASA-N 431.585 0.691 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740624606 KDOSQAVVTYAYBJ-MRXNPFEDSA-N 437.566 0.700 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CC2)CC1 1740697513 HFTNQVTVYQMEGL-UHFFFAOYSA-N 444.561 0.476 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1740863076 NTDUOECXIRNMDQ-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)CC1 1748988800 BNFVIUIIPBQTHJ-SJORKVTESA-N 436.582 0.240 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC(C)C)CC1 1748994511 JGCVNLUJGJFUCO-UHFFFAOYSA-N 443.577 0.940 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760192417 UKJSQWNNODFSAP-QGZVFWFLSA-N 434.566 0.927 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1760260374 ZNSBUONHJUUBPS-GOSISDBHSA-N 438.598 0.599 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1760522193 NNOGLDABVHNTBG-PMPSAXMXSA-N 438.554 0.292 30 10 ICEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)n1 477454354 PRSJEPGORZSOJC-MRXNPFEDSA-N 440.525 0.664 30 10 ICEE CN(C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1)c1ccccc1 488120828 RFNWDYFHUOQPDB-GOSISDBHSA-N 449.536 0.988 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 539230956 HBJUJIDQJQGEQI-UHFFFAOYSA-N 449.982 0.493 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 544671037 AKPLFADRXPLINC-HNNXBMFYSA-N 426.520 0.151 30 10 ICEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 557685177 UYFWGXICJHGURM-IAGOWNOFSA-N 447.517 0.694 30 10 ICEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1 727418336 YFTLZFYDWXVNBT-UHFFFAOYSA-N 431.473 0.835 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC(=O)N1CCN(c2ccccc2)CC1 732460183 ASVORCHQRDZZOM-FMQUCBEESA-N 426.477 0.161 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 734273194 KCZIQMZMYLWKAX-IBGZPJMESA-N 442.564 0.518 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCN1CCOCC1 743725530 UMTCVQLINPDMGR-UHFFFAOYSA-N 447.586 0.036 30 10 ICEE CCN1C(=O)[C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCN2C1=O 752760893 GBTQYYTWJBKGTK-AWEZNQCLSA-N 433.490 0.000 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccccc3)c2=O)cn1 772278369 QRNFNQLNGFCINE-UHFFFAOYSA-N 435.509 0.521 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCN1CCOCC1 783943854 YGJGFBNXDNFKHT-UHFFFAOYSA-N 438.538 0.516 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)n1 1116840288 IFVVZNQDHOKJQU-QFIPXVFZSA-N 438.488 0.929 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286495647 BKKNVRGJYKWYST-UONOGXRCSA-N 426.568 0.066 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286496132 NZYHROKTJDIUHJ-MPGHIAIKSA-N 443.595 0.639 30 10 ICEE C#CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1291929974 WQQWNFZJLMOZFQ-GJZGRUSLSA-N 448.563 0.060 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1301569268 USFSAIXAFATJOJ-CABCVRRESA-N 448.615 0.020 30 10 ICEE CC#CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312976819 LLJHARWFVFNXIW-QGZVFWFLSA-N 438.550 0.221 30 10 ICEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCC2CS(=O)(=O)C2)C1=O 1320941593 XNHDWQJJJGLKPC-ZDUSSCGKSA-N 426.520 0.593 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358956055 ZBXQYCOPOCGMQA-QZTJIDSGSA-N 448.593 0.625 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NC)CC1 1359331524 BMDWHQRTXZEQGP-INIZCTEOSA-N 425.555 0.735 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1359333086 OAFOLYXUWUGWRU-CABCVRRESA-N 446.595 0.642 30 10 ICEE O=C(NCC#CCO)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1467504733 WIELGLFEJYKYRC-UHFFFAOYSA-N 427.526 0.919 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 1478551147 RXCUCBJYWJKWAG-HOTGVXAUSA-N 443.570 0.569 30 10 ICEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1504719723 AEBMLLIQXHWNJY-KRWDZBQOSA-N 434.522 0.608 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC=C 1507765946 WKSWIRUHIVXKLN-RHSMWYFYSA-N 429.568 0.481 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539613578 ZGMVNXKTRKSQQA-YFHUEUNASA-N 435.525 0.758 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540877336 RFEXNYAOSYDMLJ-NVXWUHKLSA-N 442.524 0.829 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)CC1 1556022704 LXXKYVLKGOQZCQ-HNENSFHCSA-N 448.549 0.772 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 1568701238 JUCMHLWELIRAFP-GOSISDBHSA-N 435.322 0.520 30 10 ICEE N#Cc1cn(CC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(=O)nc1O 1570711477 IJKZGJUAHUPJAW-HNNXBMFYSA-N 427.436 0.905 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595536934 JGFMIZFGOWHEBU-HZPDHXFCSA-N 429.525 0.274 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1617385523 CPMAQSWWWWQAMH-CQSZACIVSA-N 431.522 0.423 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 1621835377 MTUCWUMOUYRQGW-UHFFFAOYSA-N 440.953 0.454 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1636353364 YAZCBYZQKRUTID-MRXNPFEDSA-N 428.511 0.495 30 10 ICEE N#C[C@]12CN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)C[C@H]1CS(=O)(=O)C2 1636512600 MBYVFBKWJRBIRE-MEDUHNTESA-N 437.275 0.920 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(Br)cc2F)CC1 1643369273 AOEWXUXPFFOXOS-UHFFFAOYSA-N 434.287 0.579 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1643372591 SESIPRMYMNBPHZ-HUUCEWRRSA-N 432.518 0.193 30 10 ICEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1644230167 RAYMULVNRGFFPR-UHFFFAOYSA-N 439.465 0.749 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689994463 YVZPBLMBOXEGLO-JXFKEZNVSA-N 435.550 0.188 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(C)c2)CC1 1705644316 MHKBOHSYRVUIMF-UHFFFAOYSA-N 440.552 0.944 30 10 ICEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711020649 WZQXVHGDNODQBL-RDJZCZTQSA-N 437.570 0.240 30 10 ICEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1712104342 NMPYQGGSFRQNNN-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1712617162 VODLUSHUDLCOLZ-UHFFFAOYSA-N 428.493 0.775 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnn(C)n1 1722468120 IZXANMOFSGLWOJ-LJQANCHMSA-N 426.506 0.913 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1722763816 GQAARKYYLGILBI-BBWFWOEESA-N 436.538 0.167 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740626283 SZYQZZIUQMURHN-SFHVURJKSA-N 444.561 0.805 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1748962415 HJHZVMLFYWJYDE-VQIMIIECSA-N 441.623 0.704 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1748965224 QHWPQNVRXBRBHA-INIZCTEOSA-N 438.510 0.042 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncn(C)n2)CC1 1749342922 SLTWDZQZMDBBQX-OAHLLOKOSA-N 436.542 0.190 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749669797 NQFREPXZDXPOFA-UHFFFAOYSA-N 433.557 0.342 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)CC1CCOCC1 1749738569 QHPGYGIRBGYPEU-UHFFFAOYSA-N 425.555 0.864 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)cs1 1751782941 PRKJKLSAHZUSKY-AWEZNQCLSA-N 425.540 0.302 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1761237628 WQRKYFSBYZXRMT-UHFFFAOYSA-N 428.497 0.139 30 10 ICEE CCOCc1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1767858756 QWHOLDWURYGLID-VHEBQXMUSA-N 443.508 0.448 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1770978510 JXYAPBNDILOKMI-JBYIUTFZSA-N 443.504 0.964 30 10 ICEE C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(NC(C)=O)n3)[C@H]2SC1 1848437499 DMYACLJHAMVFRC-QSWIMTSFSA-N 437.459 0.204 30 10 ICEE C=CCN1C[C@H](C(=O)OCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1=O 1852700834 NINUQOZHYKQEGS-GOSISDBHSA-N 435.546 0.879 30 10 ICEE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977264 LVCFDQOHVSSKAI-CYBMUJFWSA-N 444.469 0.992 30 10 ICEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870541600 GKOYBQUPRDBXBR-SFHVURJKSA-N 432.521 0.406 30 10 ICEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCOCCO)ncnc21 1875230686 KAWINZKALMPCLU-UHFFFAOYSA-N 446.508 0.952 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255831198 RLOWPIUGKKFHAQ-QWHCGFSZSA-N 436.318 0.809 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2255875658 BORBTPSEKVVTKH-VXGBXAGGSA-N 433.318 0.709 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)n1 479377234 BKWFXDIHHPOBEX-INIZCTEOSA-N 440.525 0.618 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 481786192 KQKNNJPDWOVXJG-IEBWSBKVSA-N 433.578 0.854 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 604180033 VRKLZCRBQQXXIY-INIZCTEOSA-N 437.566 0.627 30 10 ICEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2ccc(OC)cc2)nc2c1c(O)nc(=O)n2C 606630549 NQAVCNCYALMFBH-MNUWJXFPSA-N 428.449 0.854 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 728880320 FVHSHXHNEWLHND-KRWDZBQOSA-N 446.573 0.803 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCN1C1CC1 732706436 JTGXXAUIYCVLSB-LJQANCHMSA-N 445.483 0.682 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 749534347 VINSQJDODAJRFL-IBGZPJMESA-N 425.533 0.824 30 10 ICEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 803848678 HTWBQERDUKFOMQ-UHFFFAOYSA-N 432.433 0.782 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C[C@@H]1CCCO1 812274071 SWAINGCUXCYFKF-ZDUSSCGKSA-N 449.483 0.565 30 10 ICEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 1134274842 BQYWGBNTXLKURF-BVKCEDBHSA-N 433.530 0.749 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)C2=O)cc1 1140808076 FPWRAYIQNMLDTK-IXDOHACOSA-N 430.486 0.941 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286407841 SNBRJUNUZNNRCJ-KRWDZBQOSA-N 440.529 0.601 30 10 ICEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C(C)=O)CC2)CC1 1286483575 QCULEUJHVCZCMD-UHFFFAOYSA-N 449.603 0.983 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1286726430 FBABXRYSDSIZRJ-MRXNPFEDSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286790028 ZEYOBNGBALPXDY-HNNXBMFYSA-N 433.538 0.036 30 10 ICEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1287606394 ZESFLUOLRZLGPI-MRXNPFEDSA-N 440.570 0.902 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300497272 AHSNOGSWAHEBIU-KRWDZBQOSA-N 440.533 0.560 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1300732539 BRHZZJWOYKPYLE-HNNXBMFYSA-N 443.595 0.641 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301500910 QVVMOMYOCPVSQP-SJORKVTESA-N 432.525 0.650 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358961069 QZIRDWKUJXIBRZ-CQSZACIVSA-N 428.465 0.587 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359049842 WWBJIDZDGDOIEG-ZNMIVQPWSA-N 440.595 0.502 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1359291563 VPTYCIPWYKXMPI-UHFFFAOYSA-N 444.515 0.969 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359303941 GFKSTBIPVXTCOO-KRWDZBQOSA-N 441.540 0.753 30 10 ICEE N#C[C@@]12CN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1439614984 WGGZYRWXBADQBE-GUYCJALGSA-N 443.572 0.933 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1493170905 UDCJKASSGMMXNZ-CJNGLKHVSA-N 436.476 0.472 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1507733148 YFGGAZQRCHXSIN-UHFFFAOYSA-N 443.533 0.033 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1508097671 JKRDVVKVRQUCRB-WOJBJXKFSA-N 434.497 0.263 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1510159097 RPSKECKUFBGHCA-FHLIZLRMSA-N 448.549 0.936 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCC2)C1 1555812299 CTRCWFOVDZYPCP-CRAIPNDOSA-N 441.533 0.149 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1568075882 BLYNPLUYIYHXHY-DTZQCDIJSA-N 439.434 0.960 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOC[C@@H]2C)CC1 1588884849 OPBQNCUMZSTIQO-KRWDZBQOSA-N 445.568 0.103 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1588930113 NVNZZETVTWIYDQ-WOJBJXKFSA-N 444.580 0.595 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN(Cc2ncon2)C1 1623853243 QGJOEMGYHOMSJM-OAHLLOKOSA-N 446.533 0.917 30 10 ICEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1643359679 ZWODDRGNMNPQMK-MRXNPFEDSA-N 442.534 0.826 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CC1 1657806397 UEGAWCMPHSEJFD-OAHLLOKOSA-N 440.595 0.992 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1690662944 GRHJSWILNHBQDL-OAHLLOKOSA-N 447.517 0.650 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1692661635 FKGJVVDPQFLFBR-RDJZCZTQSA-N 433.538 0.987 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1698254443 KRTSBWRKJKLQMC-JONQDZQNSA-N 425.511 0.166 30 10 ICEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705520206 LPLQINRLTQWORH-GOSISDBHSA-N 436.516 0.850 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)N(C)C)CC1 1705639386 MXMXKSZTJKYAGG-QZTJIDSGSA-N 446.577 0.831 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1705662216 STCCVULJZXBLSB-HUUCEWRRSA-N 425.580 0.638 30 10 ICEE CN(CC1CC(F)C1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1711130722 KHRWBYPCNIKZJZ-ANSUJVGSSA-N 431.472 0.940 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722362808 WNHWCLCDUUQXSO-CVEARBPZSA-N 432.506 0.167 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(C)CN(C)C2=O)n1 1722429176 IEMQFZFWDKNSAL-VGSWGCGISA-N 441.536 0.743 30 10 ICEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722458473 KNLSPCTYQYHNJS-HNNXBMFYSA-N 446.533 0.714 30 10 ICEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1730420313 COIDQLACJBBBCL-UHFFFAOYSA-N 440.504 0.939 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740578507 BTNCGUXHKRFVCJ-IEBWSBKVSA-N 429.569 0.819 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1740591403 OWJYHWGSSCTJIZ-SFHVURJKSA-N 436.582 0.556 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749672044 OIKDEEQASQCHED-MJGOQNOKSA-N 431.585 0.768 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760550263 VPJHGGVIUFIYKL-IRXDYDNUSA-N 442.524 0.909 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C1=O 1854241139 JYQQHLCAEURINZ-IRXDYDNUSA-N 437.493 0.446 30 10 ICEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562525 HUYGYFLTKLRYJK-UHFFFAOYSA-N 439.520 0.623 30 10 ICEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCOCC3)OCC(=O)N2C(C)C)cc1 1889253778 BNJBPFATGVRJLO-YADHBBJMSA-N 429.517 0.824 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCC2(CC1)OCCO2 2282343625 QYAPOBGMKGLUDU-UHFFFAOYSA-N 427.332 0.683 30 10 ICEE O=C(O)CCC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 254309792 FWBZWXUKNAJGFQ-UHFFFAOYSA-N 430.395 0.333 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440378416 GGRPVECGLGGTMP-INIZCTEOSA-N 442.497 0.209 30 10 ICEE COc1cnccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 478491967 QJNQCMUNQCGDAR-OAHLLOKOSA-N 429.502 0.977 30 10 ICEE N#Cc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 585296547 BRHMPQXFCISJAB-UHFFFAOYSA-N 429.506 0.659 30 10 ICEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 731213483 DKZTVUIZGFXVAU-CQSZACIVSA-N 447.966 0.651 30 10 ICEE N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCN1C1CC1 732664026 KDMCPAOHWLVNOG-NSHDSACASA-N 433.353 0.988 30 10 ICEE Cc1cc(N2CC[C@@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 744461212 XKXUDUWGHSLRIE-CQSZACIVSA-N 431.474 0.506 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 747337237 NRDCCSLGFWUREC-AEFFLSMTSA-N 430.530 0.679 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 758659361 TUXZFBQLYQXWJA-UHFFFAOYSA-N 449.558 0.358 30 10 ICEE COCc1nc([C@@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 779701182 ZIXMKZCGMNJCOU-ZDUSSCGKSA-N 435.462 0.245 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)n1 789003165 ISZZNQZAVLGKHA-UHFFFAOYSA-N 447.508 0.939 30 10 ICEE CCOC(=O)CON=C(C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1cc[nH]n1 856613866 LNAKIFRMWNTWJA-LSDHHAIUSA-N 428.449 0.071 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCOC3=O)CC2)s1 1151970747 RNKMDUDDZPXQJF-HNNXBMFYSA-N 427.548 0.651 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1158229689 FIOJGMCWGRWMTM-KBXCAEBGSA-N 425.532 0.652 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)CC1 1213523347 YODHZIHIAVDOOO-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286399231 CAWQGSKNGBMJDB-ABSDTBQOSA-N 435.550 0.689 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286818750 NEPRWTNMICMMBU-IRXDYDNUSA-N 434.522 0.720 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)CC1 1300683509 OXDSNLIGARFGDE-IAGOWNOFSA-N 446.581 0.418 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1301425417 VHZOFQNQFGCCAT-GJZGRUSLSA-N 425.555 0.734 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1302312057 VFTDFEADAPSJHM-KSZLIROESA-N 434.541 0.842 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1316151506 IPHCQLWEVJEJCV-UHFFFAOYSA-N 441.536 0.472 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316210639 QFZVOYQVXXALFI-HUUCEWRRSA-N 427.527 0.556 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1358978060 CEQLTKNKMKSNQH-LAUBAEHRSA-N 449.577 0.625 30 10 ICEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1503404089 YBPXEAHJPTWEHN-LJQANCHMSA-N 438.536 0.951 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2nnn(C)n2)CC1 1507740665 WMLAWRIIGBGFAY-UHFFFAOYSA-N 425.522 0.468 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507751408 NXISJAIOIVFVBY-GDBMZVCRSA-N 425.580 0.604 30 10 ICEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507919855 PUKNGDAUWCXSCC-KRWDZBQOSA-N 440.552 0.889 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508074114 MJSLFGBIHCUNLO-RRFJBIMHSA-N 426.543 0.053 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1509948591 AZYOYVLUFVHEIC-CABCVRRESA-N 426.543 0.654 30 10 ICEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1516993821 MJSSMSOTMURNHG-HXUWFJFHSA-N 428.518 0.920 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1528572149 XBJPMFBKBFMVMZ-MRXNPFEDSA-N 446.529 0.387 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539454128 XEBNDFCRZIZIHD-DQRAZIAOSA-N 446.515 0.546 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1540037118 BLHFHWAOZRALIT-QAPCUYQASA-N 442.517 0.646 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540876421 QSBIPGUCCWJNLP-YQVWRLOYSA-N 448.568 0.840 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1542483338 PRRLKDPXSNKHTF-SFHVURJKSA-N 449.533 0.956 30 10 ICEE CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1554489109 CFBYPSJTJIIACT-UHFFFAOYSA-N 437.508 0.130 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 1561148974 CQQWIHCSGPJZAA-CQSZACIVSA-N 428.507 0.873 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c(=O)nc1O 1585794805 HAEVCQXJDPUKEH-GOSISDBHSA-N 436.472 0.160 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1588574320 DIGWDUNEWBUOMK-HOTGVXAUSA-N 441.554 0.518 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595561831 CWUZXONORRAXCP-XLIONFOSSA-N 443.596 0.912 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595595716 YMTKAQQYDRFTPH-AWEZNQCLSA-N 437.497 0.922 30 10 ICEE CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1607296705 PVICODZZHSJYAB-OHTQGHCMSA-N 436.538 0.799 30 10 ICEE CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617399895 LNSXUIOCJOWDAK-UHFFFAOYSA-N 444.565 0.763 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1617619578 JNAWOGCFYYXGML-OAQYLSRUSA-N 439.476 0.848 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncccc2S(C)(=O)=O)s1 1623397411 UOTXYCOHQDJOTF-UHFFFAOYSA-N 429.545 0.870 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCN(Cc2ccccc2)CC1 1638149850 RBOFQWMOEZVGPV-UHFFFAOYSA-N 442.541 0.868 30 10 ICEE COCc1nnc2n1CCN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2 1659314826 XRIGGSGAGKFOTR-GOSISDBHSA-N 427.484 0.788 30 10 ICEE C#CCN(C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCS(=O)(=O)C1 1660319012 WJMZKLAZJOSMCR-HUUCEWRRSA-N 428.536 0.514 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1 1677916690 ZELUNTBAFVSKTG-UHFFFAOYSA-N 435.481 0.818 30 10 ICEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)NCC#CCO)CC[C@H]32)CC1 1687394808 ZOKQNLFEYKIHTL-IAGOWNOFSA-N 435.525 0.559 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705637095 JEAXIBOCOPKDLJ-OAQYLSRUSA-N 429.546 0.558 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCCC2)CC1 1705651064 IGSLKRXUXLMEHK-UHFFFAOYSA-N 441.580 0.852 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705662439 YTLJTLAVXFUFAK-ZIAGYGMSSA-N 432.593 0.170 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1705898306 HPVIFKIMIDJGSB-OAHLLOKOSA-N 428.493 0.966 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908596 DYHZMNTUWFONPZ-NHCUHLMSSA-N 448.524 0.652 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722358417 HNEQUJMVVLLMLZ-KRWDZBQOSA-N 434.566 0.305 30 10 ICEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)CC)CC1 1722566260 NUYTTWDFZYNJLW-YVORESIASA-N 431.584 0.536 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722726358 CULFWTJSOWLDMY-KKUMJFAQSA-N 436.538 0.077 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722728363 QPJACDZQRBXOEE-CABCVRRESA-N 432.568 0.396 30 10 ICEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1722763818 GQAARKYYLGILBI-ULQDDVLXSA-N 436.538 0.167 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1722844564 FVDGJVMQOREVEX-QFPXGYFVSA-N 429.481 0.023 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1729342563 HJOMEXQMSUOYQC-CVEARBPZSA-N 446.489 0.822 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1740619478 PDPAMLHLMGUFDQ-FOIQADDNSA-N 431.518 0.952 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740994102 IUPVCIMAACAHFF-MRXNPFEDSA-N 435.554 0.407 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749676685 ZMWUYCBAXAPXGX-KRWDZBQOSA-N 432.550 0.970 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1760554462 DVAHKHUJFAQPJJ-JKSUJKDBSA-N 446.595 0.644 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1760558178 IKVUFYQZODRUEP-OAHLLOKOSA-N 427.527 0.025 30 10 ICEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1764845544 WXPKVJFXHKPPEK-ZDUSSCGKSA-N 431.522 0.657 30 10 ICEE CCCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)C1 1856839011 XVLGMFYYUTTXRT-IBGZPJMESA-N 432.546 0.976 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2255868320 NCTXHPHRZXNURI-IBGZPJMESA-N 439.322 0.120 30 10 ICEE C#CCCN1CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286045199 MTVUEZAXUNUFQO-ZWKOTPCHSA-N 437.518 0.471 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOCC)CC1 555247135 FOGYKSPUTSNNAS-KRWDZBQOSA-N 442.586 0.346 30 10 ICEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 742594171 MZSLUOZQGCXYHL-UHFFFAOYSA-N 427.461 0.640 30 10 ICEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 772699713 FFHBWTZEUSDPEA-IAGOWNOFSA-N 440.543 0.406 30 10 ICEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCN(C)CC1 1221675850 GZQCRKALWLCNSX-CQSZACIVSA-N 443.483 0.772 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286390734 BOEYNPILURDROP-OAGGEKHMSA-N 444.579 0.089 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1286492450 FVWKXFNQUMWULM-IBGZPJMESA-N 436.516 0.895 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1300273473 QNPHGMAAQKQAQW-HOTGVXAUSA-N 447.565 0.626 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1300631907 XZYXCCXGVBIIGB-DLBZAZTESA-N 447.565 0.530 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1301518911 KWAZGSOMTJOJCP-VGOFRKELSA-N 446.552 0.824 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CCC)C2)CC1 1359044768 OEMTYCRKRJLUTR-PKOBYXMFSA-N 441.580 0.927 30 10 ICEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCOC1 1360374103 NQFBZCBPSCXCLT-IBGZPJMESA-N 434.474 0.171 30 10 ICEE C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1456446192 WOXQUSMFBZIYMG-CQSZACIVSA-N 447.492 0.838 30 10 ICEE N#C[C@]12CN(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1478596304 NHYRJFACRJXQEL-WOSRLPQWSA-N 436.456 0.900 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539460200 ZVKHQZFLYOTJPB-SFHVURJKSA-N 431.566 0.330 30 10 ICEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)[C@H](C)C1 1557955762 VTAFLVHDOSRXAQ-UKRRQHHQSA-N 427.548 0.785 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1588055581 XVUSAWCVFKFEDA-HOTGVXAUSA-N 440.591 0.997 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C(C)C)CC1 1588961824 NIXZLLWSVZRIAK-UHFFFAOYSA-N 429.569 0.707 30 10 ICEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C1)c1cc[nH]n1 1629283585 IXSFYRKCVCGYAL-WDEREUQCSA-N 434.371 0.894 30 10 ICEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1632095481 QJSZBZVIARIJGX-JKSUJKDBSA-N 426.539 0.609 30 10 ICEE N#Cc1cn(CCNC(=O)c2ccc(Br)cc2-n2cncn2)c(=O)nc1O 1641970337 HUHGUAJMLSNGGT-UHFFFAOYSA-N 430.222 0.594 30 10 ICEE CC(=O)Nc1ccc(S(=O)(=O)CCCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1654974849 KCDGVKDFKSSNJW-MAUKXSAKSA-N 425.532 0.679 30 10 ICEE C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C1CCOCC1 1682991924 KDIPUUKSYQRJIR-KRWDZBQOSA-N 435.502 0.558 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1689852177 BODNYIFLNOWWPB-BBWFWOEESA-N 426.587 0.799 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1690527189 KUYMEDFLLZLVAW-INIZCTEOSA-N 435.554 0.743 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690658844 BNDMJIBTMSZLLR-CABCVRRESA-N 438.492 0.475 30 10 ICEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690676811 FEEUNSZRZYBXGU-OAHLLOKOSA-N 430.513 0.514 30 10 ICEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1696624023 FVTKRIDHLKBYDL-CALCHBBNSA-N 448.505 0.182 30 10 ICEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1696996044 NKKAVSWKKBIWKU-OAQYLSRUSA-N 425.493 0.779 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705558682 FAMAQJPSAPAEGU-SJORKVTESA-N 433.534 0.834 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705565095 FXBAXCHIECGPBI-TWOQFEAHSA-N 435.550 0.671 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705653011 WFQWUWADIXFIJM-MRXNPFEDSA-N 435.575 0.507 30 10 ICEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1711566181 CSGXMMSANJWMKL-VKJFTORMSA-N 442.517 0.478 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1722372043 OIFUGZZUNMAIOH-RTBURBONSA-N 441.557 0.969 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)CC=C)CC1 1722433188 OKNZVAJFOCKCFD-FQEVSTJZSA-N 437.566 0.286 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1722435229 DSHODUFXHHPQKM-UHFFFAOYSA-N 441.561 0.900 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1722698741 LGZKFGVYOAFTMY-GOSISDBHSA-N 426.477 0.761 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622082 TXWZDVKMEZGBGR-WBVHZDCISA-N 447.565 0.610 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740709834 MEIXFFRWKBMRPE-OAHLLOKOSA-N 442.611 0.548 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1740794644 FRYPDDQPSKJSKC-MRXNPFEDSA-N 425.555 0.735 30 10 ICEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741110747 LJMVLEOMGUCWQC-UHFFFAOYSA-N 439.524 0.536 30 10 ICEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1749411791 GNJJVMMFELRCJO-OAHLLOKOSA-N 427.575 0.065 30 10 ICEE COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1749688379 CNNWGHXRXRDRIZ-INIZCTEOSA-N 438.510 0.597 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)C1CCC1 1751207464 BQYSQIKHSSVTIB-CQSZACIVSA-N 437.570 0.935 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760270071 IKEROOXJVFRHMX-CZIZESTLSA-N 425.493 0.333 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1760514499 HMIXTOFBCHSOIH-UHFFFAOYSA-N 448.491 0.344 30 10 ICEE CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1760585843 DQJFJNJXVCJNOB-UONOGXRCSA-N 425.559 0.743 30 10 ICEE C=CCN1CC[C@@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C(=O)C2)C1 1853697565 DPWMRMAZXPYWIY-QGZVFWFLSA-N 435.546 0.790 30 10 ICEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CC(O)C3)ncnc21 1873593351 OHFFUDVACCHGPJ-UHFFFAOYSA-N 442.501 0.376 30 10 ICEE CO[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108229723 VJGJHUZEXWBTMK-QAPCUYQASA-N 427.454 0.892 30 10 ICEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243021127 QQAVZXGEOFTIAT-CQSZACIVSA-N 429.514 0.657 30 10 ICEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403703 FXXBENJIRFHPAJ-LLVKDONJSA-N 442.347 0.864 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412354 JBQLPMNOHOBSDS-QWRGUYRKSA-N 440.331 0.568 30 10 ICEE Cc1c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255535201 REWBVLNEZBINGQ-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N(CCO)CC(=O)O)cc2Cl)OC1(C)C 2284398725 BCTIQHJGLDCTPL-UHFFFAOYSA-N 425.721 0.768 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](O)CC(=O)O)cc2Cl)OC1(C)C 2284408116 SFJQZMJDPVMNGQ-MRVPVSSYSA-N 425.721 0.815 30 10 ICEE CC#CCN(CC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2300542147 KXHKOIBFMBPAIQ-HLLBOEOZSA-N 441.525 0.704 30 10 ICEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2303951046 QNDKTILVUOZLAP-STQMWFEESA-N 426.319 0.785 30 10 ICEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 410072961 CUPZAUQFVAOFGG-INIZCTEOSA-N 439.534 0.211 30 10 ICEE CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 486621659 UZCLQGFGHIBNNK-KRWDZBQOSA-N 429.502 0.678 30 10 ICEE CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 532976658 JNTCLFDJUJMEJD-HZPDHXFCSA-N 449.577 0.980 30 10 ICEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 559038350 GKFHJGUYANJSMW-MRXNPFEDSA-N 438.488 1.244 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 609457155 MNQKJVZWYDVOJR-OKYOBFRVSA-N 438.594 0.788 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC(N)=O 617219505 GIDHONDDVPKUPN-UHFFFAOYSA-N 439.522 0.119 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)CCc1ccccc1 685542643 YCGAYESCGHSKIK-GOSISDBHSA-N 435.550 0.838 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671538 KSTRQGHDUUIMNM-INIZCTEOSA-N 435.509 0.518 30 10 ICEE C#CCN(C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)[C@H]1CCS(=O)(=O)C1 731473159 RCPPYEUFTMRLGX-KRWDZBQOSA-N 427.530 0.826 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 731901694 HUSOSTVHOQEFEA-UHFFFAOYSA-N 436.515 0.725 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 732464981 BAMHRVXUBXPANG-ZCXUNETKSA-N 433.415 0.959 30 10 ICEE C#CCCN1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1 769639404 YGARTUPSYXRNNO-UHFFFAOYSA-N 437.490 0.989 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 790312935 UYAPEYIUKMGGLI-UHFFFAOYSA-N 433.484 0.982 30 10 ICEE C#CCN1CCN(C(=O)CN[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)CC1 797523563 OXMLQOZGEDTQSG-NRFANRHFSA-N 435.546 0.235 30 10 ICEE CCN(CC)C(=O)CN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1140236300 FWTCLNYVITVIBU-UHFFFAOYSA-N 435.550 0.286 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286399232 CAWQGSKNGBMJDB-QKLQHJQFSA-N 435.550 0.689 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286477141 PAAQFNMFYQBDHD-HXUWFJFHSA-N 426.569 0.791 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1300991327 QWNKWKVOTSDCGN-HNNXBMFYSA-N 431.584 0.757 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301490942 IYOOCZBIYSKZPX-HXUWFJFHSA-N 426.481 0.390 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301496439 APCHPIISVYTFDY-GOSISDBHSA-N 439.520 0.778 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1301588732 ITXJKKNHLIMRGP-HOTGVXAUSA-N 446.595 0.786 30 10 ICEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1314948444 CCWJWKBAWCRRFN-HNNXBMFYSA-N 445.549 0.671 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1358978296 IPTDWPDZUCBOIR-QGZVFWFLSA-N 436.582 0.272 30 10 ICEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 1463162528 BQYWGBNTXLKURF-VLJBJNFASA-N 433.530 0.749 30 10 ICEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1502337389 HLKCFKCXYNDZMD-MSOLQXFVSA-N 432.573 0.419 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(=O)NC)C1 1508078665 FYOPCYOZHBEUCY-KRWDZBQOSA-N 435.488 0.747 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508082324 SBJGZHRUDCVUQP-MRXNPFEDSA-N 447.565 0.750 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508137801 RGTXXAXRKQOGQH-CQSZACIVSA-N 442.567 0.392 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)C1 1508676233 DJZVAMHFUBZQDD-YJXLLHPSSA-N 448.524 0.929 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](C)N(C)C)CC2)c1C#N 1511661206 CSHVYHSPVIXIHY-YOEHRIQHSA-N 440.556 0.420 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1555816753 CUEGACUBCUWYTA-UHFFFAOYSA-N 435.510 0.685 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 1562104400 VDBXLYDRKVQOGI-UHFFFAOYSA-N 434.566 0.446 30 10 ICEE N#Cc1c[nH]c2cc(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)ccc12 1565965299 DQRTVMAUTMDPDW-MRXNPFEDSA-N 429.502 0.101 30 10 ICEE CNC(=O)NC[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1584822262 BTQGOALAORQWJO-AQZMIJIOSA-N 435.525 0.930 30 10 ICEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc1I 1585138528 ISGZXTTYHSDXLU-XPTSAGLGSA-N 447.254 0.705 30 10 ICEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)[C@@]3(C#N)CCCOC3)C2)CC1 1586902493 XTLHOINTKMBSNG-LJQANCHMSA-N 442.538 0.400 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1588574258 BKUISHOEVWXQDB-HZPDHXFCSA-N 425.555 0.791 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNS(=O)(=O)CC)CC1 1594237740 USSZOBJUQGHPMW-MRXNPFEDSA-N 445.611 0.912 30 10 ICEE CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Br)cc1C#N 1595917714 LCLOCANEZIUZBE-CQSZACIVSA-N 428.308 0.625 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1618846895 BBLQNIJPUVDEPR-HNNXBMFYSA-N 448.505 0.277 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1632960382 GEFUFSYLGGEMKV-HZPDHXFCSA-N 428.555 0.682 30 10 ICEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1680051118 OCSJNMZUKGBNOY-SUMWQHHRSA-N 432.568 0.159 30 10 ICEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705562217 YWUHUVZKCNEQDB-SQGPQFPESA-N 438.550 0.736 30 10 ICEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)n1 1707832664 GVFPMOZFTORONE-INIZCTEOSA-N 433.538 0.836 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1722295511 LBFBIZQVGOVURD-KSSFIOAISA-N 448.549 0.984 30 10 ICEE C#CCCCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1722338419 IRLHWNBGLSZQDV-LPHOPBHVSA-N 425.555 0.862 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722358416 BGUMTBRVBPYFSA-ZDUSSCGKSA-N 441.460 0.855 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnnn1CC1CC1 1722466636 BMQDOMGGNNOLHI-FZKQIMNGSA-N 433.542 0.325 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740622328 XFMZKCXJVJMGKM-QZTJIDSGSA-N 431.518 0.772 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740623386 SMGVDLDFHHWVFJ-HOTGVXAUSA-N 431.522 0.121 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncc(CC)s2)CC1 1740690105 GTCBDCRSNTUDIP-AWEZNQCLSA-N 437.595 0.711 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740794717 GTHMUFOJSNOJTN-JKSUJKDBSA-N 425.555 0.865 30 10 ICEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1748047660 FWIAGORMMLGPGV-HXUWFJFHSA-N 430.534 0.364 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1748869113 UJKWDAXPHYNUQO-HSZRJFAPSA-N 442.564 0.557 30 10 ICEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749031936 OFNUWOAHSPPHQS-UHFFFAOYSA-N 441.561 0.577 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1749678192 YVHKRYJMXABUSA-KRWDZBQOSA-N 426.525 0.643 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749729399 IDLDFQFTSNYSIY-AWEZNQCLSA-N 427.552 0.810 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1760117479 PIISSKSANRWRJL-QWHCGFSZSA-N 432.344 0.978 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)CC1 1760270343 VRASFXICZXOIEW-KBAYOESNSA-N 449.577 0.571 30 10 ICEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1763272802 BPWQJKRETHDWKZ-WDUKFBBWSA-N 426.477 0.580 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)[C@@H](C)C2=O)CC1=O 1854141545 CBGPOSREMVDGJH-GJZGRUSLSA-N 437.493 0.917 30 10 ICEE N#Cc1c(NC(=O)COc2cn(CCO)c(CN3CC(O)C3)cc2=O)sc2c1CCC2 1870324416 JPZWDSWCVRFEAT-UHFFFAOYSA-N 444.513 0.456 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCNC(=O)OC(C)(C)C 2247954087 YBPVIVLJBLENPT-UHFFFAOYSA-N 446.335 0.454 30 10 ICEE Cn1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255614429 JIFHANSZWGPGIT-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCN(c4cccnn4)CC3)n2)cc1 491535841 ZOBFZDCAPUDYRK-UHFFFAOYSA-N 431.460 0.665 30 10 ICEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C[C@H](C)O1 503641377 GVDXAYYSWRHCSU-HOTGVXAUSA-N 434.518 0.683 30 10 ICEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549699677 VVZSVKPVIITLRZ-GOSISDBHSA-N 436.557 0.559 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 559936018 YZLWCRHSUSTJOR-FQEVSTJZSA-N 436.578 0.744 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CCN1CCOCC1 560426698 VOEHOWBGXZKTMS-UHFFFAOYSA-N 438.509 0.237 30 10 ICEE C[C@]12CC[C@@H]3C(=CCC4=C=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C#C[C-]43)[C@H]1CC[C-]2O 585661060 KLZHLTXOYIKTBG-ZVIREOADSA-N 442.464 0.957 30 10 ICEE Cc1cc(C)n(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 753930079 SATXYWCZYBYFBY-UHFFFAOYSA-N 445.501 0.448 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc[nH]n1 772654646 BGLTYFBVQPEDKK-INIZCTEOSA-N 431.424 0.750 30 10 ICEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 809918478 ZOUKLQZIOQQUSH-GJZGRUSLSA-N 436.513 0.724 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCOCC2)C1 820249510 OFPYRFHUYIHVIC-SFHVURJKSA-N 434.562 0.930 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286341486 GCJYNIMPFPPKEH-HOTGVXAUSA-N 438.554 0.129 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1286818589 KHYNOVWRNTWOGP-UHFFFAOYSA-N 436.538 0.179 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300485607 XLQHMLABZUZRGK-HUUCEWRRSA-N 431.584 0.310 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1300539078 XLDMCWSVKQHVIA-INIZCTEOSA-N 448.574 0.805 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1302093820 NVEXGWITCNWAAY-BZSOYRFXSA-N 434.541 0.719 30 10 ICEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302457845 DPMAFWDQYBCIBE-CYBMUJFWSA-N 432.506 0.752 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N(C[C@@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)C1 1313292440 RRPUCVXWBRJFIO-VQTJNVASSA-N 430.549 0.972 30 10 ICEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1358928255 YALOSQAGGUMOSE-UHFFFAOYSA-N 429.506 0.993 30 10 ICEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359130923 BITPEVWGGPZMBR-UHFFFAOYSA-N 440.508 0.255 30 10 ICEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC(=O)N(CCOC)C1 1499007571 CYSDMSVHAQUQMU-AWEZNQCLSA-N 425.493 0.870 30 10 ICEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1507618248 LBWYWZBWAYAEGR-UHFFFAOYSA-N 429.550 0.503 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(O)CCOCC2)CC1 1507737782 FFRWEWZZXXIVHF-QGZVFWFLSA-N 444.536 0.127 30 10 ICEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507952442 UHWVTNRGGRNMIH-KRWDZBQOSA-N 435.488 0.842 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1508145932 RAQUOJIFYUNJJR-INIZCTEOSA-N 445.611 0.311 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509021680 MMTBCKAFDNDCAT-UQCBTIDJSA-N 429.481 0.959 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)n2)CC1 1539428239 OBHDYMROBHIKIQ-UHFFFAOYSA-N 434.508 0.442 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1539428310 PWBLIJJEXUTHRI-UHFFFAOYSA-N 443.939 0.705 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nccs2)CC1 1539431315 RAGXOKWTPNVYOC-OAHLLOKOSA-N 437.595 0.733 30 10 ICEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1539573888 FUVGMXZVVBEJNS-CYBMUJFWSA-N 429.319 0.666 30 10 ICEE C#CC[C@@]1(C(=O)N2CCN(CC(=O)NCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1540444240 IFBZOCWFHJWYGN-QFIPXVFZSA-N 436.553 0.686 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540873289 SXNLTUQXXVCWNI-UHFFFAOYSA-N 447.565 0.332 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554427877 NVUZPAFYUDEBNZ-OZBMMWBBSA-N 443.508 0.271 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588098774 ASKLFEYYNULQSI-NRFANRHFSA-N 444.513 0.585 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602488 LFYCPRZQKAJYAD-SFTDATJTSA-N 432.525 0.480 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1595821031 AICCJFIWGNFVHQ-SFHVURJKSA-N 447.561 0.615 30 10 ICEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C1 1597371378 DDGXKNWEJBWLBI-BUXKBTBVSA-N 435.506 0.713 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@@H]2CCC3(CCOCC3)CO2)CC1 1662385539 MYQORMOPLHHGLZ-SFHVURJKSA-N 427.567 0.049 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCOC 1690345816 DILUDEYIDBJYIM-CQSZACIVSA-N 432.934 0.730 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1690346291 PLCFTXKCAXQITL-CQSZACIVSA-N 431.946 0.980 30 10 ICEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1696053147 GKGQXUUVSQYXCI-IRXDYDNUSA-N 430.506 0.264 30 10 ICEE COCC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1697718343 UOCAAYFEANYLIT-UHFFFAOYSA-N 441.492 0.645 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 1705523913 BWLBUJLIILWLER-INIZCTEOSA-N 426.587 0.849 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1705621302 BLLVVSDRSAEFQK-JKSUJKDBSA-N 435.554 0.433 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705937050 GYCDOOSFDJVUIU-HXUWFJFHSA-N 446.533 0.896 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1730629161 FDPTVFYFHIEKFJ-FQEVSTJZSA-N 448.549 0.686 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1740630201 GQSRGTVBZJKGDX-ROUUACIJSA-N 436.582 0.318 30 10 ICEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC[C@@H]1NC(=O)NC1=O 1740641012 BMSXSBIUTUFFCI-AWEZNQCLSA-N 439.501 0.331 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1740688928 LPRNWGUMDZJPCW-UHFFFAOYSA-N 444.561 0.623 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1747706324 BUOCPHPXWWNMOM-INIZCTEOSA-N 426.506 0.865 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC=C)CC1 1748989260 JOLMFDSRCCPIKC-SFHVURJKSA-N 436.582 0.723 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nncn2C)c1 1760129132 YZHBASQNCOTMNO-INIZCTEOSA-N 433.476 0.462 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1760548310 CWOHODJEXBUUNC-SNVBAGLBSA-N 433.478 0.488 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC#CCN1CCOCC1 1850069190 JSPBCXZLZYEYGV-CQSZACIVSA-N 433.452 0.824 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)n1 2255655693 PQFQPCAGFMZBIT-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2267597187 OUIQOQLZDFNJHP-UHFFFAOYSA-N 448.329 0.529 30 10 ICEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 448107406 GNHQADWKKPFCDC-UHFFFAOYSA-N 434.521 0.986 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCOC)C1 555272126 FSEUIHMECREASO-SJORKVTESA-N 443.570 0.819 30 10 ICEE CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3-c3ccccc3)c2=O)cn1 619175573 KOCKAHSACXINEK-UHFFFAOYSA-N 445.508 0.550 30 10 ICEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccc(C#N)cc1 740202707 GQUBBASMNFYEHY-GOSISDBHSA-N 447.469 0.989 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)CC1 758663338 SZMKDNWJLOHRIC-UHFFFAOYSA-N 425.555 0.116 30 10 ICEE CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@H](C)C1 784906950 LMEONGWJSYBUSP-FSXJBPCSSA-N 449.533 0.517 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(Cn4nc(CC#N)n(C)c4=S)CC3)C2=O)n(C)n1 794638172 BTRCPLZIHMDIDY-INIZCTEOSA-N 443.581 0.830 30 10 ICEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O 795492771 DAIIEPPRFNBPJE-HUUCEWRRSA-N 427.504 0.283 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)cc1 1141413743 GVDMYLGIQXOFED-QUCCMNQESA-N 448.545 0.271 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)ccc1F 1151962218 XTPQOPALNMJSJA-MRXNPFEDSA-N 425.482 0.800 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1275549636 REOCKTFYQRQINU-OAHLLOKOSA-N 433.486 0.630 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1286389331 IAZLIYNENBBXGL-KGLIPLIRSA-N 447.521 0.044 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1286508946 LGFNKDVIELUGDS-AWEZNQCLSA-N 427.552 0.435 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1286599940 FLJPXVUCXDOXQC-MAUKXSAKSA-N 429.543 0.477 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286787270 DWZWHZFRJDTHAM-IAGOWNOFSA-N 431.541 0.666 30 10 ICEE Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1290612395 HHEMDQNFNLMWIJ-UHFFFAOYSA-N 432.510 0.638 30 10 ICEE CCOCc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1297112205 FEEGTCAGWJHNHV-KVEZSKFTSA-N 430.509 0.938 30 10 ICEE CCOCc1nnc(N2CCC[C@H](NC(=O)CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297223168 NAVJUZXXKJMTRN-DNTCVELPSA-N 445.524 0.836 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1300465415 MFRLMOBAHYWSJV-HUUCEWRRSA-N 431.509 0.606 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1300498102 GTYKYQTUUCWISM-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE CCOCc1nnc(N2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314346203 DZBAPMOPSSHIPO-VHEBQXMUSA-N 431.497 0.446 30 10 ICEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1358957757 ZTAARGNYQUBDOQ-VQIMIIECSA-N 444.561 0.882 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cncn2)CC1 1359178922 GRMVFERSKBGKIG-INIZCTEOSA-N 436.542 0.305 30 10 ICEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1479357373 MSWOJVXATHGJAQ-UHFFFAOYSA-N 431.515 0.586 30 10 ICEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505323315 FIQHZVDTWYFLES-LJQANCHMSA-N 433.472 0.905 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519594878 UVCWTZCRRKSCNE-INIZCTEOSA-N 430.538 0.456 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1540862260 WTEDBSGUZREMHA-UHFFFAOYSA-N 441.496 0.079 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540869032 AAMAPRDODBKVNR-HNNXBMFYSA-N 444.565 0.931 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1540876230 LDCXPJKUAIZYOF-XGHQBKJUSA-N 435.525 0.617 30 10 ICEE COc1ccc(Br)c([C@H](CO)N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)c1 1569347425 BRQMYBFYWMJLTM-AWEZNQCLSA-N 437.250 0.784 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587706579 RFOHRJCRWMSUBI-CABCVRRESA-N 431.584 0.705 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1595577262 MYVOBVYRZSZBJM-GOSISDBHSA-N 442.520 0.727 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN(Cc2ccncc2)CCO1 1596066005 QZAMQUGZNBOQLC-MRXNPFEDSA-N 429.502 0.137 30 10 ICEE Cn1ccn2c(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2c1=O 1625321798 OZBRUEKLKNNAFP-LBPRGKRZSA-N 425.836 0.622 30 10 ICEE CN1C[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1625327245 MVCHGCJHLTVZOX-KRWDZBQOSA-N 428.493 0.680 30 10 ICEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 1631254052 IWMYXGJMPLXOLG-UONOGXRCSA-N 444.506 0.931 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CC1 1669529107 FLDRUAAIYVPJAJ-IYBDPMFKSA-N 436.538 0.312 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](COC)c2ccc(Cl)cc2)CC1 1682638562 RWTAYOYUIIRXHM-INIZCTEOSA-N 428.942 0.865 30 10 ICEE CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1691367129 BJXVLMIADDPNKG-INIZCTEOSA-N 445.549 0.544 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC(OCC)C1 1705557224 RBGSVOXUDPTBEQ-UHFFFAOYSA-N 430.553 0.740 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCS(C)(=O)=O 1705674266 DJCOQPGUHXCTMO-CRAIPNDOSA-N 444.579 0.234 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705907811 YICWPUKTXCGCQQ-CVEARBPZSA-N 428.497 0.377 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705935857 FHYOIWLZPZUXTF-IKGGRYGDSA-N 426.539 0.767 30 10 ICEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1706648048 GWAMFQCVIGPUBR-SJLPKXTDSA-N 437.504 0.968 30 10 ICEE CCN(CCS(C)(=O)=O)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1710169715 WFQFCJYZWSEYRN-VLGSPTGOSA-N 436.538 0.943 30 10 ICEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1722477072 ANICLWANCPUNJG-NSHDSACASA-N 449.375 0.889 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1740548942 CLNSPYOVCCURHV-FGTMMUONSA-N 438.598 0.801 30 10 ICEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740558964 YPLOTEPAEPRRRP-YWZLYKJASA-N 434.518 0.873 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1740625415 NPDNGFITLXYVTI-INIZCTEOSA-N 444.496 0.207 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1746732830 BVHGFCRCQYQLFS-LAUBAEHRSA-N 428.493 0.714 30 10 ICEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCS(=O)(=O)C1 1748804153 DXACQSDXRPUPRH-IRXDYDNUSA-N 444.565 0.714 30 10 ICEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749231435 PUTLTBNEIAMRQO-UHFFFAOYSA-N 446.556 0.536 30 10 ICEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCC(O)CC2)CC1 1749287107 WVZOEKVIBYBQIF-INIZCTEOSA-N 426.587 0.892 30 10 ICEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749402312 LTCDQUCPFKCCOM-INIZCTEOSA-N 444.540 0.605 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1751228855 ARZWWEQDYSRLRX-UONOGXRCSA-N 434.526 0.126 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1760357829 NXDAOZMOWWDUIH-JKSUJKDBSA-N 426.543 0.942 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760529105 XBRNGYCLBCBIRP-JOCHJYFZSA-N 448.568 0.926 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@H]1O 1767922167 UZPDUQLDNNNJSF-GUDVDZBRSA-N 441.488 0.982 30 10 ICEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873595295 WWHGFNAWWFTWJO-UHFFFAOYSA-N 428.493 0.827 30 10 ICEE COCCCn1c(C(=O)NCCN2CCC(C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1889876326 UJESPCSWVIGGAJ-UHFFFAOYSA-N 430.509 0.041 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)n1 2243381495 KUNYASPQLYAPRT-UHFFFAOYSA-N 441.297 0.865 30 10 ICEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248404079 IJFCHFDIYJJHRU-UHFFFAOYSA-N 440.331 0.427 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)n1 2267546740 AUQAGCQXKSLYMC-LLVKDONJSA-N 445.251 0.645 30 10 ICEE C#CCN1C(=O)[C@@H]2[C@H](c3ccc(C(=O)OC)cc3)N[C@@](CCSC)(C(=O)O)[C@@H]2C1=O 247852292 RZRDBZKMAKFHFB-VCAMNPENSA-N 430.482 0.928 30 10 ICEE COc1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(OC)c1O 252637992 XYCSUHCWBVIYOT-UHFFFAOYSA-N 445.480 0.714 30 10 ICEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ncccc2C#N)CC1 619510217 DVLAVKGLIZUFON-OAHLLOKOSA-N 440.529 0.700 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@@H]3CCCO3)c2=O)c1 763433929 GPSVGGDDVWIBRV-INIZCTEOSA-N 435.509 0.964 30 10 ICEE N#Cc1ccc(CN2C(=O)CN(CN3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 802746364 MDABIOXBDYAHSW-UHFFFAOYSA-N 431.518 0.780 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286509456 QSAMTJCSLVUKFY-HUUCEWRRSA-N 426.564 0.936 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286599609 BRIALCJUFJFZHS-ZIAGYGMSSA-N 435.572 0.104 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286819777 VPCRRLDGAIZHMN-JKSUJKDBSA-N 433.538 0.905 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300491739 IKQGBXWXUTZYDI-WBVHZDCISA-N 429.550 0.845 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1300539053 XCQRLDUVTXICDZ-MSOLQXFVSA-N 436.582 0.414 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301502275 FLJNIDJPVWRHAZ-FGTMMUONSA-N 429.477 0.943 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301520404 FWEUKAFONVSTPJ-FCEWJHQRSA-N 434.541 0.799 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CC1 1303403793 HIUAENFHXIHKRB-CQSZACIVSA-N 425.497 0.318 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358927962 PETAWQXJCWRMOP-ROUUACIJSA-N 427.553 0.776 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1358955034 CMRPWIGBDSSZOT-INIZCTEOSA-N 433.538 0.248 30 10 ICEE C#CC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1470366106 KLMBCQBJGSZROO-MRXNPFEDSA-N 426.922 0.860 30 10 ICEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1499725619 WPUOZXLACGSMLD-JVXKUHPTSA-N 443.508 0.759 30 10 ICEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1503371043 DKSFFXHAXYPQCK-MRXNPFEDSA-N 445.549 0.671 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1505136315 GWEVWVPACQPHRL-UHFFFAOYSA-N 429.550 0.994 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CCO1 1505323007 VBBQNJDZXRHUNR-HZPDHXFCSA-N 436.538 0.215 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1508038896 MBVIBGKMBAKOTF-INIZCTEOSA-N 439.542 0.032 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)CCOC1 1509819524 UZAHHYHCQOQQFB-XQBPLPMBSA-N 448.568 0.894 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1517599163 GDWWKOCYHHVSQS-UHFFFAOYSA-N 425.493 0.923 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1539317640 DJGFTYOAHWKVJS-PGRDOPGGSA-N 442.589 0.900 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1540917538 ZAOQOJLAXOEALW-OAHLLOKOSA-N 443.595 0.394 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1588233987 XWEYIDQNFPYXEM-INIZCTEOSA-N 448.574 0.773 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1611686306 DLKMQRUFLGQFQN-DACLVMHWSA-N 442.517 0.668 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1623498982 LNZWBZPVBLPADX-RDPSFJRHSA-N 438.528 0.929 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2coc(-c3ccc(OC)cc3)n2)CC1 1630723858 KBKMTTSZCVBBCR-UHFFFAOYSA-N 447.517 0.688 30 10 ICEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1639178775 HXMGNITYIRTZCQ-KSSFIOAISA-N 427.523 0.535 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 1655706883 JMTWTXFDYFNGJU-UHFFFAOYSA-N 428.352 0.954 30 10 ICEE C=CCONC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1672757834 YMQHPCVSJMNYEQ-UHFFFAOYSA-N 430.870 0.804 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1685264818 RSVRVZQXOCGQNC-INIZCTEOSA-N 435.506 0.708 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1690077625 SLRJPEHVSIZKIE-QGZVFWFLSA-N 448.549 0.913 30 10 ICEE O=C1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1698527045 OMDDPWGREKUSQR-FMQUCBEESA-N 436.476 0.117 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1705566823 QRHFARPZIPRROS-OKQSBHACSA-N 426.564 0.773 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCS(C)(=O)=O 1705674267 DJCOQPGUHXCTMO-MAUKXSAKSA-N 444.579 0.234 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705737233 MKXZWGFPHFCPFI-FUHWJXTLSA-N 434.566 0.949 30 10 ICEE Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1707865473 FYMZEIGITHCMBZ-HNENSFHCSA-N 449.471 0.845 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1722361719 OQPYXSBHOJQNEZ-OAHLLOKOSA-N 432.506 0.742 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722365886 FRFWXQBKMVZETR-DLBZAZTESA-N 437.566 0.919 30 10 ICEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722544021 OWSVPDPLFVAFOF-UHFFFAOYSA-N 425.921 0.342 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCCC)CC1 1722566491 SKKVLXGWCAMXJZ-HNNXBMFYSA-N 426.543 0.294 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1722729333 ZARBMPMEJXBWKM-CVEARBPZSA-N 446.595 0.642 30 10 ICEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740720886 QIXRYHOTJPHBIQ-UHFFFAOYSA-N 427.578 0.841 30 10 ICEE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741062846 HFUSPFUZQREXEA-CWFNNOHCSA-N 429.481 0.325 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1748852837 NMKFMULUFJMTMT-UHFFFAOYSA-N 444.543 0.754 30 10 ICEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748922817 MZVKXVJGKTZLKP-HXUWFJFHSA-N 442.501 0.603 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1748929872 RJBFMQUFIVOGAS-ZACQAIPSSA-N 425.555 0.886 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)C)CC1 1760265755 INXCMYFWHINSMU-JTSKRJEESA-N 432.569 0.846 30 10 ICEE CO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771322176 ZIEJAEGQWGBUHD-OHTQGHCMSA-N 429.481 0.266 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2022805482 ASGGMYUYVBSORQ-HCXYKTFWSA-N 430.505 0.564 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCCC12OCCO2 2282855749 IUNWICONZULNAA-CQSZACIVSA-N 427.332 0.683 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCCN3C(=O)[C@H](O)CO)C3CC3)nc2)OC1(C)C 204875916 FKQWFPNBAFQESW-ZWKOTPCHSA-N 446.357 0.479 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440385181 XKUHBGLHFKNDHE-MRXNPFEDSA-N 426.498 0.973 30 10 ICEE COc1cc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 461344253 SNDCFMNLDLRRLK-AWEZNQCLSA-N 430.490 0.372 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 508828768 WZOOWDJTDGIERC-QGZVFWFLSA-N 435.554 0.915 30 10 ICEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 520480079 ORQUZDNYELFBQQ-LJQANCHMSA-N 436.534 0.683 30 10 ICEE N#CC1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCOCC1 524541916 SUMKCOVRRLZHHF-UHFFFAOYSA-N 444.307 0.991 30 10 ICEE CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706799 PTHCMVCGQJWVHA-KRWDZBQOSA-N 433.534 0.902 30 10 ICEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c[nH]1 753361366 ZWVMDYYMRMZOPY-CQSZACIVSA-N 429.498 0.932 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCN1CCOCC1 767956729 WUVLVHRGGMPYJQ-UHFFFAOYSA-N 442.541 0.257 30 10 ICEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783943579 VDBFSKKFOQCEQL-UHFFFAOYSA-N 443.554 0.831 30 10 ICEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)c1ccc(Br)s1 1134428977 JSUFXFZDZDYFCL-ZUZCIYMTSA-N 446.348 0.979 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)cc1 1169737724 YHJKMCNRYGDWCR-ZWKOTPCHSA-N 433.486 0.941 30 10 ICEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1170127729 LHJIZNSNIAEUOE-CYBMUJFWSA-N 435.447 0.910 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1286592545 KKCREUFNMRYDJQ-KRWDZBQOSA-N 440.570 0.634 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)CC1 1301483162 IQNJIDSJRMLTDY-UHFFFAOYSA-N 441.355 0.917 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301588862 KVRCYVFFTXKAOC-RDJZCZTQSA-N 436.538 0.694 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1Br 1306455595 ZFPQZVSGOKKNFM-KGLIPLIRSA-N 428.308 0.236 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358956057 ZBXQYCOPOCGMQA-ZWKOTPCHSA-N 448.593 0.625 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359028105 HLGTYCYHQYELHA-OALUTQOASA-N 431.585 0.671 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359029484 YVCHZSRZONAOPN-ZWKOTPCHSA-N 439.520 0.732 30 10 ICEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCN(S(C)(=O)=O)CC1 1435531169 YHZNIUOWFZVSHH-KRWDZBQOSA-N 447.517 0.646 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 1464364888 NIBMYSSYTQEBQR-UHFFFAOYSA-N 449.938 0.209 30 10 ICEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)C1CCOCC1 1470868349 XYWYJAXISZUDQO-BQFCYCMXSA-N 428.555 0.096 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)CC1 1471450490 BCSQDQHCSLOURF-CQSZACIVSA-N 434.584 0.245 30 10 ICEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCOC1 1472191955 OIUQIQBIIBITEV-GDIGMMSISA-N 427.523 0.705 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOC)CC1 1507739040 LFTOJFGPXIKPMV-QGZVFWFLSA-N 437.566 0.573 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1510224280 PCQKKDLSUCARHG-SCLBCKFNSA-N 436.494 0.397 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1517354353 UHUBTYGIMZGGFA-BAEHRGANSA-N 429.481 0.371 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)C1 1521062244 BGDJAYWLVNDQBF-GPMSIDNRSA-N 440.545 0.469 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1521101884 KQVHVGRMZIEGIG-RYQLBKOJSA-N 426.477 0.580 30 10 ICEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1521120851 BOCUFTGQJJKZHC-FMQUCBEESA-N 438.492 0.667 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1540074220 WTBJQBNBXRPICN-INIZCTEOSA-N 436.538 0.463 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1545928620 FRACTJKCKRLGBH-RDJZCZTQSA-N 447.540 0.420 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1587909205 GKRSDWJEEYEWMR-INIZCTEOSA-N 425.603 0.231 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H](C)C2)CC1 1588813786 ZYNLYLSMHWOGOB-RTBURBONSA-N 434.610 0.667 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)C1 1595723065 QOSWLFPNXPVZJA-JKSUJKDBSA-N 425.555 0.876 30 10 ICEE COCCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616336480 OWZSANAKMORYSG-MGPUTAFESA-N 430.486 0.908 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(C#N)c1Br 1629884871 IEMTWDYIVAPEHL-JQWIXIFHSA-N 435.234 0.629 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2=O)cc1 1640128223 GRKISNZMGYUHGB-GUDVDZBRSA-N 425.489 0.821 30 10 ICEE CNS(=O)(=O)NC1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1671874156 BMJLQEJLEOYFTB-UHFFFAOYSA-N 436.538 0.871 30 10 ICEE COC(OC)C(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672358043 NWPYWFRQHBQVOF-KRWDZBQOSA-N 429.477 0.132 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1689994443 YGLFGWUFEJRXEQ-KRWDZBQOSA-N 430.534 0.369 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CCOC)c1 1690189992 IIYJZROPCDRJHU-HNAYVOBHSA-N 435.554 0.772 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C(=O)NC)C1 1690237826 BBZGKPWYRHSGEX-MLHJIOFPSA-N 437.541 0.935 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)CC1CC1 1692774290 GCLDGUYTVBPNGV-ZDUSSCGKSA-N 444.583 0.453 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)C1 1692845668 HGCPQKATWHNKFJ-FQEVSTJZSA-N 429.525 0.813 30 10 ICEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O 1696879935 AWFDRUJHLGWNOQ-UHFFFAOYSA-N 444.517 0.035 30 10 ICEE COCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1697921680 ABXPGDMIBLQRGE-UZLBHIALSA-N 449.533 0.865 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705516613 FSPSLAKMMPLXEE-HZPDHXFCSA-N 428.580 0.997 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1722704897 ZAOFOCWREXFXEW-UWJYYQICSA-N 445.524 0.334 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1740723134 JXTOWIORRMNBFB-LHSJRXKWSA-N 436.476 0.906 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740959338 SFXHQCUWKHQWDH-UHFFFAOYSA-N 435.510 0.098 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1748717928 LXKQYFXPMXOAHO-SJORKVTESA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748817475 LFJAEPWTOVVVEB-MRXNPFEDSA-N 442.607 0.928 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CCOC)CC1 1749015776 MWUGAYJFOBMZPY-JOCHJYFZSA-N 446.552 0.154 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1 1749136215 KVEYESABMNYNGI-UTKZUKDTSA-N 446.552 0.677 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749669936 MKJPLSFZEIJDOB-KGLIPLIRSA-N 431.522 0.874 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749677801 LDQSVPAJJJEMRM-SJORKVTESA-N 426.525 0.689 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749745347 ZGHWNGVAJJEYFG-STQMWFEESA-N 437.613 0.431 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCO2 1751231807 GYCDTVNGBZDNAA-JSGCOSHPSA-N 434.478 0.394 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1760115998 DJSLWMFGYHLJRC-CDXJDZJCSA-N 447.561 0.977 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760186617 DXJZIWKNMCGUSI-UONOGXRCSA-N 434.547 0.669 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1760232717 CLYSBWSUWDMBQO-RTBURBONSA-N 436.626 0.913 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1760243336 GNHFUVWIRLYHAE-UHFFFAOYSA-N 432.569 0.835 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C)CC1 1760265757 INXCMYFWHINSMU-VGSWGCGISA-N 432.569 0.846 30 10 ICEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1760566404 SLMZKAMABLCWOA-YOEHRIQHSA-N 444.558 0.972 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770728779 VXIQXLUCQIVDJN-DNCJFXNASA-N 442.455 0.482 30 10 ICEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCO)cn1 2158599724 BHYIEIAUHZGRHK-UHFFFAOYSA-N 428.470 0.885 30 10 ICEE CC1(C)OB(C2(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)CC2)OC1(C)C 2255649953 AEZOEWUGCJPXQY-MNOVXSKESA-N 433.236 0.994 30 10 ICEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256628970 OYFDRKUKIOAUKJ-UHFFFAOYSA-N 434.302 0.960 30 10 ICEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 251269501 NOJZOXJDMCEJQN-LAUBAEHRSA-N 446.529 0.083 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 514646405 XFNMWAXZJAWFNE-INIZCTEOSA-N 428.514 0.140 30 10 ICEE CNC(=O)c1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 534606341 POGRDPRMYYIDEL-UHFFFAOYSA-N 442.497 0.830 30 10 ICEE C[C@@H]1CN(CC#CCN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC[C@@H]1N1CCN(C)CC1 551394758 OSJFKMPLGCRKCU-XPGKHFPBSA-N 444.712 0.905 30 10 ICEE N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CCN1Cc1ccccc1 554269327 MAVZLLQQDMMTAG-OAQYLSRUSA-N 448.527 0.771 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(Cl)cc2S(=O)(=O)N(C)C)C1=O 765045811 FNQRXKWSJKAMJF-UHFFFAOYSA-N 429.838 0.473 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)CC1 1152967943 VXTZZMYETRNHRL-LJQANCHMSA-N 446.573 0.994 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1286463280 CXSTUPIFMYAPGR-HXUWFJFHSA-N 434.518 0.589 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1300538453 QNPZPQLHTUVRNN-GOSISDBHSA-N 445.549 0.279 30 10 ICEE C#CCSCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1300777869 FSIQKPZNHWVLKD-QINHECLXSA-N 438.550 0.657 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1 1301391601 IHXSGCIJUAZMLM-UHFFFAOYSA-N 427.479 0.867 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301491850 OTOGTWCLUILNCD-AWEZNQCLSA-N 436.513 0.857 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)sc2C)CC1 1309802477 UJLMPVYRDJNMBN-UHFFFAOYSA-N 442.382 0.593 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358949082 SGCBVZQMJCWZSI-LSDHHAIUSA-N 449.499 0.903 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1 1460756067 OXMBNQLOUGUENO-UHFFFAOYSA-N 436.534 0.490 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)CC1 1471451730 XMHIBLMWAZRSDX-LJQANCHMSA-N 432.546 0.669 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 1478050774 GACSDLZDVFGLDF-WMLDXEAASA-N 449.533 0.652 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507750431 VBNIZNMKCJVORF-SFHVURJKSA-N 440.577 0.844 30 10 ICEE C[C@@]1(C#N)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCO1 1538538512 ZFTJTAMGALVQEQ-HXUWFJFHSA-N 446.485 0.716 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540004563 BAXYZBVIPXLLNH-ILXRZTDVSA-N 441.510 0.691 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1587909219 HAEVBJWPULAKJG-LLVKDONJSA-N 446.459 0.879 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 1588199641 VQSGWRKDGGGSFY-MNDPQUGUSA-N 442.497 0.662 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1588574257 BKUISHOEVWXQDB-HOTGVXAUSA-N 425.555 0.791 30 10 ICEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1630710796 XNJRVMIGVLOXIY-RXVVDRJESA-N 445.545 0.435 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 1632960896 PRADNYSAZJQCKL-JKSUJKDBSA-N 428.555 0.682 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)cc1 1637895596 WIFUZQIEIMTDDF-UHFFFAOYSA-N 425.513 0.778 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1651694663 RQIBFCGIOBIQMI-UHFFFAOYSA-N 427.482 0.749 30 10 ICEE C=CCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653202 HRXMBWGTXSNMLO-OAQYLSRUSA-N 432.525 0.387 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690677422 WQZZPIFYCBYULA-NRFANRHFSA-N 434.541 0.680 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1690722573 NVGGXHOLYOGVLO-UHFFFAOYSA-N 445.549 0.935 30 10 ICEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705526473 KRONANOXZZKOAZ-UHFFFAOYSA-N 435.492 0.702 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1705700616 WILLBTZDYUXVNB-ULQDDVLXSA-N 437.566 0.863 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1705900975 WGXOZJNPQUDPEA-UHFFFAOYSA-N 430.557 0.775 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705930371 LNILSWGVZTXHOH-MRXNPFEDSA-N 438.598 0.791 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1706830701 MQIHHGJKLLTWGK-PVEMMZBWSA-N 438.554 0.971 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722370805 DXGWVYTVTIQRSC-GOSISDBHSA-N 442.549 0.548 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722529160 PPFWBNDRCYOWQT-KBXCAEBGSA-N 428.559 0.443 30 10 ICEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1728815797 GNNVRSZUJGHGFN-LPHOPBHVSA-N 439.538 0.484 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1740653794 YOZRQNKCNAMQCA-HXUWFJFHSA-N 425.581 0.966 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740887308 FYEGRDICEZBTND-WMZOPIPTSA-N 434.566 0.949 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C(C)=O)CC1 1748656296 PSMSZVGRCAZQLE-KRWDZBQOSA-N 448.535 0.543 30 10 ICEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760137162 PFZSLEKAFMMAEK-CABCVRRESA-N 425.497 0.565 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1772564548 BLQPCUCQUFFRJW-KRWDZBQOSA-N 435.554 0.743 30 10 ICEE C[C@H]1CN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCN1S(C)(=O)=O 1854242369 PLPOQKOGHKZTRW-LPHOPBHVSA-N 432.546 0.832 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)cc1 1855845276 QIRBYOZTOGHQBF-CQSZACIVSA-N 444.435 0.944 30 10 ICEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1CCOc1ccc(C#N)cc1 1855880286 WODSJTBQCAUNAR-MAUKXSAKSA-N 434.518 0.420 30 10 ICEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCS(=O)(=O)C4)C3)CC2=O)c1 1856403522 VLYOBVXZUNDSGG-PKOBYXMFSA-N 430.530 0.352 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)CC1 1889438930 OCNXDOLKKDAMTI-UHFFFAOYSA-N 438.528 0.541 30 10 ICEE C=CC[C@@H]1COC[C@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2344310016 JDYXTERSBJQQFM-BRWVUGGUSA-N 426.491 0.965 30 10 ICEE CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 513908713 CXURIWDZBVZMFV-UHFFFAOYSA-N 445.505 0.381 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)n1 682874656 AYKGYIVGDNFCHL-UHFFFAOYSA-N 426.498 0.274 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1=O 768916074 RAUOQXXYEKPNRV-UHFFFAOYSA-N 439.516 0.812 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1C#N 786085089 UELPTPKURBSJCY-UHFFFAOYSA-N 430.486 0.750 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)C1CCOCC1 1141122872 BWJZVHXZUZSRAX-UHFFFAOYSA-N 443.547 0.215 30 10 ICEE N#Cc1cccc(C2(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCOCC2)c1 1147811007 RGQWNUFVSCSTLF-FUHWJXTLSA-N 431.514 0.716 30 10 ICEE CCOc1ccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OCC 1156670810 YWDJIXSBWZYACB-YWZLYKJASA-N 435.502 0.611 30 10 ICEE N#C[C@]12CN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@H]1CS(=O)(=O)C2 1179652145 PFARXPZKHRBQFH-HNAYVOBHSA-N 437.543 0.457 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)c(OC)c(OC)c2)CC1 1251674481 HETNXYSHRLRVAK-UHFFFAOYSA-N 430.914 0.652 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286392744 NEHKDBDFKDECIN-KRWDZBQOSA-N 430.534 0.415 30 10 ICEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNS(C)(=O)=O 1286569450 QCMYZAZSMYHOAS-UHFFFAOYSA-N 431.526 0.872 30 10 ICEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286693159 MPJZALASQCBUGG-HOTGVXAUSA-N 440.570 0.682 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286830259 KNLSCXFALJYEBL-KRWDZBQOSA-N 447.609 0.893 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCNS(C)(=O)=O 1291194771 DMIBGPXMHZDOKF-CQSZACIVSA-N 445.553 0.157 30 10 ICEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)N1CCOCC1 1293112943 AJAFVWVUEOZBAR-DLBZAZTESA-N 425.541 0.938 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1300541611 YZEWWDCROFUSRP-UHFFFAOYSA-N 437.529 0.625 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)C1 1301556201 GHKZFFUNRQFKNE-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301595389 TUJYZATYGIPTRE-KFWWJZLASA-N 442.611 0.770 30 10 ICEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1303792787 QHLNWEPSXOGBEI-UHFFFAOYSA-N 448.589 0.849 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358956413 FPEGTHKNZMMKIT-IXDOHACOSA-N 426.539 0.808 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1358978059 CEQLTKNKMKSNQH-DYESRHJHSA-N 449.577 0.625 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 1470194681 YEOWVMUCIOMRSS-HZPDHXFCSA-N 433.534 0.148 30 10 ICEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1470960295 WOEHNMYPBISUJW-KRWDZBQOSA-N 437.518 0.918 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCCN(C(=O)CNC(C)=O)CC3)ccc2c1=O 1470994532 OGUUZEUERGYEMN-UHFFFAOYSA-N 443.529 0.682 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)CC1 1471451461 TUDGEKTXTJTIDT-CYBMUJFWSA-N 434.440 0.945 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507715611 FDLDNXQIQKLTNF-BGYRXZFFSA-N 443.596 0.769 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508077643 PFMQYFYBZPDYAT-OAQYLSRUSA-N 441.492 0.963 30 10 ICEE C#C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1528153997 UIZPSXLDIGGDSW-DLBZAZTESA-N 433.530 0.931 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539141674 XEORSFDFDUXBAL-QFIPXVFZSA-N 432.569 0.990 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1539267159 WWJVTALMXCSTKM-ZWKOTPCHSA-N 434.566 0.168 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1539369486 LTHOSICZISKCIL-LSDHHAIUSA-N 445.636 0.919 30 10 ICEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 1558464830 OWQHJTXAAVODQA-MOPGFXCFSA-N 426.521 0.537 30 10 ICEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1595392859 BTCLBXLEIIBDGZ-HNNXBMFYSA-N 426.543 0.292 30 10 ICEE CC(C)Cc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606690112 WIIJEVDYYXIDFM-GAVQXBFOSA-N 441.536 0.965 30 10 ICEE C#C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1625165104 FDJYZGXRSBZYSV-FZMZJTMJSA-N 431.308 0.093 30 10 ICEE N#Cc1cn(CCC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(=O)nc1O 1627462255 CDOJPGMQYOJYGR-UHFFFAOYSA-N 441.879 0.856 30 10 ICEE C=CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H](C)COC 1628483487 DQGCSYKKXOIEEW-KRWDZBQOSA-N 425.555 0.766 30 10 ICEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1637390687 WZOQZQAJUKEHAD-HNNXBMFYSA-N 443.547 0.979 30 10 ICEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1641873379 QRCVGWQLPIOGPP-UHFFFAOYSA-N 434.562 0.601 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccncc2)c1 1642925855 KENJMXUFKILTOO-ROUUACIJSA-N 433.486 0.941 30 10 ICEE C#CCN(C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCS(=O)(=O)C1 1660319010 WJMZKLAZJOSMCR-CABCVRRESA-N 428.536 0.514 30 10 ICEE C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1662023907 LOYQCUACAIHATI-AUUYWEPGSA-N 439.490 0.926 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1692580621 AEMUIWQZKMERBE-SJORKVTESA-N 430.506 0.310 30 10 ICEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705561963 WESWWYGEWYOIBI-INIZCTEOSA-N 446.489 0.568 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCCOC)CC1 1705637884 POWCEFIHCGMNBG-UHFFFAOYSA-N 434.504 0.959 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705661544 DRVYFBKTQLGCLQ-AWEZNQCLSA-N 439.563 0.625 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705904772 YEJXLWPIIHHVCT-UHFFFAOYSA-N 440.552 0.989 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1722294206 GVCGXHVYUNAJPV-KDOFPFPSSA-N 449.533 0.831 30 10 ICEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1722351769 CJVUMVJYDQQRJQ-UHFFFAOYSA-N 445.487 0.897 30 10 ICEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1722703790 IBIDKZHKGXLREX-JQWIXIFHSA-N 444.468 0.711 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1722736826 JYJRNYIAVKQHTA-VYDXJSESSA-N 441.554 0.270 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)(C)C)CC1 1740694398 ISNRHKVRFPZWQT-UHFFFAOYSA-N 441.536 0.923 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740899714 GUJSEFUCNPOJTD-GJYPPUQNSA-N 441.554 0.571 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)C1 1740980091 HUKMEXNGDRZKKO-HZPDHXFCSA-N 425.555 0.878 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1749666864 RJIGUYYFGPPFRJ-UHFFFAOYSA-N 441.517 0.063 30 10 ICEE CC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749964195 REGKSISCUMHCFM-LZICOFPGSA-N 443.508 0.413 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760279438 DHUSQGAMTZOEHT-OAHLLOKOSA-N 435.579 0.867 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1766244784 BYGCXLNWAMASEU-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cn(C3CCSCC3)nn2)C1=O 1854160665 KEKFRGLELYJHIE-IRXDYDNUSA-N 432.550 0.806 30 10 ICEE CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486513096 BCQWOQIJONBCCN-HXUWFJFHSA-N 440.548 0.901 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOC(C)(C)C1 508913505 OTVYJDDTDSRMMY-MRXNPFEDSA-N 442.586 0.344 30 10 ICEE CC1CCN(CCNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 514310422 XUBHNWHFLFDMPU-UHFFFAOYSA-N 447.561 0.239 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 537258980 MGJNLXXMBBYBEC-OAQYLSRUSA-N 442.539 0.454 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(C)C 538497885 VKIXKGUNEOVVNL-UHFFFAOYSA-N 430.530 0.544 30 10 ICEE N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 732910649 RMSOSBPMPJNSPH-ABAIWWIYSA-N 425.413 0.284 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cn1 735068126 DOCRTDHMKPTMMX-UHFFFAOYSA-N 440.573 0.565 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C\c2cnccn2)CC1 740966616 VDCQJEBKWXTWLW-WAYWQWQTSA-N 441.469 0.438 30 10 ICEE CNc1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 770041536 OVGRXVZKOYDEPV-UHFFFAOYSA-N 449.514 0.746 30 10 ICEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286385283 MEJGZHHOYXPGHV-ZACQAIPSSA-N 442.538 0.044 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1286429513 CBZFCOICKVKOIZ-QYZOEREBSA-N 449.577 0.625 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286438518 ZVXMDQXAWOWMBZ-APWZRJJASA-N 425.555 0.671 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](COC)OC)CC1 1286484386 JSUCKJZIVYSCIR-INIZCTEOSA-N 432.550 0.686 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCC[C@H]2C)CC1 1286485780 XYYDQUAPZWHLJL-OPAMFIHVSA-N 430.553 0.933 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286792008 JSKMORGIZGTHTF-KRWDZBQOSA-N 428.493 0.419 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793387 XCGHZFPTBYWAKH-UWJYYQICSA-N 434.541 0.726 30 10 ICEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1286864964 YBDOMTFRVPOSOP-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1COCCO1 1288840004 FTDTUPRLCDBUCI-MPGHIAIKSA-N 426.543 0.824 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1299359549 DZMIDOOQKJOTOH-KRWDZBQOSA-N 449.577 0.138 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300319639 CQIXRHKETJQRMK-QRWLVFNGSA-N 429.502 0.736 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1300874772 NWAFGPSFWHLCDS-YVSFHVDLSA-N 443.570 0.721 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301483662 STUQMCRVCNNCFQ-AWEZNQCLSA-N 428.493 0.966 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962379 OVXSQJUEOWYQMT-MRXNPFEDSA-N 430.534 0.754 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC(O)CC2)CC1 1359031075 OWRLOXVIBLEUTE-HSZRJFAPSA-N 446.596 0.532 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1359033816 RMXFLPXERDNJBJ-UHFFFAOYSA-N 432.525 0.875 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359043939 OORHSFLPBUYSSW-HNNXBMFYSA-N 445.549 0.079 30 10 ICEE CCOc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1470402204 AMHPZIRMQJIZCO-HNNXBMFYSA-N 444.517 0.763 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(C)c2)CC1 1507736027 JXNZSXAQIGAUAE-MRXNPFEDSA-N 429.525 0.750 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1508131635 OETWFMFUNXAQLV-AWEZNQCLSA-N 447.583 0.106 30 10 ICEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1508704012 WBKOYAFZTYIRMY-XUWVNRHRSA-N 445.524 0.914 30 10 ICEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1517314879 DFHIXJRSIHPSKU-HNNXBMFYSA-N 433.513 0.996 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1531182045 RNYJWEUSZDRASX-UHFFFAOYSA-N 438.282 0.696 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1540908339 FUWZVIWXHCXQTR-UHFFFAOYSA-N 447.627 0.942 30 10 ICEE C#CC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C(=O)OC 1626187811 JDYLNDAMVFMJTB-HUUCEWRRSA-N 428.894 0.554 30 10 ICEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1647951494 FQCFQYMWLNQTJA-KDOFPFPSSA-N 434.543 0.996 30 10 ICEE Cn1nccc1CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1648845381 OUCBRRBCTCPJLW-LJQANCHMSA-N 435.488 0.841 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 1650845946 BVEKOFXAJJKKBE-MRXNPFEDSA-N 438.575 0.667 30 10 ICEE C#CCN(C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1682263489 PXSWNQIYKRJANU-HOTGVXAUSA-N 439.509 0.571 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1689930065 KELYHVIWQJGFNV-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690301873 ZZIOMXOYIOJVIG-KKUMJFAQSA-N 426.543 0.196 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)C1 1690686230 KWDCNMCQFATUCR-ZKDVCIDWSA-N 445.611 0.971 30 10 ICEE CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692235731 QLGAFQLJDUEAQM-RAJOGRCSSA-N 442.524 0.559 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696309957 KNJLQICYSFNCNR-JVMRMLDLSA-N 445.524 0.694 30 10 ICEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705516892 KQHBZAQYSMAQOQ-KRWDZBQOSA-N 428.537 0.903 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCCC2)CC1 1705632767 BAGWTFFQBAXISZ-ROUUACIJSA-N 437.614 0.375 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705661897 LCMGOSZLGDKNCU-CABCVRRESA-N 430.538 0.680 30 10 ICEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705738082 KEKDOZVJCJSMJQ-KRWDZBQOSA-N 425.493 0.004 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705904934 CXJGXUJQLOQUCQ-INIZCTEOSA-N 427.484 0.866 30 10 ICEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1710972130 CKDAAFJNSVSGQS-PKOBYXMFSA-N 440.552 0.955 30 10 ICEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1730763160 CYWCJXBEOAYYKG-MRXNPFEDSA-N 438.554 0.592 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2(O)CCC2)CC1 1740708206 GRZQSAYAABBBNH-UHFFFAOYSA-N 428.537 0.671 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1740785780 BKSTVNNKBXQQNG-OAQYLSRUSA-N 434.541 0.680 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740951360 WPTLZCJOTKZNKU-KRWDZBQOSA-N 431.541 0.117 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740957452 ONFSTAIZGNZKPD-APWZRJJASA-N 440.552 0.564 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CCO1 1750023052 IMAJZAVUXHTJMS-QGZVFWFLSA-N 427.465 0.255 30 10 ICEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCN1S(C)(=O)=O 1750350254 DTAFWESIQRTQBR-HNNXBMFYSA-N 445.549 0.765 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760188501 AXPSGCSCHPDTNK-YLJYHZDGSA-N 449.602 0.624 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1760205953 NWDVMNRWDDGMHI-GOSISDBHSA-N 431.493 0.871 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CC)CC1 1760269300 DWJLJJQOFGAWKV-UZLBHIALSA-N 437.566 0.307 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1760548587 LGJIPWUQWVLKEW-CQSZACIVSA-N 444.583 0.619 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760558346 MQBALOIPWKIMOS-HNAYVOBHSA-N 441.554 0.198 30 10 ICEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769331518 QDFDQPNLCIHNHP-HOTGVXAUSA-N 439.524 0.685 30 10 ICEE CC(C)N1C(=O)CS[C@H](C(=O)NCC(=O)N2CCOCC2)[C@H]1c1ccc(C#N)cc1 1892256632 URZAHFAXOFOTJL-UXHICEINSA-N 430.530 0.927 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255873753 NVACRSPZKFEUEZ-MPBGBICISA-N 433.318 0.854 30 10 ICEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267537116 OGXXQLOGHWNSAG-WDEREUQCSA-N 445.251 0.643 30 10 ICEE O=C(NCCCN1CCOCC1)c1cccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 20354718 BKFMGRYXJZKXIB-IAGOWNOFSA-N 438.575 0.628 30 10 ICEE N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccccc2)c(=O)n1C1CCC1 430968378 AEZZZMFENJQULY-UHFFFAOYSA-N 443.550 0.395 30 10 ICEE C[C@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483258893 AOHFNPOCDIKGID-WBVHZDCISA-N 429.477 0.927 30 10 ICEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nnc2n1CCC2 521719503 HVKPAGUZVSYHAH-CQSZACIVSA-N 429.506 0.873 30 10 ICEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 584535101 QYZLLEJOADVAAF-UHFFFAOYSA-N 434.500 0.755 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 619831594 ZXEFNMGXMVHUGN-CABCVRRESA-N 427.527 0.577 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 669810811 NGURMZRHOAWJCR-VXGBXAGGSA-N 425.433 0.565 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 768470776 IWRCZFJHKHYBOL-ZBFHGGJFSA-N 429.539 0.301 30 10 ICEE C#CCN(Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 768932563 WFBLZIYDZMOYOJ-GOSISDBHSA-N 436.530 0.555 30 10 ICEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 795469103 YGPTWFGLVDYGGK-UONOGXRCSA-N 447.922 0.628 30 10 ICEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 837799519 HWONSTDPISUYDO-MRXNPFEDSA-N 443.573 0.714 30 10 ICEE Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(=O)n(C)c1=O 916180670 VQVXOZTXYKHJBX-GQCTYLIASA-N 442.375 0.493 30 10 ICEE OC[C@H]1O[C@H](O)[C@H](/N=C\c2cc(Br)cc(Br)c2O)[C@@H](O)[C@@H]1O 1088671018 AJCJVHXXQZKPHR-MHTZFVKVSA-N 441.072 0.136 30 10 ICEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)CC1 1197202036 KXGZUAUCQFZFGB-SVFBPWRDSA-N 429.496 0.514 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286389885 SCWRLKMJECCUPV-XYJFISCASA-N 446.533 0.413 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1286783726 KDLQJPGHGAVWMR-OAQYLSRUSA-N 426.477 0.720 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1300486831 CCXGWFXWHGIOQV-QGZVFWFLSA-N 433.582 0.893 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1300487517 KIKHJMLUYGVHMJ-IXDOHACOSA-N 431.518 0.507 30 10 ICEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N1CCOCC1 1300625599 IIXNGCSLHNFQJD-UHFFFAOYSA-N 438.536 0.770 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301520381 FPQTVGMCEONFSG-HZPDHXFCSA-N 438.554 0.436 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358961306 WEKDELCNRIOYQX-HNNXBMFYSA-N 431.522 0.134 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1360248995 ZDBDELMHWFYVGC-NVXWUHKLSA-N 427.513 0.548 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 1469223981 ONLAHFUVUYSGHF-IBGZPJMESA-N 447.561 0.015 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1507626427 AGOOLFBPSMSLSB-KRWDZBQOSA-N 434.566 0.489 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1519528511 DIPLTNCKGJGECE-HZPDHXFCSA-N 436.563 0.941 30 10 ICEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1548041825 DMDQCMFBOSMMIR-GENZYMQKSA-N 440.504 0.970 30 10 ICEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1565697618 HYEISVHNNKMQMB-DOTOQJQBSA-N 430.509 0.050 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1594661388 TUVRUHRMLUFGRE-VGOFRKELSA-N 446.552 0.822 30 10 ICEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1618108032 AOZYPCFFKKCYTA-PVHMMBIOSA-N 443.508 0.618 30 10 ICEE N#C[C@]12CN(CC(=O)NCc3ccccc3CN3CCCC3=O)C[C@H]1CS(=O)(=O)C2 1620635378 LWWJPTJKQARQNR-GHTZIAJQSA-N 430.530 0.295 30 10 ICEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821329 DBKUJHBVKSFOEH-YXUGBTPSSA-N 427.523 0.798 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(CNC(=O)C(F)(F)F)C3)C2=O)cc1 1644227214 DUCSGOJXHREQDA-AWEZNQCLSA-N 437.378 0.900 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1 1659271985 PTBFLSVLJBWQBF-UHFFFAOYSA-N 433.490 0.266 30 10 ICEE C=C(C)C[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1674219573 WJNCAINTJVGJCV-KRWDZBQOSA-N 440.566 0.773 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](COC)OC)CC1 1690148841 WWTDFDQWISYONO-LJQANCHMSA-N 426.521 0.891 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCOCC2(C)C)CC1 1690154495 PBDMJADVDRUALJ-UHFFFAOYSA-N 432.569 0.891 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1690674757 DJEWGRKVVWPEON-INIZCTEOSA-N 440.504 0.979 30 10 ICEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCOCCS(C)(=O)=O)CC1 1705784544 ZSWKHDGJFOSEKR-UHFFFAOYSA-N 425.555 0.864 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1722369963 JQMVMHDVSPNTMA-IAGOWNOFSA-N 425.555 0.335 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)CC1 1722438007 RPOGOPOPTZNVCT-QGZVFWFLSA-N 445.545 0.698 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722444380 IWRAENMNHLBWQB-INIZCTEOSA-N 428.459 0.815 30 10 ICEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 1722707639 VFMGCMCOGMMFQL-MRXNPFEDSA-N 431.518 0.730 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NCCC)CC1 1740700775 HPYLMVUOGWJGHC-UHFFFAOYSA-N 431.541 0.298 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1740950631 BHBANBJKKAVLNT-INIZCTEOSA-N 431.541 0.700 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1741119512 QWMLXQTZZPJFGZ-LJQANCHMSA-N 439.520 0.776 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1748891600 BCEYXEGLDJPEES-GOSISDBHSA-N 449.577 0.769 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749019977 HLVCVEIGMQOGHZ-UHFFFAOYSA-N 433.538 0.303 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1766724876 HALGIMHOGAUAFG-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1770051904 PZNNZULTIFFTHD-OWCLPIDISA-N 427.527 0.556 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2298378690 QUJSMCGWQUKXTB-QTVXIADOSA-N 426.319 0.926 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 512726635 ZQUDSMXSWLERDS-MRXNPFEDSA-N 429.546 0.580 30 10 ICEE N#Cc1cc(N2CCN3CCOC[C@@H]3C2)cc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] 542525529 MHAMWSIPPSVUSZ-OALUTQOASA-N 428.493 0.508 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cs1 590915186 VKNUWXUZTSAQBR-HNNXBMFYSA-N 446.554 0.216 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 603797733 GCHBZRHVQDYCCT-HNNXBMFYSA-N 440.481 0.802 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 609764830 AEVCIGKCCBIGSS-UHFFFAOYSA-N 449.488 0.893 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1F 805248661 OYVZBMKEWMCWQX-CQSZACIVSA-N 448.542 0.291 30 10 ICEE COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1171306287 GLTREKSHKHHCOR-JKSUJKDBSA-N 433.534 0.211 30 10 ICEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC 1175230549 XFNPTHAZIPDKGC-HOTGVXAUSA-N 437.518 0.992 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1286376295 JCVNPLMKRHRDSX-HNNXBMFYSA-N 438.579 0.942 30 10 ICEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1298744135 VLKMROAMTJSDDX-DLBZAZTESA-N 434.522 0.342 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299084740 DGALORKKLGTMBM-ZJYNUGOYSA-N 427.509 0.719 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300707094 BFBPDQFLWUMRQU-DLBZAZTESA-N 444.561 0.565 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)CC1 1300707538 GFUPKBWQBKBWLB-MRXNPFEDSA-N 430.534 0.440 30 10 ICEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1304424218 DOOCFUSYTYNIJW-SFHVURJKSA-N 446.533 0.930 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359321361 FHSORQXHLMQTRO-WCXIOVBPSA-N 426.539 0.501 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 1455115886 UOHWHDWJUYAZHS-SFHVURJKSA-N 440.525 0.805 30 10 ICEE COC(=O)CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1460652430 QNJOCLKUGZINIO-UHFFFAOYSA-N 442.925 0.562 30 10 ICEE CCOC(=O)C(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1465364487 WAXCBHWHDLZIQW-UHFFFAOYSA-N 449.305 0.991 30 10 ICEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 1471461301 ZVECISAZCHGTOR-UHFFFAOYSA-N 446.514 0.725 30 10 ICEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)CC1 1473873847 XLVMGZVTDDAMAC-SLQAJWMNSA-N 426.631 0.965 30 10 ICEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503714031 DCVKMJHTKDRERA-FCPHTXGTSA-N 445.524 0.517 30 10 ICEE COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1504829531 CPDAXCBWDLUXCN-MRXNPFEDSA-N 426.543 0.778 30 10 ICEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507631253 NCGODZRNMUGPQO-JLTOFOAXSA-N 449.533 0.794 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCO2)n1 1507717593 WJYOBFIOPAVIBU-ZWKOTPCHSA-N 427.509 0.891 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508084809 PUCIGJQSHFZCBR-FQEVSTJZSA-N 438.580 0.782 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1508121612 FPFISOIQZIJXGO-MSOLQXFVSA-N 440.504 0.923 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1539296890 VQWOJVHGZQCJHZ-MSOLQXFVSA-N 436.582 0.320 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540036643 QLBUYIWZFWBTBT-DNVCBOLYSA-N 439.538 0.804 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1540871147 FSBZJSBILPXGJU-GDBMZVCRSA-N 448.549 0.929 30 10 ICEE CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555792311 BJWVRYYVLNKIAM-WBVHZDCISA-N 447.517 0.993 30 10 ICEE O=C(N[C@@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1556782520 JWSNSTBMAHGGLO-QWHCGFSZSA-N 431.536 0.784 30 10 ICEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2=O)n1 1568504760 GMUUTZBPUFXRCN-QGZVFWFLSA-N 431.456 0.975 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN(CC)S(C)(=O)=O)CC1 1588848685 LAYIYLHTVJXZRW-UHFFFAOYSA-N 445.593 0.691 30 10 ICEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1589647107 ZBIJDIFNVOFLTE-CKDIWJPDSA-N 428.507 0.564 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1595466434 IZINGKZYRVDHJO-UHFFFAOYSA-N 445.568 0.947 30 10 ICEE CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1596212477 GJTKZPFWLOPYGV-UKRRQHHQSA-N 432.506 0.750 30 10 ICEE CC(C)Cc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603683508 SDZHBUHCEZEJGM-VXPUYCOJSA-N 427.509 0.814 30 10 ICEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)OC2=O)C1 1660309301 DGDSETLVJUVPKL-NJSLBKSFSA-N 425.507 0.409 30 10 ICEE C=CCn1cc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)nn1 1684330665 PXYSXQMKEKRFFQ-UHFFFAOYSA-N 433.538 0.400 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1690020000 WKZKFYMQFZBVDB-LJQANCHMSA-N 443.529 0.741 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1690047785 YTNJKHIGGQQFAL-KRWDZBQOSA-N 437.566 0.747 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)CC1 1705647559 IHLQOXOPPVVBAB-CQSZACIVSA-N 446.462 0.835 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O 1705700215 QFFVDVBTENMAJT-IVSAIRAKSA-N 425.555 0.862 30 10 ICEE CC(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705979241 IFAHGPAGINFEIE-IGGDJGDASA-N 443.508 0.367 30 10 ICEE CCc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709062338 KHRWSKVUQDCKFW-HCKAZOGZSA-N 429.525 0.524 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1722362895 CXJCDCBJANEPAF-GDBMZVCRSA-N 430.534 0.961 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722366757 JPXHRNNMCTVTMG-IAGOWNOFSA-N 437.566 0.919 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749671017 XWBATZGEFAVXAT-PMACEKPBSA-N 440.548 0.940 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1760520030 AGSDXMMJFPEKNP-MRXNPFEDSA-N 428.493 0.597 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(N)=O)CC1 1760553192 NYFUHJRVBIFCOK-UHFFFAOYSA-N 447.517 0.976 30 10 ICEE O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC#CCN1CCOCC1 1850333889 IMSWXUZAUMOAJJ-UHFFFAOYSA-N 433.452 0.826 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)C(C)(C)C2=O)CC1=O 1854771554 FXKOQPZVUUBRKI-CQSZACIVSA-N 437.493 0.998 30 10 ICEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)c1 1859002592 GYCRPPWGAMCSGU-UHFFFAOYSA-N 439.457 0.581 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)CC1 1889363610 SLQZCLLJCZTEMI-HXUWFJFHSA-N 446.592 0.272 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255621452 MYVXAMDPZOLISN-CYBMUJFWSA-N 438.334 0.818 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255628627 KKKNRYWRAUZSJL-UONOGXRCSA-N 436.318 0.809 30 10 ICEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CNC(=O)C(F)(F)F)C1 2267276949 JNUHPTWSTUZYGN-ZDUSSCGKSA-N 444.263 0.749 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267884292 OHKGFCYIYRKDRU-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@@H]3CCCCN3C(=O)[C@@H](O)CO)nc2)OC1(C)C 204890571 LGIAVBOXKMVEHP-HOTGVXAUSA-N 437.371 0.992 30 10 ICEE CN1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c(C#N)c(=O)[nH]2)CC1 223969154 VXDPJZIEOFJNQR-UHFFFAOYSA-N 428.518 0.845 30 10 ICEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1cc(Cl)ccc1[N+](=O)[O-] 248205217 ANLNYBQGNBQXNH-QCUYGVNKSA-N 449.803 0.815 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461658280 DOJSZMBAQBKUBW-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 465062106 AWTPJRPQVBHFEH-UHFFFAOYSA-N 439.559 0.995 30 10 ICEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC)cc1 730138046 IOYYBOWUZXHXOF-MRXNPFEDSA-N 435.550 0.831 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCCn3nc4ccccn4c3=O)C2=O)cc1 733831630 YLUQJTQHTKDBDV-INIZCTEOSA-N 434.412 0.816 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753356469 CXDOVJBAPIATCI-UHFFFAOYSA-N 429.498 0.933 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C)CC1 800737856 NCLAFACKQUGATP-UHFFFAOYSA-N 427.509 0.666 30 10 ICEE C=CCn1cc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cn1 1084373214 UTWLXZMTOWGNFM-UHFFFAOYSA-N 427.454 0.058 30 10 ICEE CN(CCC#N)C(=O)CCN1CCN(c2ncc(I)cn2)CC1 1196716706 OPHSSMHSZNNTHX-UHFFFAOYSA-N 428.278 0.965 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2cnn(C)n2)CC1 1300726479 OKLDIZPJMBGMJB-QGZVFWFLSA-N 426.525 0.509 30 10 ICEE CN1CCN(C(=O)CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1339079774 CGKFLZDZARZWQJ-QGZVFWFLSA-N 426.477 0.044 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c1 1443497801 UEVFFVIORZMIBJ-UHFFFAOYSA-N 432.546 0.609 30 10 ICEE CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1nccn1C 1447483671 LECIVQDXIVNTFI-FSDCSDTHSA-N 446.508 0.584 30 10 ICEE C#C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1472630873 KTBDCBCBNHAXPK-INIZCTEOSA-N 439.559 0.749 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630331 XAUICMJRRIAAAZ-JXXFODFXSA-N 433.534 0.450 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508145126 XPNOOMBFSQXYGO-HXUWFJFHSA-N 430.534 0.581 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1508421485 BHXULQSWIAUKLK-ZIAGYGMSSA-N 429.568 0.743 30 10 ICEE CNC(=O)[C@@]1(C)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554405955 AIFIVJOSBOQNTJ-APOCOGJHSA-N 427.509 0.719 30 10 ICEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1557545728 YTZZOOPYKMWKNB-FQEVSTJZSA-N 436.534 0.224 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588044918 CSKJSXVFTNYPQN-GOSISDBHSA-N 440.529 0.968 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1588064101 AKODVKJQFXBTRR-KRWDZBQOSA-N 440.591 0.682 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1588079026 QCBPROIKRUUMED-UHFFFAOYSA-N 426.502 0.823 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)N(C)C)CC1 1588743254 YXQPRRCOFZCPPP-MSOLQXFVSA-N 439.630 0.620 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnnn2C)CC1 1588865000 OWSUMWPAXIXKRW-UHFFFAOYSA-N 425.522 0.202 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1595516497 DVNMPNQVRBBLNQ-INIZCTEOSA-N 440.504 0.981 30 10 ICEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1595576940 CNHYXHBNACUUAW-UHFFFAOYSA-N 442.520 0.763 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 1596441112 IHOZEJDJIZZKRD-UHFFFAOYSA-N 428.250 0.804 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1620154993 LEIXDBLOYORJRZ-KSZLIROESA-N 431.518 0.980 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CCO1 1620354918 DSEHAVJHPXQRAF-BZUAXINKSA-N 425.511 0.105 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1632965548 AFUQTRXEVWOGJP-GOSISDBHSA-N 434.518 0.257 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(OCCO)CCOC1 1640177269 SIUYJIJTEOUWHC-JXFKEZNVSA-N 439.534 0.568 30 10 ICEE C=CCn1cc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)nn1 1664570988 PVUCSCOLUIAEQE-ROUUACIJSA-N 435.506 0.920 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1)C1CC1 1690545590 VAMSSZNZHXVXCZ-APWZRJJASA-N 441.554 0.571 30 10 ICEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1696874935 UBCMHUOGEJFONL-DJJJIMSYSA-N 429.506 0.477 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1698317043 HMKXWBKRRSHIPQ-AWEZNQCLSA-N 434.478 0.342 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705480343 UNDCTNSFLGPWDP-KFKAGJAMSA-N 426.539 0.326 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705903568 YFRFSHYAPKJWJF-NVXWUHKLSA-N 445.524 0.589 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705934387 KXDAOFOUWPDQRN-DOTOQJQBSA-N 430.534 0.964 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@@H]1CCCCO1 1706889500 GCOHIIDCGJPRJH-HRCADAONSA-N 426.543 0.966 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722622676 QNSXIRWMYXULNV-OWCLPIDISA-N 440.570 0.538 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1748752461 XTIMSAOFOPZBEG-SOABOVLPSA-N 437.566 0.622 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1748805751 VQVCMAOMQTUJJI-DXQAYGFFSA-N 446.533 0.555 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1748984514 UEVSHWDGGQNBTF-OAQYLSRUSA-N 445.545 0.259 30 10 ICEE COC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1749577506 CMGXILHWXIIELK-RJNPEMNYSA-N 430.509 0.997 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760099693 KGJKTWBDCOMMJS-GPMSIDNRSA-N 425.555 0.812 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(F)F 1760116258 GNMOGKAAVSBZSF-KBPBESRZSA-N 435.497 0.741 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1760183626 CIDFAVQHFXOXGF-HNNXBMFYSA-N 430.534 0.739 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1760189362 OMCGGXQNRFMWJK-KRWDZBQOSA-N 428.522 0.592 30 10 ICEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1763268580 FZIZOJAWGDJPNH-ZHRRBRCNSA-N 440.504 0.652 30 10 ICEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCN1CCOCC1 1870520155 XGFWKDQXKAHCMI-UHFFFAOYSA-N 448.564 0.496 30 10 ICEE C[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)S(N)(=O)=O 2282826102 OOFXXIPNVXIRLI-MRVPVSSYSA-N 444.793 0.656 30 10 ICEE CCS(=O)(=O)N1CCc2cc(C(=O)Cn3c(=O)c(C#N)c4n(c3=O)CCC4)ccc21 14201317 MEGPWRNPKFNQOR-UHFFFAOYSA-N 428.470 0.423 30 10 ICEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 23264947 LYEBSGSGAUDYFO-CYBMUJFWSA-N 441.454 0.467 30 10 ICEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486491134 IPCLWCQWHRUYKP-RTBURBONSA-N 449.515 0.883 30 10 ICEE CNS(=O)(=O)N1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 509076632 GGJHGWYNCLHIJQ-MRXNPFEDSA-N 437.547 0.574 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 515747514 PZNDIKQAEKEFSG-UHFFFAOYSA-N 431.449 0.729 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C[C@@H]1CCCO1 562294201 WTGLRLXFBQNHTR-HNNXBMFYSA-N 443.525 0.664 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 590913949 DJBFVOBVAAJKBM-HOCLYGCPSA-N 445.516 0.882 30 10 ICEE CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 610869565 IPKXFSQRJGSIOH-UHFFFAOYSA-N 426.481 0.469 30 10 ICEE CN(CCN1CCCS1(=O)=O)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 611429873 ACGGNQWHIIDADU-LJQANCHMSA-N 437.541 0.502 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 731860969 CNCSMRBIMZHRIK-ZJYNUGOYSA-N 432.502 0.730 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 734273195 KCZIQMZMYLWKAX-LJQANCHMSA-N 442.564 0.518 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@@H]1CCOC1 749856907 ZDHZZVZEGNOZHF-HNNXBMFYSA-N 429.546 0.582 30 10 ICEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 758053062 RJVDEENMEVYNAC-UHFFFAOYSA-N 425.470 0.485 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763436770 MITBAERNGYVGRM-UHFFFAOYSA-N 426.473 0.642 30 10 ICEE COc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C#N 787181643 BRKTTYURCPVEIS-UHFFFAOYSA-N 449.511 0.887 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 795806352 VZJFZLNVWIKWDD-LBPRGKRZSA-N 434.923 0.519 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CC1 1221780787 WPQUSUYLWZMZDW-FQEVSTJZSA-N 433.578 0.346 30 10 ICEE C[C@@]1(C#N)CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1230868586 AFDXZKMWRUURKL-KRWDZBQOSA-N 444.535 0.736 30 10 ICEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1291232573 OWMQSTMIRCQDKA-ITZAQCPESA-N 436.476 0.533 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301478537 MOYVKZWBHPGJMS-UHFFFAOYSA-N 441.540 0.452 30 10 ICEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1301766094 CTIMJSOTRVKVSO-MRXNPFEDSA-N 438.536 0.681 30 10 ICEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1306392591 OQYSBJIDXQGDOR-LTDXQCTPSA-N 445.524 0.946 30 10 ICEE CO[C@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCS(=O)(=O)C1 1350732721 ARGLPIKUCAFIGV-JFPYRBRCSA-N 429.520 0.642 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 1359028410 RDUVAHXWDOZYCL-UHFFFAOYSA-N 435.532 0.677 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCn2ccnc2C)CC1 1359036547 ZALFDBUPDXIYRY-IBGZPJMESA-N 445.593 0.921 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCOCC2)CC1 1359043753 HEZDACVHSIJOAB-UHFFFAOYSA-N 427.509 0.186 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1359091153 JRRFSTZESCXXDC-ANQUJSFKSA-N 440.570 0.536 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306175 YEJKJENFUUUZPF-RTWAWAEBSA-N 434.541 0.583 30 10 ICEE NC(=O)C1CCN(c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1455868949 VXJOYZICYWRRFA-LSDHQDQOSA-N 425.489 0.921 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)ccc2c1=O 1472581273 AHNHOFYEMYARHW-LJQANCHMSA-N 435.527 0.901 30 10 ICEE C[C@H](CC(=O)N1CCC(CO)(NCC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1472589892 HTUPSEFCCCGNOH-OAHLLOKOSA-N 434.562 0.857 30 10 ICEE CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1502454861 XPGZKYWRPPXBIU-CQSZACIVSA-N 447.521 0.545 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1503274612 RVJRMABXVKUOOT-OAHLLOKOSA-N 445.549 0.813 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1 1507522184 UJONEOFNEVLRQL-CYBMUJFWSA-N 429.510 0.225 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1507660001 KJGCCETYXKOCAR-KRWDZBQOSA-N 434.566 0.754 30 10 ICEE Cn1cc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cn1 1517368712 PSZUKTHVKIRLLH-UHFFFAOYSA-N 444.521 0.957 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(C)CC3)c3ccncc23)C1=O 1537970515 LXKHRJGRGYGLFZ-UHFFFAOYSA-N 436.472 0.902 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1539231097 OHNVJIAYGNXZJH-IRXDYDNUSA-N 432.550 0.900 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1539368984 GETMKXPDCNBCDT-ULQDDVLXSA-N 425.555 0.743 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1S(C)(=O)=O 1539650437 QZKGRHVRSFOYFJ-LSDHHAIUSA-N 448.615 0.715 30 10 ICEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1540189066 HZDNVSIHCAXTRS-MRXNPFEDSA-N 440.570 0.577 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCNS(C)(=O)=O 1540863908 IZPQCXGSLJEXQL-UHFFFAOYSA-N 426.930 0.886 30 10 ICEE CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1554508704 BPYUBXGVUUCMKE-SFHVURJKSA-N 432.485 0.508 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1555986293 HSFPYGIPTHXQCH-OAQYLSRUSA-N 425.468 0.936 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1560168400 KKPXDZZMGPMWGR-CUWPLCDZSA-N 445.520 0.405 30 10 ICEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC2(CC1)CC(=O)C=CO2 1565330165 PETKVMYBBXPFAZ-UHFFFAOYSA-N 428.489 0.809 30 10 ICEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1565697621 HYEISVHNNKMQMB-WBVHZDCISA-N 430.509 0.050 30 10 ICEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1588064120 BBZMFGVGQNERHL-MRXNPFEDSA-N 431.547 0.849 30 10 ICEE CC#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1640793906 GTHFQKLSVCDLPB-DLBZAZTESA-N 435.546 0.961 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccncc2)c1 1642009757 DCAHOUJLGYFQCL-ROUUACIJSA-N 431.470 0.388 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 1644281551 FXNXKASBZFPCRI-UHFFFAOYSA-N 446.323 0.692 30 10 ICEE CCOC(=O)CNC(=O)[C@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1658081734 GTCPAGCKYFUYOM-OAHLLOKOSA-N 434.518 0.817 30 10 ICEE N#C[C@@]12CN(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1681936985 WCHUJNKXNJTQJN-WFXMLNOXSA-N 430.530 0.800 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690022774 RAROKTSOEVJFFG-UHFFFAOYSA-N 441.495 0.600 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690675183 RDGWXLYAZHALAN-UHFFFAOYSA-N 449.515 0.858 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCOCC1 1692780296 DNUYIIIRFBDUQG-KBXCAEBGSA-N 444.533 0.916 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705590234 FZJGDSREDCOGGK-HRAATJIYSA-N 428.493 0.381 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705734535 SEHRXCHURQBCTJ-UHFFFAOYSA-N 442.524 0.199 30 10 ICEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712173709 PNDNONLESZUEBV-GDBMZVCRSA-N 445.503 0.454 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722362291 NAWKFUHVTANKBH-AWEZNQCLSA-N 436.925 0.756 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362987 XZXOHGRPOYWVMD-SFHVURJKSA-N 447.565 0.028 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1722490783 DCQWYTJODRGTKZ-FPCVCCKLSA-N 440.570 0.584 30 10 ICEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722742170 KIIQSGLDLDFHFJ-MRXNPFEDSA-N 427.534 0.330 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C[C@H]1O 1748333674 HFLOELZDIXEYPM-HUUCEWRRSA-N 448.430 0.558 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CC1 1748994680 MUSOBFJULJPDCX-QGZVFWFLSA-N 444.561 0.830 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1760123132 YOJVBARPWPACSC-MRXNPFEDSA-N 443.577 0.892 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)NC)C1 1760545860 CUDNLERGPRSLSF-OAHLLOKOSA-N 426.568 0.964 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1761501232 FNOAASZBOKEQDQ-BBFKWACYSA-N 432.572 0.164 30 10 ICEE Cn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cn1 1769015483 CWSZBBQRJGNDMK-QGZVFWFLSA-N 448.553 0.523 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)CC1 1889422063 GUWUOIWVWYDKFJ-IBGZPJMESA-N 430.553 0.187 30 10 ICEE C#CCn1ncc(NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(Br)c1=O 2234024290 DYVVMUJDMGKWEY-DYEKYZERSA-N 443.298 0.392 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267270927 OZRGDRVZDRSTTI-ZIAGYGMSSA-N 447.345 0.957 30 10 ICEE C=C[C@@]1(CO)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286043244 ZZKXIOAOZKXDDA-VQIMIIECSA-N 442.490 0.034 30 10 ICEE C#C[C@H](C)N1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2362112156 JMSXMZHIIPQYDL-FUHWJXTLSA-N 437.518 0.424 30 10 ICEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)c1ncc(I)s1 2367815005 FMLZFBAJFXXSTO-SCZZXKLOSA-N 426.301 0.950 30 10 ICEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481504893 XZBDFYXTMVSKIQ-CYBMUJFWSA-N 448.526 0.722 30 10 ICEE C[C@H]1CN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(CCO)[C@@H](C)C3)c2)CCN1CCO 490072635 BZTFJBUSNBOGTP-IRXDYDNUSA-N 432.525 0.472 30 10 ICEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508890430 XIDZJUUYKHUCSC-CYBMUJFWSA-N 441.521 0.988 30 10 ICEE COc1ccnc(N2CCN(CC#CCN3CCN(c4nccc(OC)n4)CC3)CC2)n1 530411698 FDNREQHFKPLYAY-UHFFFAOYSA-N 438.536 0.231 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCO2)CC1 555372902 SVVOPORKPKDLSS-IBGZPJMESA-N 425.537 0.867 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 568487274 ORJSEUAOZMPSLC-IRXDYDNUSA-N 442.586 0.344 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603797125 AOVVWHZUOJXJDT-INIZCTEOSA-N 440.481 0.802 30 10 ICEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 749387135 DSRLMWHVACQWOE-DPPKGPFUSA-N 427.436 0.997 30 10 ICEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 752152180 BHHAGDOMLPAICR-UHFFFAOYSA-N 428.514 0.622 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763434508 IVJVWADSFDJZSC-ZBFHGGJFSA-N 430.530 0.081 30 10 ICEE C#CCCS(=O)(=O)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 810784416 DUMGOQQFDDDPQS-HNNXBMFYSA-N 430.504 0.185 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152043249 WBTJBOOLAFROCW-AEFFLSMTSA-N 444.575 0.651 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCCOC)c3ccccc3n2)CC1 1152967757 OKMSUXYXQQAZFA-UHFFFAOYSA-N 432.502 0.485 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1286383783 NYQIOOIAJILVRZ-INIZCTEOSA-N 441.517 0.757 30 10 ICEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286823914 ROIJVKOCVAKUAM-AWEZNQCLSA-N 447.569 0.867 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 1300734114 RAYDTIOURICAQJ-OAHLLOKOSA-N 426.612 0.787 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301040082 BVWCISKSIIKIJS-CHWSQXEVSA-N 437.975 0.451 30 10 ICEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1315068512 JVYGZJXKGGBRDQ-GFCCVEGCSA-N 426.449 0.425 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C#C)c2ccc(Br)cc2)CC1 1470662708 HNBJMAFIPDRSGY-INIZCTEOSA-N 439.335 0.918 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 1471451103 NFRJQUBUPYPGEP-LSDHHAIUSA-N 444.554 0.359 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CCO1 1505321472 BBDQKERIZBFHGZ-GXTWGEPZSA-N 425.902 0.459 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508081834 PYEZISUPWOIWFO-OAHLLOKOSA-N 435.554 0.351 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508141088 LDCUYBOXKHHMMH-HNAYVOBHSA-N 425.555 0.735 30 10 ICEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1515094929 DGFKUQHILDFQML-UHFFFAOYSA-N 447.503 0.930 30 10 ICEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1519164613 KIAOLJVBGJKPON-IBGZPJMESA-N 433.557 0.703 30 10 ICEE COCCNC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1524810824 QUTHBHCKKUVOPT-UHFFFAOYSA-N 434.518 0.370 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539459247 APMGQHGDQITJTO-UHFFFAOYSA-N 449.559 0.906 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539744778 WOGSYLJOFFVTEF-GJZGRUSLSA-N 431.497 0.295 30 10 ICEE CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1541685475 GXRZIHKFPLJWTG-AWEZNQCLSA-N 425.559 0.933 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1595529764 GURFJJHZBCBABU-UHFFFAOYSA-N 439.524 0.908 30 10 ICEE C#CCN(C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@@H]1CCS(=O)(=O)C1 1625363010 HRFNJAKSQTVUJA-AUUYWEPGSA-N 430.498 0.611 30 10 ICEE CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C(F)F)C1 1637203436 CCFQUSYNUJJSNN-LBPRGKRZSA-N 427.408 0.924 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CCNC3=O)cc2)c1 1654776653 OIDFIPZNHIMLCB-UHFFFAOYSA-N 427.486 0.678 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 1675207980 MSXULRMBWOZFJG-SJORKVTESA-N 426.926 0.965 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1689987854 DEWIWTDQLXYDFW-KKSFZXQISA-N 442.545 0.754 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690003786 YFZFUCFQVLHJRU-RXVVDRJESA-N 449.577 0.673 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC2CC2)CC1 1690132422 PPWWNXRCRGHTBO-UHFFFAOYSA-N 441.561 0.551 30 10 ICEE CC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694898376 IIAAIQGWUAYFMW-MCYOWCNASA-N 448.549 0.943 30 10 ICEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705532596 CLMJVYNKXSBKON-AZUAARDMSA-N 435.532 0.991 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1705585157 MDRYLRQFAOXGDV-HXUWFJFHSA-N 425.581 0.747 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)CC1 1705633115 JEUSLNPAWMVTFV-IRXDYDNUSA-N 446.581 0.103 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1705901637 RMCFCDUWASDVEZ-QGZVFWFLSA-N 443.577 0.958 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705928989 XNVSUDPYAAYHLT-GVDBMIGSSA-N 437.566 0.834 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705932230 QBXGWEFWXHMUGO-UHFFFAOYSA-N 442.567 0.392 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705935923 GPZPJYNWENHOOA-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705938394 XHDOVJRPYTZVCD-IRXDYDNUSA-N 437.566 0.864 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1722434177 LUKQFWYNQPJOHJ-UHFFFAOYSA-N 444.561 0.744 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740782599 WQUBKGKQKWLMHR-ORAYPTAESA-N 436.538 0.571 30 10 ICEE CC[C@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743773740 YRUOAKLYZJLWLQ-LZICOFPGSA-N 445.524 0.613 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1748299120 XOBKTPRJTJJMBS-QGZVFWFLSA-N 434.522 0.893 30 10 ICEE 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 1748824858 KVLQHUXDZKWAAV-XSLAGTTESA-N 434.500 0.296 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1749488973 PRXHFBLYDNVKMT-QGZVFWFLSA-N 440.570 0.492 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750971469 PKISAPDNTGWHNH-GWOGKKTRSA-N 445.524 0.804 30 10 ICEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCOCC2)C1 1770726345 DYXGQMFBEFTRAH-FQEVSTJZSA-N 442.455 0.616 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCN2C1=O 2255602823 XTHPNOKCZNWVJR-LSDHHAIUSA-N 433.314 0.958 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 33233799 KADOKJSUUGDHOH-UHFFFAOYSA-N 446.529 0.818 30 10 ICEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 521698334 REKJHYGYXUPGJW-INIZCTEOSA-N 447.561 0.428 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(C)(C)CN(C)C 608911971 ABGPCDGMNKIXCQ-UHFFFAOYSA-N 442.585 0.763 30 10 ICEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)CCN2C1=O 675599990 DOPBDQPOMUTALE-IBGZPJMESA-N 431.452 0.915 30 10 ICEE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCN/C(O)=C1\N=CC=CC1=O 732153293 GOJGDEPGXPBBAL-WUKNDPDISA-N 428.417 0.276 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@@H]1CCCO1 767952732 KFDBTUZFVZKGEL-KRWDZBQOSA-N 445.541 0.954 30 10 ICEE Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 794583660 CELFOBQHPXMFCN-UHFFFAOYSA-N 446.536 0.763 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 800780479 WGYIWEOYYSDCCE-GJZGRUSLSA-N 442.542 0.512 30 10 ICEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 807938007 RQJPKCLNLYPWMP-OAHLLOKOSA-N 427.490 0.714 30 10 ICEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 816693102 BVJOEIDEHKYXBA-RISCZKNCSA-N 446.323 0.956 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 837799724 HZDWENOJJNEHIX-OAHLLOKOSA-N 429.546 0.468 30 10 ICEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nn1 1126141297 KUAVVQVHSIVGGN-UHFFFAOYSA-N 446.489 0.332 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1286297410 WJQIEKTUOJHYFD-HUUCEWRRSA-N 438.554 0.115 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCOCC1 1288801703 AENAQYXJLIYWPE-INIZCTEOSA-N 439.586 0.741 30 10 ICEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1308051904 XWBFAARZHVVIKW-UHFFFAOYSA-N 442.495 0.897 30 10 ICEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1358940154 PDUVSSCADKORHH-UHFFFAOYSA-N 439.492 0.997 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)CC1 1359029197 RCQAKJUDRWTPHQ-AWEZNQCLSA-N 435.554 0.551 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC)C2)CC1 1359046656 AQHAGQCXTLTORD-SFHVURJKSA-N 441.580 0.708 30 10 ICEE C#CCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C1CCN(C)CC1 1468917909 UVIAKLZRECGAJU-UHFFFAOYSA-N 426.583 0.699 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1507632352 ZLQBNJDMDRNECP-DLBZAZTESA-N 433.534 0.937 30 10 ICEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507655935 QISLVVBVJZPQLG-HXUWFJFHSA-N 432.477 0.619 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](COC)OC)CC1 1507740454 MOCUKKNQICWQIZ-LJQANCHMSA-N 443.552 0.767 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507743656 IDKNCQANXMWAPY-SFHVURJKSA-N 433.626 0.999 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508092963 SRJAZTGNYUNCKP-HNNXBMFYSA-N 440.570 0.335 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1COCCO1 1510185336 CTEMODZUCBDIMQ-GDBMZVCRSA-N 426.543 0.824 30 10 ICEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1519191914 KSCBQQKKIQWTHF-ISLYRVAYSA-N 431.541 0.870 30 10 ICEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1528572148 XBJPMFBKBFMVMZ-INIZCTEOSA-N 446.529 0.387 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540872122 DEUZSIZQGJCGDP-IBGZPJMESA-N 426.521 0.821 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545910808 KAPNBRZAKWENJB-HTXNQAPBSA-N 445.524 0.950 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1554501576 RTLMKDZILIRVBT-NVXWUHKLSA-N 432.506 0.815 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC 1588206022 ZXLXMTQYGZGCEP-UHFFFAOYSA-N 429.502 0.728 30 10 ICEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593909067 YAQOCTITXMHVHC-HNNXBMFYSA-N 430.896 0.799 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594097640 XFZJYAFRMWWMDT-OAHLLOKOSA-N 444.579 0.276 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)CC1 1643372397 JRLWQTWIUJAVFT-UHFFFAOYSA-N 441.598 0.791 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689988994 ZXNCCDMXNKDGEH-SFHVURJKSA-N 431.566 0.790 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1692538515 KCYPOCVDIKDXHV-HZPDHXFCSA-N 428.541 0.508 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705704132 ZDNKBOLGTHUIEJ-HNAYVOBHSA-N 444.540 0.288 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1705909446 XMTDOSFRJXPRAP-OAQYLSRUSA-N 442.524 0.349 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1722396726 KEOIHNUDLUMAPM-DLBZAZTESA-N 438.575 0.610 30 10 ICEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1722632967 BCWIRCXFCNAXQJ-IBGZPJMESA-N 428.555 0.881 30 10 ICEE CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729226205 JFYMDCDOTYKXAQ-UHFFFAOYSA-N 431.522 0.705 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1730788526 IJISWQOIQKPRTJ-UHFFFAOYSA-N 447.565 0.524 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740957215 GFVZUEPUKSFNGP-GOSISDBHSA-N 427.557 0.197 30 10 ICEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1748745628 VQDFCQDLTCTFCA-MRXNPFEDSA-N 445.549 0.603 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1748790679 KQQLQLCPHLXZCB-VQIMIIECSA-N 439.607 0.458 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1748826451 UCXGHIQJDFDFGA-INIZCTEOSA-N 434.566 0.610 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749103898 GPSIDBHDIJNZKE-WBMJQRKESA-N 444.355 0.805 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCS2(=O)=O)C1 1749718475 WEISZZVBWCJVAP-GOSISDBHSA-N 449.581 0.957 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCn1cncn1 1751189972 BSQBUOBWCJARDO-AWEZNQCLSA-N 429.510 0.688 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760357710 MFEIEDDWJSKXRA-IKGGRYGDSA-N 443.570 0.411 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760406825 MSXDYFNZVYYVTF-UONOGXRCSA-N 425.559 0.704 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1760516621 ROCTWPZXSYEIGK-HOTGVXAUSA-N 439.586 0.255 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CC(=O)N(C)C)CC2)c1C#N 1762399879 GGOAGCVUCARZEE-MRXNPFEDSA-N 441.540 0.501 30 10 ICEE CS(=O)(=O)[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771346878 FWPQUETXMXMRRU-HFUDNHEJSA-N 434.522 0.695 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 1772564713 WKPNVUYZPKEUDA-MRXNPFEDSA-N 439.542 0.124 30 10 ICEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1772567436 ZVKKRBUZPAWZBW-HNNXBMFYSA-N 427.513 0.770 30 10 ICEE N#Cc1c(Cl)nsc1N1CCNC(=O)CCN(C(=O)C2(NC(N)=O)CC2)CC1 2060423374 RFCPRCCPZDKTDT-UHFFFAOYSA-N 425.902 0.024 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243687155 VATLIVLZEDSICH-JTQLQIEISA-N 428.320 0.473 30 10 ICEE CC(C)CN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 464862163 HPANTCZVCRMEJS-IAGOWNOFSA-N 434.566 0.530 30 10 ICEE COc1ccnc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 487183832 XFNDQXKHGJZEHN-GOSISDBHSA-N 435.488 0.990 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(COC)cc(C(=O)OCC)c2)CC1 489073568 LSWFEMXZAGWSSI-UHFFFAOYSA-N 439.534 0.618 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 505631433 CTFUPEJFJOVDBS-UHFFFAOYSA-N 432.509 0.840 30 10 ICEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 554678937 HHVDJLIDXNPVEH-UHFFFAOYSA-N 433.534 0.735 30 10 ICEE C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H]([C@@H]1C(=O)OC[C@H]1O)S(=O)(=O)O 575167592 CVWRSNZBRKRAAY-DFVKRHRBSA-N 432.535 0.909 30 10 ICEE CCOC(=O)[C@H]1CCCN(C(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)C1 585673818 UTZOYNJPFXBOEG-VFFKCKNESA-N 428.445 0.862 30 10 ICEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732651483 BGCVWPQZBNWDKB-MRXNPFEDSA-N 434.518 0.528 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C#N)c2=O)cn1 772299462 LEWRPBWOOGVJPL-UHFFFAOYSA-N 446.492 0.333 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CC[C@H](O)C1)c1cc[nH]n1 1154062020 IBLVGGTYRGFYPE-KRWDZBQOSA-N 429.477 0.577 30 10 ICEE CS(=O)(=O)CC1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1159344822 FNYFDBSJNUIMGP-UHFFFAOYSA-N 427.548 0.835 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C(C)=O)CC1 1286365988 PRCWLLLZACMPQK-UHFFFAOYSA-N 444.561 0.582 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286389483 KXKQNJCKRUYEMP-OAHLLOKOSA-N 428.580 0.996 30 10 ICEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1286738968 KPXQQJQBEHTVSU-URLQWDBASA-N 426.539 0.707 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1301501680 ZRGOMMBBFUGZHK-SJORKVTESA-N 437.566 0.878 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358984495 YOSYGJOPRTVRKI-GOSISDBHSA-N 449.515 0.883 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1507536413 BZCVQSBFSGMYOU-MSOLQXFVSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1507637181 ABFBLLGNCDRSOR-HNNXBMFYSA-N 437.591 0.923 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1507964284 ACEUUWUCXDDDBW-OAHLLOKOSA-N 431.584 0.757 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508095811 VURRCCFTJXJNFN-MRXNPFEDSA-N 425.493 0.755 30 10 ICEE CO[C@@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCS(=O)(=O)C1 1527274034 MGXCAPWGGMFZMH-BYFYWULKSA-N 429.520 0.642 30 10 ICEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539811570 FJVSFUVRZKLROV-UHFFFAOYSA-N 446.943 0.819 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1540871637 QBIBRZWTALOCAP-HUUCEWRRSA-N 426.543 0.150 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540872974 IETKXXOIVDIYPR-SFHVURJKSA-N 439.520 0.394 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1540874491 IHLMKMHTQHLDBP-GOSISDBHSA-N 430.557 0.599 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540908922 RMBNDEQGRTVZEA-LJQANCHMSA-N 438.554 0.901 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(S(N)(=O)=O)CC3)CC2=O)cc1Cl 1557715686 QKDUOHGPQQENBN-LBPRGKRZSA-N 425.898 0.349 30 10 ICEE Cn1cc(I)c(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)n1 1569210454 WCFXRMCGECHYPT-YPKPFQOOSA-N 429.218 0.557 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1589216740 WIXBMNKMUVVKSS-HNAYVOBHSA-N 448.553 0.272 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1595806005 ZCFMYLYYIUGAEX-HUUCEWRRSA-N 447.583 0.201 30 10 ICEE C[C@@H](CC(=O)N1CCN(CC(F)(F)CO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640339152 IUGKKPQXQGDQQR-ZDUSSCGKSA-N 430.477 0.276 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3CCN(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1641258832 OTWMVEMTZRFOIS-OIISXLGYSA-N 440.566 0.761 30 10 ICEE C#CCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1643134254 QTHIFZGKMGSVJC-IKGGRYGDSA-N 425.551 0.434 30 10 ICEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1653725579 JSPQBSRAIOKNJE-GFCCVEGCSA-N 431.488 0.624 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1697022226 DSLMBVCGRZROLZ-UHFFFAOYSA-N 446.533 0.752 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566467 OKYQDEXYXKURHY-SQNIBIBYSA-N 448.593 0.588 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705585446 SGLLDHTXKWEVFL-LJQANCHMSA-N 439.564 0.416 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1705901830 XQZZQHUSAWFJLY-INIZCTEOSA-N 442.499 0.782 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705934781 WYLUYCAGPBJIGF-ZIAGYGMSSA-N 425.511 0.219 30 10 ICEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1710688623 DKHQZAFFOGFRJO-HXUWFJFHSA-N 429.456 0.520 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1722446907 BJKHLZDKQIRJPC-QGZVFWFLSA-N 428.537 0.794 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729768372 MWKJRFZXYVDYDP-VDMFXUGISA-N 425.449 0.799 30 10 ICEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1731128547 GTQWXCUQZJRTLN-HIFRSBDPSA-N 427.600 0.818 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749064488 XZNGDHROFZTUOA-HSZRJFAPSA-N 444.499 0.991 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 110675259 RCNFQWGXLHHIRE-IBGZPJMESA-N 427.505 0.631 30 10 ICEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CC 447274029 YLZLQQOZQQOOAK-UHFFFAOYSA-N 438.351 0.845 30 10 ICEE Cc1nn(C)c(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1C#N 472152855 IGIIJQCOAWCJKX-UHFFFAOYSA-N 441.561 0.768 30 10 ICEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 492709521 YMTOUXYUIQWGFK-SFHVURJKSA-N 435.550 0.516 30 10 ICEE CS(=O)(=O)N[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 532574907 JGDHHOWAUYYPCX-AWEZNQCLSA-N 448.505 0.078 30 10 ICEE CCc1c(C(=O)N2CCN(c3cnccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 565766691 SSLXTBNVKRLYFH-UHFFFAOYSA-N 433.472 0.424 30 10 ICEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 619769727 POUJEVJNVIZDJG-UHFFFAOYSA-N 427.914 0.616 30 10 ICEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 757858447 XOVAYYZHDRCYSD-HZPDHXFCSA-N 437.584 0.619 30 10 ICEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cn1 794578811 DHVYTOBXRXXWOS-HOTGVXAUSA-N 428.514 0.321 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 802553497 NXTAMIGFHMJTRT-ILXRZTDVSA-N 440.526 0.122 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 917858008 NILUEAQQSAEALS-UHFFFAOYSA-N 446.451 0.742 30 10 ICEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1286746099 OMXUQPQCNXMINK-LAUBAEHRSA-N 445.545 0.971 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1286781541 SZIKQWFWZRIILT-GFCCVEGCSA-N 425.515 0.432 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286830261 KNLSCXFALJYEBL-QGZVFWFLSA-N 447.609 0.893 30 10 ICEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1296307736 NEHDKQFIWHJHIM-UHFFFAOYSA-N 435.496 0.745 30 10 ICEE CN1CCn2ncc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2S1(=O)=O 1296677478 QGPDMDMHAQNZPX-UHFFFAOYSA-N 430.490 0.904 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300499028 OSAMGOIYNSUDIY-HGHGUNKESA-N 445.545 0.431 30 10 ICEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301036450 CZRANJNMQZEUKI-CQSZACIVSA-N 435.916 0.253 30 10 ICEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312469770 QDPQOIPFLNYLQD-RBSFLKMASA-N 429.543 0.716 30 10 ICEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1315755203 YQAPKRLSEBEDHS-GOSISDBHSA-N 437.504 0.827 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358964763 GWTHYOWTRNSCKH-WIYYLYMNSA-N 445.545 0.696 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358967237 GLGRTMHVTSUDAB-DLBZAZTESA-N 438.550 0.688 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)CC1 1359045834 VOWMEYWERAXKAC-ROUUACIJSA-N 447.561 0.491 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C1 1359312773 APBFFIPCYPVTPO-LVQVYYBASA-N 429.543 0.210 30 10 ICEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1464255612 LWVHQLOJLKYMMH-MRXNPFEDSA-N 432.520 0.494 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3C[C@@H]4CC[C@H](C3)O4)CC2)cc1 1468118772 AGRNSWPBWHZAIY-KDURUIRLSA-N 432.546 0.938 30 10 ICEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)O1 1471715045 AUVQKHQYOTXTMX-HOTGVXAUSA-N 437.518 0.884 30 10 ICEE CNS(=O)(=O)c1ccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cn1 1472554294 FTUGDQCKLAQCRW-UHFFFAOYSA-N 440.279 0.786 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1503639552 GWRFRMNYVUOLEL-YLJYHZDGSA-N 431.518 0.982 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1508092618 RPPIMDIJRMVBBT-HZPDHXFCSA-N 440.570 0.538 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1508144166 CFSXPCLJLPFIOK-KRWDZBQOSA-N 447.517 0.670 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1539052039 BFLUXNNRTJCPKN-OAHLLOKOSA-N 437.570 0.686 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539202155 GKVQVAJUSGWWJD-IRXDYDNUSA-N 437.566 0.667 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 1539668553 BHZYKYGJMBFBHY-HUUCEWRRSA-N 426.543 0.292 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1 1558251644 QQRYROXIFLDMCL-CEXWTWQISA-N 447.557 0.870 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1560026760 FRGCVBDVSRFPHK-UHFFFAOYSA-N 431.558 0.468 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1587562859 ULMUOVASQCRINU-ULQDDVLXSA-N 426.587 0.703 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)NC 1588560605 UHCNFRDKYVUHKV-UHFFFAOYSA-N 448.524 0.729 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCO[C@@H]2CCOC2)CC1 1588876860 LLTQQRBZOXBMPJ-ZCNNSNEGSA-N 433.553 0.953 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595466379 IAFASNFAMUTUJJ-CQSZACIVSA-N 426.481 0.190 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1595602072 DVSMVBXPNDXBIN-KKSFZXQISA-N 434.541 0.727 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1611658263 AJMCWEWCFGSZHA-ZJUUUORDSA-N 425.437 0.305 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CCS(=O)(=O)c2ccc(C#N)cc2)C1 1620553419 LWKWMBCBNRQWDI-UHFFFAOYSA-N 434.518 0.753 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 1620623100 LGFFNOGGWFVPCC-GOSISDBHSA-N 437.478 0.042 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1622498748 ULGDVDGCPPPZET-UHFFFAOYSA-N 436.437 0.351 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1 1633831747 VHHQWHFGTVKZRP-UHFFFAOYSA-N 433.467 0.576 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC1 1644285494 QQEFYLUGSFINPS-HOTGVXAUSA-N 430.571 0.784 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)n1 1674951360 FSBGVMZKEBDHBE-OAQYLSRUSA-N 426.521 0.970 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 1690597231 NAZUAIVWXZBYJM-LPHOPBHVSA-N 441.554 0.595 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1690958602 XXEVMFILIWKNHA-VQTJNVASSA-N 440.504 0.964 30 10 ICEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1695270546 GBGJJTRFHOITPO-SFHVURJKSA-N 437.504 0.780 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)CC1 1705633065 IMGPTMZGLYBYIT-QGZVFWFLSA-N 438.598 0.850 30 10 ICEE CC1(C)CC(=O)N[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1706942227 MPNBUCRRLWUSFQ-UKRRQHHQSA-N 443.533 0.913 30 10 ICEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740716015 RXSSJBHRIDSUJG-HNNXBMFYSA-N 425.518 0.162 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1748951027 TZSXOGVJVVHKNO-UHFFFAOYSA-N 448.545 0.979 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCSCC2)CC1 1748979392 YQDRTOAXALBSTI-NRFANRHFSA-N 434.610 0.734 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1760190295 VMPQXNGGLJFWSS-MRXNPFEDSA-N 446.533 0.753 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1760522192 NNOGLDABVHNTBG-OAGGEKHMSA-N 438.554 0.292 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2=O)CC1=O 1854710765 VGURYCCUEVWACZ-LSDHHAIUSA-N 435.502 0.478 30 10 ICEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCOCCO)sc2c1CCC2 1872649884 SUQWJYGLPTZMRI-UHFFFAOYSA-N 435.462 0.177 30 10 ICEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cs1 1889555351 VWHBLEVGMWGCTR-UHFFFAOYSA-N 443.533 0.648 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412433 JWRPSUWEJKZCMX-LLVKDONJSA-N 440.331 0.834 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267524238 NCFBDEYWCIGMEH-UHFFFAOYSA-N 449.361 0.991 30 10 ICEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cccc(C#N)n2)CC1 546917055 PXFWKNNCRPAARL-INIZCTEOSA-N 442.545 0.470 30 10 ICEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 561919626 GVTIVJTYGYPFJS-AWEZNQCLSA-N 440.547 0.540 30 10 ICEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 747337240 NRDCCSLGFWUREC-WMZOPIPTSA-N 430.530 0.679 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C[C@H]3CCCO3)c2=O)cn1 772278652 MWKGKXDZYZUJNI-GDBMZVCRSA-N 443.529 0.040 30 10 ICEE O=C(N1C[C@@H](O)CC(F)(F)C1)C(F)(F)C(F)(F)C(=O)N1C[C@H](O)CC(F)(F)C1 787828271 IVBRHWJWJAPCMW-OCAPTIKFSA-N 428.276 0.714 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 800775075 HHRDVVLEZMLOKH-CQSZACIVSA-N 428.515 0.076 30 10 ICEE C#CCN(C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)[C@H]1CCS(=O)(=O)C1 806738002 XTAHAQAIUFPWQK-AWEZNQCLSA-N 444.531 0.770 30 10 ICEE CCOCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 916869069 ZYRONEUWWBAOFN-GOSISDBHSA-N 437.518 0.881 30 10 ICEE C#CCN(C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1116463006 RPQGKTDSHHQGAU-HUUCEWRRSA-N 440.547 0.774 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 1222224974 YIAFPMMSACHCNY-WMZOPIPTSA-N 439.607 0.926 30 10 ICEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286336801 YDIZOVGENHAREV-MRXNPFEDSA-N 442.524 0.400 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1286555144 KFFHZCOLWZUYPZ-KSZLIROESA-N 437.566 0.830 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286780652 HEURFXAXSJUXIS-INIZCTEOSA-N 433.557 0.707 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286818585 KGQNADYVXPXRNY-CQSZACIVSA-N 427.552 0.887 30 10 ICEE C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1288897666 AHFHWNAJKUIIBX-APWZRJJASA-N 438.554 0.512 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300499427 RPZIUUNVWVZFBR-SFHVURJKSA-N 444.561 0.759 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301497638 ZLGYKINHWCPRCQ-UHFFFAOYSA-N 427.513 0.667 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn2cc(Br)cnc12 1309079275 KRGNEBHYUVMNAG-LLVKDONJSA-N 433.309 0.303 30 10 ICEE C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1312934095 JCIVEPSLTPVQOP-NSHDSACASA-N 426.882 0.709 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1358962444 PRSYJLCRLLFXRW-QWHCGFSZSA-N 435.535 0.064 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1359121825 KLAUAEYIPYIRSH-OAHLLOKOSA-N 447.583 0.201 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1359306247 ZZKGTLUKGZHNTI-ZLGUVYLKSA-N 435.525 0.617 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(F)c1 1360712592 AYJGAZMGUPQTAX-XJKSGUPXSA-N 438.485 0.835 30 10 ICEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)c1 1441740855 WBADNBGKJFPDHE-VHAMKEJYSA-N 428.536 0.910 30 10 ICEE CCc1nnc(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498853145 UEGKFTXOIBFETJ-VCASGEJDSA-N 443.552 0.914 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1507617611 XARHPNITHWHVLM-QGZVFWFLSA-N 437.497 0.899 30 10 ICEE C#CCN(c1nnc(C)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507624543 BHNPLWPREUWZGM-SFHVURJKSA-N 433.509 0.711 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1507752353 ZGYIJJSBTWJVQN-GJZGRUSLSA-N 425.580 0.509 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1508093872 WQFNWVJPUUPYBL-KRWDZBQOSA-N 426.477 0.795 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539219349 BYJDNXCWTSABQB-DZGCQCFKSA-N 434.547 0.669 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539219931 OPJPRTUYNMGMPO-KRWDZBQOSA-N 437.566 0.352 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCSC2)CC1 1539467535 UKESQGWMLYAUOQ-HXUWFJFHSA-N 434.566 0.250 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1539516805 DKABSQNCGATXII-DLBZAZTESA-N 439.607 0.899 30 10 ICEE CS(=O)(=O)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1555808359 AITJWCAMVDNKDO-KRWDZBQOSA-N 437.497 0.798 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc2c1=O 1558643507 XPBHJZFVVVSYLL-ORAYPTAESA-N 430.511 0.882 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1595798562 QNERQEPWQSLQRR-GJZGRUSLSA-N 432.568 0.254 30 10 ICEE CC(C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1607296703 PVICODZZHSJYAB-HFUDNHEJSA-N 436.538 0.799 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1617369230 LEEHUJUODRTEII-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1F 1617488360 XKQHXMROCQFTJY-UGSOOPFHSA-N 443.522 0.913 30 10 ICEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1623197188 DEMNNTBWOBXOSK-RDTXWAMCSA-N 428.468 0.598 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1626967019 ZKTMULALQBVRSU-IBGZPJMESA-N 442.516 0.952 30 10 ICEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1628662441 LZJZGNBKKLBGCW-CYBMUJFWSA-N 445.277 0.956 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 1644281846 NSGHRKKLOPGVAL-GOSISDBHSA-N 432.546 0.577 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1648500022 GCCQDAHUYFKPKY-BBWFWOEESA-N 445.582 0.538 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1 1687593694 XAMNYOKNEMZTSM-GOSISDBHSA-N 447.561 0.792 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1690047007 KBMJDYOYJZUWJO-ROUUACIJSA-N 437.566 0.745 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690122677 YZPCRVNRNLEFRK-MRXNPFEDSA-N 431.541 0.851 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1690662895 FWZVZVBZPMACBJ-INIZCTEOSA-N 446.533 0.366 30 10 ICEE C=CCSCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1690752321 DULSBJYCOPOGNF-UHFFFAOYSA-N 448.597 0.961 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1705612279 DHROFUCOYNCSTJ-KRWDZBQOSA-N 446.533 0.218 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(C)(C)C 1705938784 JEIJQWDJFHWVHK-UHFFFAOYSA-N 433.600 0.694 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(S(=O)(=O)NC)c1 1722385895 QLBIUIBYNILGSB-UHFFFAOYSA-N 440.529 0.430 30 10 ICEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722558941 DXADXZJBSFVUOQ-UHFFFAOYSA-N 437.526 0.680 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1740636969 KOTOJNDFRITHFY-UHFFFAOYSA-N 437.533 0.980 30 10 ICEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1743199470 KUDGNCMXIMUMST-AOMYARPXSA-N 438.492 0.477 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1748860094 VZEQWAXQYDHIDZ-KRWDZBQOSA-N 432.481 0.266 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749682241 PUBWMIPLPRZMTQ-OAQYLSRUSA-N 442.524 0.349 30 10 ICEE CS(=O)(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1750212493 AHKIHIJAMAERMV-UHFFFAOYSA-N 447.521 0.431 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1750381846 HOISVGWMTIDQTM-HNNXBMFYSA-N 435.531 0.486 30 10 ICEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181741 AWAOGJIDJAHFST-JKSUJKDBSA-N 437.566 0.700 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1760182897 KVMQBIHQQPYHTL-SJORKVTESA-N 443.529 0.859 30 10 ICEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760184143 VPZLEJBUPOPAJX-RDBSUJKOSA-N 449.624 0.267 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1760272570 ORXNMIOGYHREBC-UHFFFAOYSA-N 433.582 0.139 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2snnc2C)C1 1760535377 PSMAFYNLYQKDGD-QWHCGFSZSA-N 427.556 0.878 30 10 ICEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1770599791 KJLGHVHDZMWQLX-INIZCTEOSA-N 425.518 0.717 30 10 ICEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1770623563 WUSVBOKMFAKPBE-LIZYVENYSA-N 430.509 0.906 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cc(F)cc(Cl)c3)C(=O)C2)C1 1856919444 OEUYGMSAWNPPGU-OAHLLOKOSA-N 428.873 0.691 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@@H]3CCCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204890769 QRRQDOHNZAEWEP-HOCLYGCPSA-N 437.371 0.850 30 10 ICEE CC(C)N(C[C@H]1CCCN(C(=O)[C@@H](O)CO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215687225 FFCZTGHLFGRVDJ-WMZOPIPTSA-N 448.373 0.582 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 524464526 SJBAKXCNNPMLRI-UHFFFAOYSA-N 429.565 0.773 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1 555241198 IGQQUKLIWCWFJK-CVEARBPZSA-N 429.543 0.429 30 10 ICEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)C1CC1 555842303 BSJRUIBQWOELAO-UHFFFAOYSA-N 425.532 0.747 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 609446917 KZHKZQSJYPQPEG-UHFFFAOYSA-N 445.501 0.160 30 10 ICEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 755205746 KHAKAKMEUARQCM-QGZVFWFLSA-N 437.541 0.577 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1Cc1ccon1 765146910 YOSQAIGZCYIRGD-UHFFFAOYSA-N 426.502 0.582 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793467730 GCYZNEVVPHNEGV-UHFFFAOYSA-N 431.477 0.258 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(COC)cc(C(=O)OCC)c1 813654476 RPVGMMDDFSTWAA-MRXNPFEDSA-N 429.516 0.821 30 10 ICEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 815415844 FIIMJWBVRMHCMP-UHFFFAOYSA-N 449.485 0.528 30 10 ICEE C=CC1(CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1136239669 IHOQFTBRPKVFTR-AWEZNQCLSA-N 429.539 0.609 30 10 ICEE COC(=O)c1coc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)c1 1251668865 JAAJNVXFXICTPE-UHFFFAOYSA-O 434.494 0.920 30 10 ICEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CCS2 1256193155 WYEWTUINZNJHJV-QOIQLJKSSA-N 427.548 0.784 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286382495 SDEIZCHFICZEAM-AWEZNQCLSA-N 430.490 0.077 30 10 ICEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286507246 FPDWXRBZWJSICT-OAHLLOKOSA-N 445.574 0.147 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1286555147 KFFHZCOLWZUYPZ-SQNIBIBYSA-N 437.566 0.830 30 10 ICEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1286737766 OKLCDMYLHFGKSE-STGLLQLASA-N 446.533 0.861 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286823495 VLGDZXKYHFCISZ-KRWDZBQOSA-N 430.534 0.676 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCNC(=O)C(C)C 1300410368 MZPHYYHNXYGOAH-MRXNPFEDSA-N 440.570 0.233 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1300499199 QTDNYFZIIOIMLV-SFHVURJKSA-N 437.610 0.950 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1443358746 SWKLRSIDWCIVML-WIOPSUGQSA-N 438.572 0.809 30 10 ICEE Cn1c(=O)nc(O)c2c1nc(Br)n2CC#CCN1C(=O)c2ccccc2C1=O 1459228308 LPPKOOMZUKZRDO-UHFFFAOYSA-N 442.229 0.898 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C(=O)NC 1507953200 DSOSFGVBDNIDTN-HUUCEWRRSA-N 428.559 0.396 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1508084364 AUNGGMYFFNZNFV-UHFFFAOYSA-N 431.497 0.516 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)C1 1508108391 GOZSYCPAPBCSCN-WMLDXEAASA-N 448.549 0.817 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1508135231 LDLUQDOELCRDRB-UHFFFAOYSA-N 440.547 0.789 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1510153079 CBYVVWVVJSTEOS-AWEZNQCLSA-N 433.538 0.875 30 10 ICEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1517598540 AXNMEHONXCLQDH-OAHLLOKOSA-N 425.449 0.506 30 10 ICEE N#C[C@]12CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]1CS(=O)(=O)C2 1538766203 RRGOUGBMJPBSEP-FABXCBLPSA-N 439.287 0.927 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1539430438 JYIAZIFJTQCCHC-PGRDOPGGSA-N 432.569 0.990 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)c1 1542111618 MUFKRRLJJPMDCD-UGSOOPFHSA-N 435.527 0.854 30 10 ICEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555263831 WTPXUFNQBCWMSZ-INIZCTEOSA-N 430.488 0.994 30 10 ICEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594667814 ARKCATJIVLNMDS-UHFFFAOYSA-N 433.557 0.363 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595465854 AACFSXSGKGKKMH-UHFFFAOYSA-N 443.483 0.711 30 10 ICEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1634228951 AIIIDJBHPIAVJF-UHFFFAOYSA-N 444.536 0.392 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1634411773 RDQDYWYZESOPRL-JKSUJKDBSA-N 443.570 0.617 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1)c1cc[nH]n1 1643478820 JBOQVXFPPWERBO-MRXNPFEDSA-N 427.461 0.858 30 10 ICEE CNC(=O)CCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1649678455 KJSKAKKNJZSTDT-UDJKBAMHSA-N 445.524 0.661 30 10 ICEE C#CCN1CCN(C(=O)CN2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1655170127 KLAUGZOKCOSFKM-HSZRJFAPSA-N 442.564 0.881 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 1671155513 YSZJITJKDFETAP-UHFFFAOYSA-N 425.454 0.788 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C4(O)CCOCC4)CC3)CC2)cc1 1684257426 JLPSKNOOSOGRRV-UHFFFAOYSA-N 448.545 0.896 30 10 ICEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1689883856 AGSIODIYDDTCHR-UHFFFAOYSA-N 449.519 0.610 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689996596 KKTGCZMQFQDBGW-SJORKVTESA-N 445.549 0.045 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1690103892 ITXQFDASTGFPJM-INIZCTEOSA-N 437.566 0.573 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CCC)C2)CC1 1690111648 GSPUQANJGUPCEK-ZWKOTPCHSA-N 437.614 0.375 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1705626879 MHNJYRURGLNKBP-UHFFFAOYSA-N 444.492 0.341 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1705716321 HCKIAFBQTXTDAU-OAHLLOKOSA-N 438.558 0.683 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CS(C)(=O)=O)CC1 1705843589 JIVAZKWODGJONS-CQSZACIVSA-N 447.583 0.058 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1705898418 KZKSZMXNXQVJMM-UHFFFAOYSA-N 428.493 0.933 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1705936149 KTDCIIHNHUTZCC-CRAIPNDOSA-N 446.595 0.786 30 10 ICEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712164642 NBFWHAFAVBQDBP-GJZGRUSLSA-N 445.503 0.778 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1722390985 VUWGRBPHHVDZOM-AEFFLSMTSA-N 434.566 0.610 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1726638149 CIPROTKFGIYXOZ-CQSZACIVSA-N 432.506 0.440 30 10 ICEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC(=O)N1C 1726722577 JKMJAOMXOAYFEZ-OYHNWAKOSA-N 437.504 0.874 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(O)CC2)n1 1740687412 DBWXDHXJWCZTNJ-UHFFFAOYSA-N 427.509 0.522 30 10 ICEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747363874 ZCBSMNBOLCXSLF-KRWDZBQOSA-N 445.549 0.810 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748647089 IPGZYLALKDHYLA-HCZVTKCGSA-N 428.493 0.915 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748804879 MEJPIAVPUZFQTC-RCCFBDPRSA-N 438.550 0.974 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1748817635 NJDYYYSXWFHPIX-GJZGRUSLSA-N 446.620 0.560 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749829883 ACSKKHLXSBGILC-JKSUJKDBSA-N 426.543 0.430 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCOC2)c1 1760128154 ABSMJVBQZOXUGF-JTSKRJEESA-N 438.488 0.437 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1OC 1760464326 FMXYAVGRJZVBHA-OWCLPIDISA-N 429.543 0.285 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CCO1 1767706859 CPELYWSEFBNYBC-GOSISDBHSA-N 427.509 0.346 30 10 ICEE COCC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769441776 DXZGLLPBBJYEHM-HTXNQAPBSA-N 445.524 0.806 30 10 ICEE Cc1nn(C)c(Cl)c1C(=O)NCC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851174800 QYCWGRGCFJGREU-UHFFFAOYSA-N 445.911 0.744 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620843 ZWPHKIJAVYMOAW-ZIAGYGMSSA-N 436.318 0.809 30 10 ICEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C[C@H](C)O1 503630567 WHRKIHBNVFELDX-HOTGVXAUSA-N 434.518 0.683 30 10 ICEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 603797380 DDUNKIOLEHUXCO-QGZVFWFLSA-N 443.500 0.590 30 10 ICEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 769717087 VRIVAUROAZFIEA-UHFFFAOYSA-N 448.233 0.682 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 783076669 UXZAFARKOHPUGG-KRWDZBQOSA-N 429.502 0.253 30 10 ICEE C#CCN(C)CCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 818584432 MQCJORFDWREHNE-UHFFFAOYSA-N 444.351 0.874 30 10 ICEE CN1CCC(C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1136630634 VLFOTEKOZVKQGC-BZUAXINKSA-N 440.566 0.761 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 1216426211 GMTOOEIAIPZHMI-UHFFFAOYSA-N 440.489 0.433 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286380832 DOZHHQXRKPNVHU-INIZCTEOSA-N 431.518 0.669 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1286411065 YKWVOSBRAVUXOV-FUHIMQAGSA-N 435.550 0.235 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300596813 XCSKVLVZNFEVDS-FHWLQOOXSA-N 449.577 0.747 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1303334829 NCZHSJHLCQJMGU-IICXIOTHSA-N 425.532 0.697 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1358976281 XXRUIHXDGUDUDV-UHFFFAOYSA-N 427.534 0.789 30 10 ICEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1 1358997140 GIRLEXGCPBTKAH-FQEVSTJZSA-N 425.581 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359335723 SOHYQWZEHHGXSE-IBGZPJMESA-N 441.554 0.246 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)CC1 1466745238 OPFMBLIISRTKTC-UHFFFAOYSA-N 427.477 0.884 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1478423289 ZMZHSKMEESMFBK-VPWXQRGCSA-N 427.486 0.633 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NC(C)C 1505081139 ZHEKODNIHGDSKL-IEZWGBDMSA-N 431.541 0.703 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1505136214 FIMXUNZWXPQEQW-UHFFFAOYSA-N 429.550 0.994 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCC2)CC1 1507738703 WBWBXSKSCCFNQS-HKUYNNGSSA-N 441.580 0.927 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1507983430 QHUQSLYXLPSTTG-KRWDZBQOSA-N 437.522 0.996 30 10 ICEE C[C@H]1CSCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1512571158 RHAPMDKOVONUNP-HLAUDOPJSA-N 445.549 0.869 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539427884 JSDGWQPKKKUIDS-NRFANRHFSA-N 431.610 0.707 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539453288 HOUDYCNZDWZVKS-DQRAZIAOSA-N 446.515 0.546 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCOCCS(C)(=O)=O 1541655340 XETKMTKIXCXZQT-UHFFFAOYSA-N 426.543 0.608 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1555993170 JUCRYNWQDNUWQW-ILXRZTDVSA-N 439.467 0.314 30 10 ICEE N#Cc1cn(CC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c(=O)nc1O 1557557286 VJWZNSGDEMBGJK-HUUCEWRRSA-N 449.389 0.884 30 10 ICEE C#CCn1cc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)cn1 1568548329 FIPSGRTXECPGRH-GOSISDBHSA-N 431.518 0.362 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2cccnc2)cc1 1587181195 SGPBNSWRWPQKCP-ZWKOTPCHSA-N 431.470 0.388 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1595506866 ORRBGBFKZJITBA-OAQYLSRUSA-N 428.493 0.966 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595664701 JCCCZWOPTFENRH-JKSUJKDBSA-N 440.570 0.479 30 10 ICEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1598202472 HERDKKUXNVGNMB-VGSWGCGISA-N 437.504 0.371 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc2c1=O 1611669444 XPBHJZFVVVSYLL-DJJJIMSYSA-N 430.511 0.882 30 10 ICEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1645998046 YTVMCNVIELAGGH-LVXYXVKQSA-N 431.514 0.459 30 10 ICEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1681805862 XXJGRHVDHSARKL-VKJFTORMSA-N 425.532 0.737 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1705582600 FEUFQWZHZBBXDP-SFHVURJKSA-N 435.513 0.882 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1705621629 JHQAHDHBBFOOJM-ZDUSSCGKSA-N 437.551 0.732 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](COC(C)C)C1 1705934886 ZZYRQZJNCSVFIJ-INIZCTEOSA-N 436.538 0.966 30 10 ICEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1711017160 CUQVYXXJMDDVBD-HNNXBMFYSA-N 433.538 0.577 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1722323503 FMQLCSKQKQJWJH-INIZCTEOSA-N 442.549 0.895 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722369677 DMTSETIQBLCWQK-SPPRZUHCSA-N 426.564 0.667 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N(C)C)CC1 1722443026 MOSDUXNUUYLFAT-UHFFFAOYSA-N 448.549 0.704 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnnn2C)CC1 1722580207 BFSOSECILUOZJN-INIZCTEOSA-N 436.542 0.190 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1722730613 XICKWGGYUSJXFH-MRXNPFEDSA-N 435.554 0.455 30 10 ICEE C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1723968773 IBOGCAUQLGVKDH-FHLIZLRMSA-N 442.517 0.214 30 10 ICEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1726446922 RDAWPCOFYGSVFQ-HMWBCQRISA-N 438.492 0.477 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCOC1 1730847877 YEEXKZPYWYUCOJ-QKKBWIMNSA-N 444.492 0.688 30 10 ICEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1731009976 GQZUSGYRYQAXIS-SJLPKXTDSA-N 441.517 0.827 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2n[nH]c(C)n2)CC1 1740705375 GMPYCOQFLMNINH-QGZVFWFLSA-N 426.525 0.807 30 10 ICEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740713350 DHLFCSCBBBTCLM-KRWDZBQOSA-N 435.513 0.330 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cncn2)CC1 1740965463 JJHOLNIUJVAIEU-HKUYNNGSSA-N 444.540 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740986590 BHRRMEINDVDCNW-LJQANCHMSA-N 440.614 0.419 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1748892585 SDONSXSSUDHKRV-FXAWDEMLSA-N 435.550 0.235 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1750201183 JUTGPMVTLKHNAE-PBHICJAKSA-N 447.558 0.837 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760530526 RKYUAWJOLUKUKE-STHPQGGCSA-N 435.525 0.689 30 10 ICEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2C1=O 1870149971 ULSAHBSPGZDXER-NSHDSACASA-N 435.444 0.950 30 10 ICEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)CC1 1891875579 VCFSMCFFQVWMSH-UHFFFAOYSA-N 447.499 0.613 30 10 ICEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCO)cn1 2164499540 XCSAKJQVQXQHJH-LJQANCHMSA-N 432.433 0.587 30 10 ICEE COC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2248415319 YOQRVVOLOBWSDK-UHFFFAOYSA-N 440.331 0.834 30 10 ICEE Cn1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623339 LVOJJSTXGCNMAM-KGLIPLIRSA-N 436.318 0.741 30 10 ICEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267268975 ALCGHLHGDGJEQO-UHFFFAOYSA-N 446.313 0.585 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)n1 2267496919 GJTDREHQXSKWIA-UHFFFAOYSA-N 448.289 0.801 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 22963253 GYVXBUPVZJTSKS-UHFFFAOYSA-N 426.525 0.446 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 116940459 IOFQEWCMIYONAB-MSOLQXFVSA-N 434.537 0.415 30 10 ICEE CC1(C)OB(c2cnc(N(C[C@H]3CCCCN3C(=O)[C@@H](O)CO)C3CC3)nc2)OC1(C)C 215694358 FKQWFPNBAFQESW-MSOLQXFVSA-N 446.357 0.479 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCc4c3cccc4S(N)(=O)=O)CC2)o1 440371138 AXFXLXFJHGUHLS-UHFFFAOYSA-N 444.517 0.604 30 10 ICEE CCNC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472461345 HKUBPHVBISWKLP-INIZCTEOSA-N 434.522 0.378 30 10 ICEE CS(=O)(=O)CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478028644 NSETXGCJTYRUHC-UHFFFAOYSA-N 442.563 0.789 30 10 ICEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)[C@H]1CCS(=O)(=O)C1 729332777 XKBDFOJUTTWLON-CVEARBPZSA-N 443.547 0.341 30 10 ICEE COc1ccc(CNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1C#N 746729608 BNEZSAGMAZIILI-UHFFFAOYSA-N 432.506 0.953 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771298484 WKTFORIECAVBGF-JLTOFOAXSA-N 433.486 0.111 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1C[C@H]1CCCO1 917768679 SBWWQCYGCPHUFR-CQSZACIVSA-N 433.917 1.000 30 10 ICEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1116556401 NYYLRIUFSYPCIJ-KRWDZBQOSA-N 439.534 0.932 30 10 ICEE C#CCN(C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 1125954493 WBNKLYVACOWOSJ-CQSZACIVSA-N 425.511 0.455 30 10 ICEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1141495651 HFPXOVXTDPOXAW-OAHLLOKOSA-N 434.518 0.120 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSCc2nc(O)c3ccccc3n2)CC1 1175515044 POOJKWZJOGJCAB-UHFFFAOYSA-N 449.558 0.571 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)CC1 1209543514 FBZTXXOOWNFIME-UHFFFAOYSA-N 449.533 0.685 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)nc1 1251128107 VDWLLKIRWPTXBU-UHFFFAOYSA-N 437.382 0.810 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1286609260 YZJBYASCZSHDLP-INIZCTEOSA-N 441.554 0.068 30 10 ICEE N#Cc1cn(CCC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(=O)nc1O 1291630426 BCTWUCLPFJAZLY-UHFFFAOYSA-N 427.436 0.905 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301223634 ZWEARCXQVHXSAZ-IAGOWNOFSA-N 440.570 0.682 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN2CCSCC2)CC1 1310216787 XHDONWOVJGPCSF-UHFFFAOYSA-N 437.591 0.853 30 10 ICEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358911610 ZELLEMWSSJVKRV-GOSISDBHSA-N 427.553 0.777 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@H]43)CC2)cc1 1471419857 QEDGFGXXLPLZDX-OALUTQOASA-N 446.529 0.465 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC(=O)N2)n1 1507717224 RSJWTPKQFRJUPD-IAGOWNOFSA-N 427.509 0.543 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507868504 LDDOKYZNHJFFRY-XQQFMLRXSA-N 447.901 0.478 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1518164135 DCKKUXSSVUSBID-QGZVFWFLSA-N 432.506 0.718 30 10 ICEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1519191916 KSCBQQKKIQWTHF-ZCXUNETKSA-N 431.541 0.870 30 10 ICEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539104017 AMQKDIVLZBPTDI-UHFFFAOYSA-N 441.521 0.416 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539704660 GKPSVFXBCPJTAG-IAGOWNOFSA-N 440.570 0.492 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539722778 RPQGUOCVISMHON-OAQYLSRUSA-N 447.540 0.824 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1544477310 UQOSXLRHDMQPRQ-KRWDZBQOSA-N 435.322 0.913 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588059873 WTXAXFIIFUYKQM-MRXNPFEDSA-N 443.595 0.139 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2cncn2)C1 1595467307 RFSYXALIOITHSA-MRXNPFEDSA-N 429.529 0.932 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1595550332 COOATWWXDMHOQT-RHSMWYFYSA-N 426.477 0.808 30 10 ICEE CN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1617615820 GBGPCYRFIXASMN-LSDHHAIUSA-N 449.512 0.403 30 10 ICEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417494 GSFVVDZEFBCYBI-QZTJIDSGSA-N 442.559 0.313 30 10 ICEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCC#C[C@H]2CCCCO2)cc1C 1637185506 FEXHWQUXFOPRFM-IEBWSBKVSA-N 435.546 0.905 30 10 ICEE COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1644133679 HKWSEZZAFRSOQA-UHFFFAOYSA-N 441.488 0.458 30 10 ICEE Cc1cc(N2CCC[C@@H](N3CCN(C[C@@H](O)CC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1658215248 FVNRRURHEXGDBB-VQTJNVASSA-N 444.580 0.913 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1686084908 VWRFVNIRHPJSBK-PXNSSMCTSA-N 432.502 0.653 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1689875356 QDFWWDREUDTXMM-OKZBNKHCSA-N 438.598 0.849 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1690660521 JHGVWXPLVMPIOZ-NSHDSACASA-N 436.460 0.889 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1690672547 VXIVAEZOLZUMMU-UHFFFAOYSA-N 438.540 0.933 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@](=O)CC)CC1 1705634382 UACLFAPVDRCVQV-GDLZYMKVSA-N 449.602 0.872 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1722397660 TUNAXLJSAIKHQP-SFHVURJKSA-N 434.566 0.170 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722693419 MQCBFWSFFZBJSD-QGZVFWFLSA-N 449.533 0.888 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1723954855 KYKGGJFIRGPYPA-IUCAKERBSA-N 443.274 0.605 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1740991903 HYJOOZFZYRYAKV-KRWDZBQOSA-N 447.565 0.808 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1748815367 PRFAPJKJDDRGBZ-HZPDHXFCSA-N 435.550 0.673 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1748962412 HJHZVMLFYWJYDE-APWZRJJASA-N 441.623 0.704 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749114815 HNJIBIQANPEOLO-SQNIBIBYSA-N 434.541 0.739 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CCO1 1750388419 OTEJHQWQPJUVRF-YESZJQIVSA-N 439.538 0.352 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1760451022 YEJAFSCJUYLVDS-MRXNPFEDSA-N 425.555 0.865 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255630661 NEWGSTHCOJLMAK-STQMWFEESA-N 436.318 0.809 30 10 ICEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2255887342 YCVQMJMIDQEKOS-UHFFFAOYSA-N 433.318 0.973 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267872364 SNRKSWSFEWEHIV-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 466586521 PWRQXTFUZXZESS-VAMGGRTRSA-N 425.533 0.773 30 10 ICEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCN1CCO 471053453 OQXYHENIXCOEOE-MRXNPFEDSA-N 427.505 0.733 30 10 ICEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 508800236 DVQUWBZOOFGMTD-CQSZACIVSA-N 436.542 0.590 30 10 ICEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 523180999 RCIUDDIWGQIURU-UHFFFAOYSA-N 432.571 0.817 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccccc1C#N 538497635 FXEODUQBQUVACV-UHFFFAOYSA-N 431.477 0.732 30 10 ICEE Cc1nsc(N2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N 572447117 YIILEXWYDWPNRW-UHFFFAOYSA-N 447.608 0.447 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 731893751 UVTXWVKCONMHCJ-CQSZACIVSA-N 443.957 0.238 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnn(C)n2)C1=O 782885524 UTWRENLVLMLWDS-CQSZACIVSA-N 434.501 0.549 30 10 ICEE COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(I)c1 1148392888 MQVVODOABFQWIG-UHFFFAOYSA-N 440.197 0.864 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286342392 QBEPFBNAFGZNEZ-INIZCTEOSA-N 437.570 0.640 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1286376126 FXCPUJPOEVVZSF-LOKFHWFJSA-N 431.584 0.228 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)C1 1286800068 FJIXKVYTPWWNFW-LSDHHAIUSA-N 442.586 0.832 30 10 ICEE N#Cc1cn(CC(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)c(=O)nc1O 1294147839 SVRTVBSAEJSLGK-UHFFFAOYSA-N 430.509 0.051 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300495158 DRTAHYWFVYMMJY-IAGOWNOFSA-N 435.550 0.325 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC2CCOCC2)CC1 1300682580 HUGZPUDCKQUKTJ-QGZVFWFLSA-N 438.598 0.850 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)CCO1 1315006774 HPLSGGJBRBLZLT-LJQANCHMSA-N 441.536 0.736 30 10 ICEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965899 DHGZTQVJVSMFJI-QGZVFWFLSA-N 445.545 0.880 30 10 ICEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359123848 SGOXECFUYFVYNK-HKUYNNGSSA-N 429.569 0.965 30 10 ICEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)C2)c(F)c1 1456722013 BZRVWLSVKDZUIR-KHQOZGCUSA-N 448.520 0.851 30 10 ICEE C[C@H](C(=O)N1CCC[C@@H](n2nncc2I)C1)n1cnc(C#N)n1 1471494416 LGKOSVRAVUZQQW-NXEZZACHSA-N 426.222 0.771 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)NCC)CCC2)CC1 1507727630 RCIXIEUZZWKWQC-UHFFFAOYSA-N 427.553 0.462 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](COC)OC)CC1 1507740450 MOCUKKNQICWQIZ-IBGZPJMESA-N 443.552 0.767 30 10 ICEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507751166 LGJZFSGRDKUDDC-GOSISDBHSA-N 448.593 0.129 30 10 ICEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1538760546 BUZWHGHOIIYUOJ-MAUKXSAKSA-N 425.532 0.726 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1539257783 NWDKVZNHHBVITP-UHFFFAOYSA-N 433.516 0.843 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588059391 NDKNAAGNVCLTOA-MRXNPFEDSA-N 431.518 0.380 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1588813304 WYDJUNWYXNWMCD-SFHVURJKSA-N 442.545 0.083 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595501516 WTNBQQXGKISTIK-UHFFFAOYSA-N 443.533 0.637 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1621835712 YSEHFVIQWAOLOF-UHFFFAOYSA-N 439.335 0.767 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1632965860 FJUVCYXUIPTCNU-MRXNPFEDSA-N 428.555 0.635 30 10 ICEE C#C[C@@](C)(CC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1640968557 LGZNYCIBYPMLRN-QHCPKHFHSA-N 437.500 0.973 30 10 ICEE Cc1ccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 1650977747 KUFKHYBPIWJDDF-LJQANCHMSA-N 449.577 0.323 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)CC1 1673454685 UWLJBCYKXXCFBH-HDICACEKSA-N 449.577 0.913 30 10 ICEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1690671921 COASLTAUBPQIIX-UHFFFAOYSA-N 433.463 0.911 30 10 ICEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1697045190 LASKIAFRPHGXLY-INIZCTEOSA-N 432.506 0.755 30 10 ICEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1698310873 CYAHKQOXHMBOAQ-HDMKZQKVSA-N 426.518 0.896 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705559922 GZDKTVMCACDQRA-HZPDHXFCSA-N 446.533 0.835 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1705903654 ZVRPBAVIQICJOM-HNNXBMFYSA-N 441.554 0.318 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)COCCO1 1706870135 WLFAVHOIQWYAMQ-KDOFPFPSSA-N 426.543 0.824 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712693082 JJTOOJNLGSUNDX-DCOQFNDQSA-N 434.522 0.695 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722364362 LANORYXZRINDHW-CABCVRRESA-N 428.580 0.996 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1722383844 KLRFKESQJOCBMA-INIZCTEOSA-N 447.521 0.008 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(C)c2)CC1 1722692411 LDDRYPFFGVVQBR-UHFFFAOYSA-N 426.525 0.934 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722701755 CDMODHBNJUPMOJ-QFIPXVFZSA-N 437.504 0.993 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1722703888 KNHXLDUCQASQAV-NRFANRHFSA-N 434.541 0.585 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729220164 LMSZNMOGPVZJAN-WBVHZDCISA-N 437.570 0.288 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1740621954 QUHLHBKJBRIYOW-LSDHHAIUSA-N 437.547 0.335 30 10 ICEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740625978 UPGULVMYHDYGRL-RXVVDRJESA-N 446.577 0.927 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966192 WTXWHKSDLOMTIX-LEWJYISDSA-N 432.525 0.337 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682315 RINXKXCSEVMDSE-XMSQKQJNSA-N 448.568 0.973 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1760096820 UYHIKDMFPUGLJZ-ZDUSSCGKSA-N 438.941 0.869 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1760218220 ATURZLPRJAEGRO-MRXNPFEDSA-N 438.575 0.468 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760555233 AJXGQJZAZDYQPL-LSDHHAIUSA-N 434.584 0.642 30 10 ICEE CC1(C)COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1761566868 DSJHIJXNRLBKIG-JKSUJKDBSA-N 438.554 0.020 30 10 ICEE CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764826705 KEKNTUUJUMRPQD-QBEKEKFNSA-N 442.568 0.583 30 10 ICEE CCOCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767946459 HKUPEFVHZZTEBV-VXPUYCOJSA-N 445.524 0.646 30 10 ICEE N#C[C@H]1CC12CCN([C@H]1CCCCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C1=O)CC2 1855394720 YSYKODXSHGYRQI-AEFFLSMTSA-N 434.562 0.944 30 10 ICEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)c1 1858977498 NBBCEKXHQBQNFH-UHFFFAOYSA-N 430.442 0.603 30 10 ICEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 111001523 ZLEAILBFBTWVLC-INIZCTEOSA-N 443.510 0.896 30 10 ICEE O=C(O)COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 254478717 MPHNPFRSJBMIFD-UONOGXRCSA-N 430.479 0.566 30 10 ICEE CCOC(=O)C1=C(N)n2c(sc(=Cc3cccnc3)c2=O)=C(C#N)[C@@H]1c1cccnc1 254624451 HJFIULLLRWQZBM-KRWDZBQOSA-N 431.477 0.691 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 509473333 RTUOOOAPPSCHON-SFHVURJKSA-N 438.532 0.862 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514305744 DTNDPBGZCTYSAE-MRXNPFEDSA-N 445.516 0.884 30 10 ICEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 524367071 JQXYKVYKPCJZEZ-UHFFFAOYSA-N 427.530 0.905 30 10 ICEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 546177190 VPXYZAXHMNLCQC-UHFFFAOYSA-N 447.542 0.905 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 603798512 MPIKEHRCNGSEBF-KRWDZBQOSA-N 443.525 0.363 30 10 ICEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1 614909111 AXJCJMKOGYDNMR-UHFFFAOYSA-N 441.553 0.979 30 10 ICEE N#CC(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1CCN1CCOCC1 755627898 FEQOROOBRXTFRG-MRXNPFEDSA-N 443.554 0.577 30 10 ICEE Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(=O)n(C)c1=O 790870584 YRJZZOOKCJLIAW-ZZXKWVIFSA-N 442.375 0.493 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC3)CC1 803415727 LZEDMHBBXOWNAA-UTKZUKDTSA-N 436.516 0.555 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837506557 AQMXYACGUKYQIV-UHFFFAOYSA-N 438.513 0.166 30 10 ICEE 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@@H]1CCCO1 1138447248 OXXOAWDOAFLMGE-JSRQGNBESA-N 426.535 0.954 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1286399935 RKSDJVSKOJPSLT-MRXNPFEDSA-N 449.558 0.435 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1286408657 FFLIYPXOTQOYDE-GOSISDBHSA-N 444.517 0.136 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOCC(=C)C)CC1 1286491747 ADKWJNQKNFKJFX-UHFFFAOYSA-N 428.537 0.959 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286791159 NZSBSEHEEYIRHF-UHFFFAOYSA-N 445.568 0.440 30 10 ICEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300423020 FQPMRBWXEOLIAK-GOSISDBHSA-N 436.516 0.980 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1300539090 XXACWGAROSDWSL-GOSISDBHSA-N 428.518 0.322 30 10 ICEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1300575047 CZCVOZCDSNVYFB-SOUVJXGZSA-N 443.547 0.068 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301579149 OKIAXCTUKLSZOL-SFHVURJKSA-N 449.581 0.580 30 10 ICEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1306488401 YTQIFULLKOOHQS-LIMHQNJXSA-N 435.488 0.842 30 10 ICEE COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1308012168 NKFUXWUOGDYIKL-OAHLLOKOSA-N 438.506 0.423 30 10 ICEE C#CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1318977298 JPGMZOOJOKSDMP-DLBZAZTESA-N 428.470 0.412 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1358984496 YOSYGJOPRTVRKI-SFHVURJKSA-N 449.515 0.883 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1359024568 PVCCOXQKVJOLRL-MDCZIUGASA-N 426.539 0.196 30 10 ICEE CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCC1 1502395733 HRWSOORDGVVMTD-UONOGXRCSA-N 425.559 0.791 30 10 ICEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCOC(F)F)c1 1505317455 MMBDZRBZLRBDCM-HNNXBMFYSA-N 445.430 0.593 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1508130223 GZUDRXSCIVNIRP-UHFFFAOYSA-N 434.522 0.680 30 10 ICEE CC(C)(C)c1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508487744 NIGODONALVLDII-IKZORZIJSA-N 427.509 0.817 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539210122 AUBMIJZTMDUCBD-ZWKOTPCHSA-N 446.577 0.631 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1539265420 FWNVWVFXXPEUJV-SJORKVTESA-N 437.591 0.827 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 1563793700 HRBDHZRHWWWIEE-KRWDZBQOSA-N 435.550 0.379 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588029213 FDFWROQXTKQDPQ-HUUCEWRRSA-N 431.584 0.561 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1588293172 PPRNRWPSBZYJKP-HNNXBMFYSA-N 426.506 0.815 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1593695984 KFMQXTYKIZIMCV-GJZGRUSLSA-N 429.543 0.870 30 10 ICEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1595895297 JBHTVLHXFMNEPM-HNNXBMFYSA-N 432.575 0.997 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1607351687 AGBAYPXFWMCHGE-MRXNPFEDSA-N 448.545 0.903 30 10 ICEE CN1CCn2ncc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2S1(=O)=O 1611526942 AIFCSCISLMLQSL-INIZCTEOSA-N 428.474 0.314 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1618842030 GEKQZQULOCQMFO-CVEARBPZSA-N 429.506 0.081 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nncn2C)CC1 1628116474 GPMFKMPIIZUIGY-INIZCTEOSA-N 445.549 0.617 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@H]3CCO)CC2=O)cc1Cl 1635345901 LGMXRKDGKWPHTB-DZGCQCFKSA-N 425.894 0.573 30 10 ICEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1639667286 DZPYWHBPXPGNQD-QGZVFWFLSA-N 426.498 0.815 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1653807035 NXHGSGIIPGCFQP-AWEZNQCLSA-N 441.531 0.031 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(C[C@H](O)CC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1658215247 FVNRRURHEXGDBB-UXHICEINSA-N 444.580 0.913 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 1665178969 IKBLKADIQSHTTA-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1678662265 GYPVCDMXTVUVSK-UHFFFAOYSA-N 425.580 0.960 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689988103 JDURSVWJZSHTDS-KURKYZTESA-N 448.593 0.588 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690667639 BSBDLFGCGHNNRV-OAHLLOKOSA-N 432.492 0.952 30 10 ICEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1694746739 YGXSMIDMIVPDGP-UHFFFAOYSA-N 431.566 0.974 30 10 ICEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1695381799 NDJMZSCBUWZAKW-BBWFWOEESA-N 439.586 0.882 30 10 ICEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1698435009 UHDACXKGISWKNU-CZUORRHYSA-N 432.547 0.806 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705571655 FAAMGYJSXLMUES-XSLAGTTESA-N 440.566 0.911 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705580046 BYGKSIMFRMOLFQ-SQNIBIBYSA-N 444.561 0.506 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@]2(CCOC2)C1 1705936562 TWDBTHBLQPZRJA-LPHOPBHVSA-N 426.539 0.769 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722362872 WSJQUPUFIFJONS-QRWLVFNGSA-N 442.501 0.863 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C1 1722712884 BBBNZMQWYSLATB-ZWKOTPCHSA-N 431.541 0.175 30 10 ICEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)CCOC1 1728778523 HXZSNJJXFPMUMC-IBGZPJMESA-N 438.554 0.706 30 10 ICEE Cc1ccc(C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 1866637923 AWDRSGRAJKOAFM-QGZVFWFLSA-N 430.486 0.846 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248412369 JFRGTDPLEOUZEL-NSHDSACASA-N 440.331 0.834 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2317602471 GBRQIPZXLIAJDD-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn3ccccc23)c1=O 729671710 WEINSGHOKALYSR-CQSZACIVSA-N 425.514 0.622 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@H]1CCCO1 753360890 XLPBNRLSAKWLKE-CQSZACIVSA-N 444.513 0.233 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)ccc1F 781528789 NAKRUYRRCPNSME-UHFFFAOYSA-N 445.538 0.976 30 10 ICEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c1=O 794582745 RPFDKNFWCOOGJJ-UHFFFAOYSA-N 447.532 0.913 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 812441000 RRWWJQSWMKAVQC-QZTJIDSGSA-N 435.550 0.643 30 10 ICEE COc1ccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c(OC)c1 1180990419 RQFCGSWUATVPNF-GFCCVEGCSA-N 439.428 0.274 30 10 ICEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1286358761 LAWXZUKNEUUTJW-UHFFFAOYSA-N 438.941 0.870 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286788616 ZUXKYXAJIHHWJJ-ROUUACIJSA-N 445.568 0.565 30 10 ICEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286822390 DMKKBEKXINOWND-CHWSQXEVSA-N 429.572 0.021 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1288825107 AUZZUCZXNUGTRP-IYOUNJFTSA-N 436.517 0.789 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1300465505 NNFJDYNUETYXCV-KRWDZBQOSA-N 435.554 0.584 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300732777 PCPMDJYFOFHUEV-INIZCTEOSA-N 447.609 0.572 30 10 ICEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1307961991 OJHOGBSMKOBXDF-UHFFFAOYSA-N 433.530 0.182 30 10 ICEE COC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1315116621 DXIOTBPCKFQUGX-MRXNPFEDSA-N 431.497 0.608 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1358890533 QQYBRBAUNBUOSZ-ZNMIVQPWSA-N 445.636 0.918 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358954956 BFTFZBAWOMDHMS-IXDOHACOSA-N 435.550 0.566 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359132539 ADFNYECHYKDUOA-BEFAXECRSA-N 439.538 0.804 30 10 ICEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359159531 YDQWNIAXXWBIKD-CABCVRRESA-N 446.599 0.326 30 10 ICEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1504964377 HRBJLVUZSPTJGX-UZLBHIALSA-N 437.520 0.608 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508090314 HAQQPPJWPPJJOO-FQEVSTJZSA-N 447.565 0.457 30 10 ICEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1=O 1517412541 WGYNLJGPTHVPOI-KSFYIVLOSA-N 437.504 0.909 30 10 ICEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876702 YQDREVRXGOEWMM-FVJLSDCUSA-N 437.541 0.861 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1544477311 UQOSXLRHDMQPRQ-QGZVFWFLSA-N 435.322 0.913 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1557330706 GUCRYQXDTYVLGD-HIFRSBDPSA-N 442.563 0.290 30 10 ICEE C#CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C(C)C 1560164968 WCQQGRMCLLDZJJ-UHFFFAOYSA-N 427.505 0.902 30 10 ICEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587803900 PNQUTVSICWOUED-UHFFFAOYSA-N 429.525 0.101 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1587860823 CALFVQSABPVYBX-BZSNNMDCSA-N 438.598 0.943 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 1631545748 QXSIKDNBSZTGCT-DYVFJYSZSA-N 448.588 0.607 30 10 ICEE CN(CC(=O)NCCn1cc(C#N)c(O)nc1=O)C(=O)c1ccc(Br)s1 1633549948 FXSNQYFQCNHRNI-UHFFFAOYSA-N 440.279 0.533 30 10 ICEE 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 1644787936 VIQHVRNSLCFHRA-KPOBHBOGSA-N 442.534 0.872 30 10 ICEE C#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 1666227145 DFQHELJWHHSDOE-SFHVURJKSA-N 426.560 0.568 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690228656 CBQYNUCPQVKXGH-UPJWGTAASA-N 435.344 0.939 30 10 ICEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690234332 AMVHKLFJTKBRQR-VXGBXAGGSA-N 425.287 0.185 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1705544693 AQVFFSDLKWTKKH-UHFFFAOYSA-N 425.536 0.357 30 10 ICEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705728908 BXXHDSCJQKZIPG-INIZCTEOSA-N 445.524 0.580 30 10 ICEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705912427 JPLABLWGKFZBLX-SJLPKXTDSA-N 440.504 0.794 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C[C@H]1O 1711460422 FNUSKAHAJLGZGE-LZJOCLMNSA-N 427.461 0.328 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722337368 YCAKVMCAFLOVGZ-GOSISDBHSA-N 427.553 0.777 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722436482 HZEDZYCEDDUQLH-ZWKOTPCHSA-N 436.582 0.556 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC)CC1 1740706836 FPMJTQZBYRLBAV-UHFFFAOYSA-N 444.561 0.664 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1748672545 VBKVLXJWAUERDE-RCCFBDPRSA-N 438.598 0.943 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1748770383 AWCRWRJQNCIWSD-LBPRGKRZSA-N 436.929 0.897 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1748992835 HOVSYCIRCNSSBN-UHFFFAOYSA-N 436.495 0.916 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCOCCS(C)(=O)=O)CC1 1748993370 WLKINTBVWRKRBB-UHFFFAOYSA-N 445.589 0.994 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC#C)CC1 1749014294 GWXJTGRWDQSKLJ-QGZVFWFLSA-N 449.602 0.512 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749038929 MZGFMRUAHKVFNE-KBPBESRZSA-N 425.536 0.187 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749671074 YPKPRAHQVLJJQI-CHWSQXEVSA-N 429.447 0.604 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CC2)CC1 1749721366 IENILACGIZBSAV-UHFFFAOYSA-N 436.582 0.647 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccccc2)CC1 1760254166 PTJALEKBNGFRSJ-QGZVFWFLSA-N 432.550 0.723 30 10 ICEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760287523 VJVZSNOOIQYDJO-QGZVFWFLSA-N 446.577 0.767 30 10 ICEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760381540 PVQVBTWOEFYAMN-IBGZPJMESA-N 432.506 0.631 30 10 ICEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1761170705 XYCWCPKJQYREGE-SFHVURJKSA-N 436.520 0.304 30 10 ICEE C=CCN([C@H]1CCN(C(=O)Cn2c(=O)sc3ccccc32)C1=O)[C@@H]1CCN(C)C1=O 1854282752 OPIFXELSQQXRET-CVEARBPZSA-N 428.514 0.909 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)[C@@H](C)C2=O)CC1=O 1857095199 KNJOTRQHDBNRHO-QWHCGFSZSA-N 441.456 0.747 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1889433697 KRLNOVOKNKXMPF-UHFFFAOYSA-N 433.574 0.962 30 10 ICEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255623495 NVNJNTZUQREGLX-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE Cc1c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255631256 WDJCAPWHLAPCLY-CYBMUJFWSA-N 438.334 0.643 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765143827 BKAGTENYHTVAAN-UHFFFAOYSA-N 434.481 0.623 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN2CCCN1CC2 774275538 QLLMVWTZQJVZSJ-WMZOPIPTSA-N 433.578 0.790 30 10 ICEE C=CCOCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 779756777 VCUNGGXQVBFNNC-BAOKRACBSA-N 440.547 0.473 30 10 ICEE C#CCN(CC#N)C(=O)C[C@]1(C(=O)N(CC#C)CC#N)CCN(C(=O)OC(C)(C)C)C1 799088732 PUJXCFYZWKGJMH-JOCHJYFZSA-N 425.489 0.974 30 10 ICEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801289647 HNLAVXQLNZKRHX-FQEVSTJZSA-N 426.477 0.217 30 10 ICEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2)cn1C 1129604593 HNVXIVAAJCTCDG-UHFFFAOYSA-N 442.501 0.986 30 10 ICEE C#CCN(CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C 1154455901 DJSQKKJLYKJJQN-UHFFFAOYSA-N 430.505 0.748 30 10 ICEE C=CCOC[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 1155779376 LBLPBMVTFYZYRS-MBJXGIAVSA-N 432.395 0.832 30 10 ICEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113203 VGTSSJSVOZIGGV-XXBNENTESA-N 441.532 0.969 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 1253177543 RFRIHGJFCJZHPO-UHFFFAOYSA-N 446.327 0.148 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1286547306 OBXJWRXFYHWCMY-WMZOPIPTSA-N 434.541 0.693 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1286628502 CILOXUIECQPAOI-UONOGXRCSA-N 446.961 0.326 30 10 ICEE C=CC1(CC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1290930360 DEVFIXZFGRRQKA-AWEZNQCLSA-N 429.539 0.561 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCOCC2)CC1 1292133204 GZDLWBZMSZYPIY-QGZVFWFLSA-N 431.541 0.790 30 10 ICEE C=CCn1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1293999934 NVROOMRNGXWZGN-UHFFFAOYSA-N 440.526 0.171 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1300429788 CJERMTMUHSQNPU-AWEZNQCLSA-N 436.513 0.835 30 10 ICEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1301322993 NMNJGPCZZSGRJE-KRWDZBQOSA-N 437.504 0.647 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1301569270 USFSAIXAFATJOJ-HUUCEWRRSA-N 448.615 0.020 30 10 ICEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359081563 GMBJJPQEFMPGHJ-CYBMUJFWSA-N 446.309 0.704 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2OC)CC1 1507722033 PEIBLGYNOQPTJZ-KRWDZBQOSA-N 446.577 0.895 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507746566 SAPCOJYQAZAMMJ-KGLIPLIRSA-N 429.568 0.644 30 10 ICEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507928744 IEPYFIMZFROINA-UHFFFAOYSA-N 443.552 0.798 30 10 ICEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1508084638 CRBCWEHYGHXJQN-AWEZNQCLSA-N 439.476 0.748 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCc2nccn2C1 1510225476 VJSDYRAWUXAUSP-KKUMJFAQSA-N 434.526 0.076 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539201093 VWASVQGDIYZOBQ-QGZVFWFLSA-N 435.550 0.567 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540907470 XYHCCAWWIOMNDA-KRWDZBQOSA-N 449.581 0.798 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)CCO1 1554444079 MKKAXTSCGUOEGP-IBGZPJMESA-N 441.536 0.736 30 10 ICEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 1556660243 JHJLEYCOTHRHIJ-UHFFFAOYSA-N 427.482 0.749 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(I)c2)CC1 1558072924 HTOLWWFIAYSLGU-UHFFFAOYSA-N 439.300 0.578 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 1563453786 QOEOHAHDIATLCF-UHFFFAOYSA-N 448.471 0.697 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1587640158 PJJAYZOSBRBOQB-GDBMZVCRSA-N 438.554 0.128 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1588149355 PADXOZQBYHUNMM-UHFFFAOYSA-N 444.586 0.715 30 10 ICEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1617728509 GTRZWYHHXWCCKO-MRXNPFEDSA-N 437.547 0.875 30 10 ICEE COC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619715581 AHDQNWXDWLKEJD-OFGXNVERSA-N 429.481 0.228 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1626966413 BWCJBNWPSJVECZ-SFHVURJKSA-N 434.537 0.296 30 10 ICEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034218 JSMNAFQRVVIQPT-PKOBYXMFSA-N 448.545 0.518 30 10 ICEE COC(=O)CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1648077427 YUIFHJTUSXVYHC-UHFFFAOYSA-N 448.545 0.397 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1698222022 JLNPYJUMIFLFEM-UHFFFAOYSA-N 428.493 0.775 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)CC1 1705639959 ZUMMONHZCKXPNZ-MOPGFXCFSA-N 434.610 0.810 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)CC1 1722437166 QMNCQJGSMLGCTF-QGZVFWFLSA-N 429.525 0.463 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1722536313 DEUQBSYKJOUDBZ-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C#CCN(c1nnc(C)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740617636 UTDZUBGKQQJRQB-CVEARBPZSA-N 449.499 0.866 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1740641546 KPEXXOOREVAGDM-UHFFFAOYSA-N 440.529 0.363 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1740717066 IIOCUMLCXBLTMC-INIZCTEOSA-N 439.607 0.899 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748802677 QXFKVSYVQNMXEU-MRXNPFEDSA-N 437.566 0.692 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1760117663 RXJFQLICMJFAFF-DOTOQJQBSA-N 447.565 0.578 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760356432 NFTPTWVODFWXSR-SFHVURJKSA-N 445.568 0.566 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1761238029 HNWRWXRMRPDIJT-IRXDYDNUSA-N 446.556 0.088 30 10 ICEE N#CC1(c2ccccc2)CCN([C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C2=O)CC1 1857317196 WLWLAZZCXKBMHK-GOSISDBHSA-N 430.530 0.707 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628093 CXJUGUJMAFCTFY-FQEVSTJZSA-N 436.318 0.811 30 10 ICEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 508498293 RCSVBOVIFDDLGA-HNNXBMFYSA-N 433.538 0.882 30 10 ICEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546911613 ZISYOARAHMJQTE-UHFFFAOYSA-N 428.474 0.149 30 10 ICEE N#Cc1cncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 580803443 QCEGAVGEDQLSRK-UHFFFAOYSA-N 428.517 0.514 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603798569 MUNZNTLBPNASJU-INIZCTEOSA-N 440.481 0.779 30 10 ICEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 742407543 RDHAJZIRBBSYAV-MRXNPFEDSA-N 443.533 0.913 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)CC1 1152967897 UYNIUOPVXUMPGZ-UHFFFAOYSA-N 446.489 0.373 30 10 ICEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179651170 JVACMJUOTVTQMC-VBNZEHGJSA-N 433.408 0.015 30 10 ICEE CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1295219018 QKQYVSRZVINQIM-LTRYHMRKSA-N 434.522 0.695 30 10 ICEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301139748 VAVKBZVCIFEVRH-CVEARBPZSA-N 434.541 0.751 30 10 ICEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CCN1S(C)(=O)=O 1302879723 PVDHCCZGRRBORB-INIZCTEOSA-N 448.549 0.686 30 10 ICEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1303011082 BVWSDLKJKMFGLR-HXUWFJFHSA-N 430.534 0.944 30 10 ICEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)CC1 1460875606 AKUIJUYVSMHQDK-PMACEKPBSA-N 443.523 0.498 30 10 ICEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1469763442 ZMZHSKMEESMFBK-RIFZZMRRSA-N 427.486 0.633 30 10 ICEE CN(C)CCCOc1cnccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1478748936 RCVUXAGRYBNGFO-UHFFFAOYSA-N 427.465 0.313 30 10 ICEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507836264 CVFXAUVQJXYWAL-QFIPXVFZSA-N 448.568 0.487 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1508072896 TXRKOBYIIQVZDV-UHFFFAOYSA-N 430.513 0.337 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509737760 TWBNKHQSMUGMND-STGLLQLASA-N 431.497 0.269 30 10 ICEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1545920844 AZEUZOFDTOCZCU-HTAPYJJXSA-N 442.568 0.851 30 10 ICEE O=C1C=COC2(CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)C1 1560185901 YZYBBNVIEPVYNT-UHFFFAOYSA-N 449.529 0.984 30 10 ICEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1594813327 QTDJLORCUWUBHJ-MRXNPFEDSA-N 425.555 0.878 30 10 ICEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1620357391 GMKMEMJDYUVAIM-CYBMUJFWSA-N 448.471 0.989 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCCC2)nnc1N1CCS(=O)(=O)CC1 1620384953 JCBYISHWVACVKJ-VLGSPTGOSA-N 434.522 0.697 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)ccc1F 1626230713 SWNRQRZWFIJVJS-UHFFFAOYSA-N 448.542 0.291 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1 1645842326 YRXITFJCLAXHOY-FQEVSTJZSA-N 437.518 0.241 30 10 ICEE C#CCN(CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(=O)OC(C)(C)C 1648459468 YUPFWLAFFVEHFX-CHWWFWEZSA-N 442.534 0.872 30 10 ICEE CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2CC1 1665896061 KYNCXRCLNNQWBX-PKOBYXMFSA-N 437.543 0.193 30 10 ICEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1687205588 BJWWNNILGSROEO-CQSZACIVSA-N 429.520 0.589 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1690061066 QGKQFGQHFQMQAT-RURFIKTLSA-N 428.493 0.916 30 10 ICEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690676679 AOMOGXJGUAHKAT-DYESRHJHSA-N 434.541 0.537 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1691003614 JMCLWGOLYMFGPW-JJXSEGSLSA-N 426.543 0.632 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1722714403 MQCLQYMPWBEPTR-ZACQAIPSSA-N 432.525 0.505 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740876185 FCZNXEHUKXUJIB-GJZGRUSLSA-N 440.526 0.218 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965209 MUOATCVPHWUMML-HRAATJIYSA-N 447.540 0.177 30 10 ICEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1747446260 FBYCATLPPRBVPZ-AWEZNQCLSA-N 425.540 0.302 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)CC1 1749016005 WFEYMGRLVVDVLX-UHFFFAOYSA-N 442.545 0.760 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749140814 STRNTFHKVPLCEG-MJGOQNOKSA-N 448.568 0.969 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1749725514 RSJOZUXFSNMZSM-RHSMWYFYSA-N 449.599 0.494 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1760206095 QWFJRALVBFHTHA-ROUUACIJSA-N 442.545 0.654 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760243917 UJSCUIKLFLOKMX-IBGZPJMESA-N 432.569 0.957 30 10 ICEE CCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764898777 HNZOGCANBAVVLB-VHEBQXMUSA-N 439.476 0.922 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654753 CJZGVCALXXVKPI-CYBMUJFWSA-N 438.334 0.677 30 10 ICEE Cc1c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823478 VHPDCDCTYGFOFR-UHFFFAOYSA-N 430.236 0.778 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc2Cl)OC1(C)C 2284408876 BWHSHPXUSJHSLR-VIFPVBQESA-N 425.721 0.815 30 10 ICEE CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N 4556708 BFUKWVVFVGUARP-BBWFWOEESA-N 440.589 0.405 30 10 ICEE biogenic C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447417809 NSNCAKQXYAQKHO-UHFFFAOYSA-N 429.448 0.950 30 10 ICEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 514475059 JDVPUZMEYAHAJR-QGZVFWFLSA-N 436.493 0.896 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c(C(F)(F)F)c1 548581792 OUGIDKOSSYDZHW-SNVBAGLBSA-N 426.394 0.839 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)CC1 577315992 BBSPJEVXCSQPPS-UHFFFAOYSA-N 437.566 0.503 30 10 ICEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603797133 AOVVWHZUOJXJDT-MRXNPFEDSA-N 440.481 0.802 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2F)c1=O 729673377 MJJYRGRHMBOKFI-UHFFFAOYSA-N 434.514 0.966 30 10 ICEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CCc1c(C)nn(CCC#N)c1C 735773842 CGDSBLMWEODDKJ-INIZCTEOSA-N 425.511 0.735 30 10 ICEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[C@H]1CCN(S(C)(=O)=O)C1 801214507 JFDOGIQDWSTURP-BTYIYWSLSA-N 447.513 0.976 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1149050939 HYBOKSYOYTXQEG-KFKAGJAMSA-N 432.546 0.985 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)CC#N)CC1 1182931004 LIVOYJSCZORXPE-LBPRGKRZSA-N 432.424 0.957 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1286409357 KTUGSWGHKXLXPC-OAHLLOKOSA-N 431.543 0.745 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1286522887 PKPQNSMCBMCDAT-QFBILLFUSA-N 437.566 0.908 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286785460 FYSJCRRDAFHGAV-JKSUJKDBSA-N 428.497 0.326 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1300494985 AXWUKKDIIXVGDH-MSOLQXFVSA-N 439.582 0.725 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[S@](=O)CC)CC1 1300729264 SPCTYCJOADKNKT-SSEXGKCCSA-N 434.566 0.135 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1301967735 FZJVCOJTLDVZGZ-UONOGXRCSA-N 429.568 0.601 30 10 ICEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359137610 UUVLOJUSCMLTJV-QGZVFWFLSA-N 434.541 0.896 30 10 ICEE CN1C(=O)[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2C1=O 1471202243 XBYJVXOVJGPXIV-GASCZTMLSA-N 432.502 0.359 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1 1478444932 PJCLROFLRQOCMG-KRWDZBQOSA-N 425.555 0.105 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507634851 NSUITCDFIFDSJJ-FXAWDEMLSA-N 447.586 0.759 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CN(C)C)CC1 1507722414 WHEYDCFFMQWBBL-MRXNPFEDSA-N 425.603 0.231 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1508409030 AHKBTPAXISAMSQ-CABCVRRESA-N 427.575 0.595 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2ccnn2)CC1 1539431712 XAKORDAOCYDVNA-NRFANRHFSA-N 428.541 0.756 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1593747142 RCYZVZHHHUWNQJ-YESZJQIVSA-N 441.554 0.571 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N2CCOCC2)C1 1595665603 YAXSPZKGXMBQRT-QGZVFWFLSA-N 434.541 0.837 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595812516 XDAAFVWXLJJDQM-FUHWJXTLSA-N 444.561 0.922 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN(Cc2ccncc2)CCO1 1596066004 QZAMQUGZNBOQLC-INIZCTEOSA-N 429.502 0.137 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)CC1 1627325941 WTKPAGOZTZWDLU-UHFFFAOYSA-N 441.535 0.172 30 10 ICEE CCOC(=O)CON=C(C(=O)NCc1cc(F)ccc1CS(C)(=O)=O)c1cc[nH]n1 1629307553 CKGJXWZAAOUNRC-UHFFFAOYSA-N 440.453 0.694 30 10 ICEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1CS(N)(=O)=O 1648473832 RVKIUFACKJWASW-HHXXYDBFSA-N 437.541 0.391 30 10 ICEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(=O)OC)c(Br)c2)CC1 1653016571 CAWMOLPQOLGLSB-UHFFFAOYSA-N 430.324 0.821 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1684615510 VRSKVWXVNHDINL-UHFFFAOYSA-N 428.518 0.936 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690124180 HAFNVBZEUZZNEL-RBUKOAKNSA-N 430.553 0.770 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1690206631 WFYBXSYIMJXUKD-ATZDWAIDSA-N 425.555 0.764 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1690484774 DBYSUROFIZVRIT-HNNXBMFYSA-N 442.542 0.466 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1698172836 YCODELWRMBQLQP-BZUAXINKSA-N 427.527 0.698 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705934749 WCNDLOYAMJAWNV-NEPJUHHUSA-N 437.444 0.598 30 10 ICEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722307510 XUSGUSDRCJWQMG-GOSISDBHSA-N 429.569 0.963 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1722702922 UCFMRSQHUXCZKF-CYBMUJFWSA-N 431.522 0.287 30 10 ICEE CC(C)(C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722909647 MDCOLAGFIGQTOE-ZCXUNETKSA-N 427.509 0.913 30 10 ICEE CCS(=O)(=O)NCCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1729228753 UTWBSKWECBELDS-LJQANCHMSA-N 440.570 0.998 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1740581490 YZZLPAAYDDIUKJ-OAHLLOKOSA-N 437.570 0.686 30 10 ICEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740592661 DMEDHOXZVCCXLJ-UHFFFAOYSA-N 435.532 0.948 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)CC 1740735858 ICESVJLNGMRYGF-TXPKVOOTSA-N 425.555 0.934 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1747433459 RYBHMUZQQSBKMQ-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749303036 DFZAYVUZFZMBJQ-JKSUJKDBSA-N 443.595 0.618 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1749736697 NKCSJYVUPHHLLV-UHFFFAOYSA-N 448.549 0.160 30 10 ICEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760136993 DKPLWSFUOCVKQL-HXUWFJFHSA-N 444.580 0.956 30 10 ICEE C#CCN(c1nnc(CC)n1CCn1cc([C@@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1760187561 WVZPNCNHKUBRQK-AEFFLSMTSA-N 432.550 0.868 30 10 ICEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760445355 HGVWCKFIOBDHSM-HNNXBMFYSA-N 428.559 0.479 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760522782 YRAXHVCQKXXZFH-RHSMWYFYSA-N 447.517 0.716 30 10 ICEE COCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1769703186 VURYMWLRELEFBW-QAPCUYQASA-N 428.534 0.590 30 10 ICEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC(=O)NCCC#N 1882498091 RRWHLWLCVGXPBG-HNNXBMFYSA-N 425.463 0.589 30 10 ICEE CC(C)(C#CC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2298015686 HZVODYCENAJBJZ-OFQRWUPVSA-N 441.525 0.750 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 604188549 ADEPLAAWPWIBHR-UHFFFAOYSA-N 442.564 0.485 30 10 ICEE C#CCN(CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 731213880 YFXVTNMIVLCAAH-HXUWFJFHSA-N 433.574 0.852 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733312906 LTWYHOWUUXIOKU-HNNXBMFYSA-N 446.572 0.282 30 10 ICEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)nn1 1130119774 PDKYBNFXARIYSD-UHFFFAOYSA-N 447.517 0.968 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC 1286299908 ZUTQHXHPAFOSFG-GJZGRUSLSA-N 431.584 0.310 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1286410806 WXDWHFIHFPRCJN-MSOLQXFVSA-N 447.561 0.501 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1286467987 XYOYHPUCBAUIDN-ROUUACIJSA-N 439.582 0.235 30 10 ICEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)NC)CC1 1286655649 OKRDDSRQBHVEEX-UHFFFAOYSA-N 443.537 0.872 30 10 ICEE CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1288026207 DJSGKVOPAWFXHT-QGZVFWFLSA-N 441.492 0.816 30 10 ICEE COC(=O)C1(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCS(=O)(=O)CC1 1296961328 SFQZNORNTLGQOO-UHFFFAOYSA-N 442.534 0.874 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)c2cn[nH]c2)CC1 1298748704 FXYPGLIVQAQIGJ-UHFFFAOYSA-N 444.517 0.649 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)CC1 1300699920 JRGGIUSBIYSISA-IBGZPJMESA-N 434.610 0.811 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300983700 NCDCXYXPPXYSGU-MRXNPFEDSA-N 428.497 0.744 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1301297269 OJWRINGCOQIOHY-PGGUUEOZSA-N 431.584 0.534 30 10 ICEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1C 1316138247 CDZYXIOLKXADHI-KRWDZBQOSA-N 441.536 0.974 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359063236 LIZJVRUVAIQFIU-UXHICEINSA-N 444.517 0.467 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1359291674 AASJXXMMAJZPSO-KBPBESRZSA-N 430.600 0.912 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)c1ccccc1 1360247741 FQIBZSHYNAGWNB-HNNXBMFYSA-N 432.506 0.619 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)CC1 1443351773 BXXWDHZOEDEWSB-FQEVSTJZSA-N 444.532 0.602 30 10 ICEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)OCC 1462153964 CPCAEPURUQUCNJ-CQSZACIVSA-N 433.914 0.850 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)C1=O 1463499261 BPGOWYATFWIRNA-UHFFFAOYSA-N 433.364 0.573 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1493168819 HXNZTKLICIQHJG-MRXNPFEDSA-N 437.504 0.733 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1507535412 YEPDAPZBCXTOGF-ZDUSSCGKSA-N 429.506 0.199 30 10 ICEE C#CCN(c1nnc(C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507625399 IMQXALDAOZUCJA-ZWKOTPCHSA-N 436.582 0.156 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1508078571 DMMBNHSAMFJMBM-UHFFFAOYSA-N 433.490 0.253 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1508131468 MRSWOBCFSFZPIL-CQSZACIVSA-N 447.521 0.193 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)O)c1 1539038805 USSMTCOSTNZLSZ-AWEZNQCLSA-N 448.549 0.715 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1539384685 LWUFVQGTTNPWHT-CQSZACIVSA-N 446.512 0.844 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)n(C)c2=O)CC1 1539428975 YVKYIYZLXSWTOO-UHFFFAOYSA-N 446.515 0.736 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CC1 1564650960 SIPPELYBOXNLKV-LJQANCHMSA-N 443.529 0.384 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2CCCO)CC1 1588968024 FKERDLSTINNJIT-WOJBJXKFSA-N 444.580 0.942 30 10 ICEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1589053283 MIAUGLVRZUHHDZ-AWEZNQCLSA-N 447.590 0.916 30 10 ICEE CC(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1608141562 LQUKHFYGGJOQDD-ZJYNUGOYSA-N 442.524 0.286 30 10 ICEE CS(=O)(=O)c1ccc(OCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1617486581 GTHKAXHRFZVECX-KSSFIOAISA-N 426.516 0.646 30 10 ICEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1627713564 IPBICQHLDDUXQM-CVEARBPZSA-N 442.335 0.477 30 10 ICEE COC(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](C(=O)OC)C1 1632478669 PSZVZILLZFEDNZ-NHYWBVRUSA-N 426.422 0.690 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)CC1 1632960515 INAHQGKYKBLGBB-UHFFFAOYSA-N 431.518 0.278 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689908083 WCAVQZVDCNTRCB-UYAOXDASSA-N 441.580 0.916 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689978144 NQVBOJBEZXRAEW-AWEZNQCLSA-N 449.537 0.231 30 10 ICEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1689986194 KOOWEAXJXWAOPN-AWEZNQCLSA-N 429.481 0.888 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(C)(=O)=O)CC1 1690146237 IUMQWGFKGXXXGN-MRXNPFEDSA-N 438.554 0.035 30 10 ICEE C#CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186447 QHUNBKYNEFCNIX-UZLBHIALSA-N 437.566 0.636 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1705564204 MNFTYCXVQMKLJB-INIZCTEOSA-N 426.506 0.636 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)N2CCCC2)CC1 1705639792 WOEDVURSPHMGPU-OALUTQOASA-N 434.610 0.810 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705905542 YSQOSVVIRCBZPI-UHFFFAOYSA-N 443.527 0.520 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1722426094 YFVNMZWATGFKHV-UHFFFAOYSA-N 433.534 0.290 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 1722640660 QMMWHCPNHVJTLE-HNNXBMFYSA-N 447.583 0.058 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCOC)C1 1740982391 UBAMMNVWYQETDT-FCEWJHQRSA-N 428.555 0.749 30 10 ICEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1747704311 FKPOJKMHAWNCOJ-MRXNPFEDSA-N 431.522 0.677 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749671181 ZMXZOHCWWUCPPC-KRWDZBQOSA-N 431.541 0.812 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760552500 QBNAXDKUTZQBMY-KRWDZBQOSA-N 448.549 0.702 30 10 ICEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1767173709 GLMTYEYJZCYJKO-UHFFFAOYSA-N 447.565 0.964 30 10 ICEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1767806222 LKWAXIJMVBQAFQ-GJZGRUSLSA-N 449.512 0.451 30 10 ICEE CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2C1 1849715969 SZNOPMGKKFWOJM-UHFFFAOYSA-N 426.502 0.762 30 10 ICEE COC1CCN(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)CC1 1854394673 COQLOGFINJGRFP-UHFFFAOYSA-N 426.539 0.324 30 10 ICEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCc4ccccc4C3)C(=O)C2)C1 1856848930 AEXAYYMBRKMFHK-OALUTQOASA-N 430.530 0.390 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(F)cc3Cl)C(=O)C2)C1 1856850074 KIOODTGEGZXAGP-CYBMUJFWSA-N 428.873 0.691 30 10 ICEE N#Cc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C(=O)C2)cc1 1857389513 YSCSUMRQNURXBP-UHFFFAOYSA-N 430.530 0.933 30 10 ICEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CSC1=O 1869933988 UJIBWSXJGAIZKY-XHDPSFHLSA-N 438.531 0.951 30 10 ICEE C=CCO[C@H]1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1N 2060432111 PIEYLLGBVOYACO-YGARTUKASA-N 427.306 0.248 30 10 ICEE C#CCCN1CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286016233 MTVUEZAXUNUFQO-ROUUACIJSA-N 437.518 0.471 30 10 ICEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccnc(N(C)C)n4)CC3)CC2)o1 532732677 UTXWZCWXGCDPEF-UHFFFAOYSA-N 439.524 0.182 30 10 ICEE CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)CC1 585481724 YOCDETYETAMRNE-UHFFFAOYSA-N 427.534 0.611 30 10 ICEE COc1cc(NCCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ncn1 1142838658 WXJOMMWGZYXQKS-ZDUSSCGKSA-N 432.506 0.921 30 10 ICEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC#CCN(C)C)c2)CC1 1151237577 VLCHWHQAFPQFTI-UHFFFAOYSA-N 426.970 0.961 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)ccc2c1=O 1184460859 QNFVEUBHLLCBFE-OKILXGFUSA-N 431.470 0.905 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286366760 CUOJZGZADBPAFK-FQEVSTJZSA-N 434.518 0.971 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1286397611 NZDMOQFVVUOYIS-INIZCTEOSA-N 438.517 0.590 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1286472438 XXHWGRAYWRXRGZ-FQEVSTJZSA-N 443.596 0.506 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286769186 WMGUGNBTNDEHFZ-KBPBESRZSA-N 436.542 0.472 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286820790 RTWVRHVZTZQNKY-HZPDHXFCSA-N 425.555 0.865 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1297519785 BBBZKZCNZOCKTH-UXHICEINSA-N 442.516 0.306 30 10 ICEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)CC1 1300698675 XWYGAHLGXPLNSV-UHFFFAOYSA-N 432.550 0.877 30 10 ICEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301239363 OECWMUNRXUHIBK-OAHLLOKOSA-N 429.481 0.469 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1301509369 GPMAWUYSOQUUKY-UHFFFAOYSA-N 446.537 0.033 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1304910444 IMSNAKITORSERD-QRQCRPRQSA-N 437.504 0.874 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C[C@H]1CCCO1 1321237099 WRVXPWPZZZLKTC-GOSISDBHSA-N 449.536 0.738 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358962823 XSZLXPYHWYMLKM-RDBSUJKOSA-N 443.476 0.280 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1Cc1nnnn1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358963365 GQRXYTAIVGOGTH-MRXNPFEDSA-N 432.554 0.548 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359035760 DCATYRRHKRHBBR-GOSISDBHSA-N 444.561 0.516 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1359127118 IYQACJWILDFUBN-HNNXBMFYSA-N 444.558 0.760 30 10 ICEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1507914417 KMVKCMNMZBYYEO-GOEBONIOSA-N 442.586 0.832 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1517620556 IWWGGJGLMKTSRL-SJORKVTESA-N 446.533 0.857 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539211684 NFGDETVBTPLDOR-MRXNPFEDSA-N 433.534 0.452 30 10 ICEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539225400 NMTLXRINPRJQBI-NQIIRXRSSA-N 445.545 0.696 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCN(C)C2)CC1 1539470751 XZPUEMWWGCDGTM-JOCHJYFZSA-N 426.521 0.879 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539481828 ONLCSDPIKRVDQX-IAGOWNOFSA-N 428.537 0.663 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1540901107 SRHJUGMRHVVABI-UHFFFAOYSA-N 447.565 0.199 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1558102393 IWHNRVHXDWUITR-HNNXBMFYSA-N 438.502 0.986 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1594813146 PGKKJPNRZZUARO-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cscn2)CC1 1595529605 AOFSDWSAYYYHLA-UHFFFAOYSA-N 425.522 0.816 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602717 PFNNKXNRKDRMIU-GSHUGGBRSA-N 446.552 0.678 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1595805837 VPKRCCQXUPXVLD-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CSC1 1620321202 SATHKJXWIQOVDD-UHFFFAOYSA-N 438.531 0.478 30 10 ICEE CN1CCn2ncc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)c2S1(=O)=O 1623330209 QGDGDGBQPATYCM-UHFFFAOYSA-N 430.490 0.904 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 1626394843 UJNXAPBXEKFQJL-UHFFFAOYSA-N 427.548 0.791 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1634555093 PVHVTFNLRNOWGU-GOSISDBHSA-N 448.589 0.849 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C2)c(=O)nc1O 1653763050 NOIVFGZLSVDTDU-CQSZACIVSA-N 445.229 0.748 30 10 ICEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C3CC3)[C@@H](C)C#N)CC2)c1 1654996536 FTYROQRQZOAGSN-HNNXBMFYSA-N 436.534 0.913 30 10 ICEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCOC2(CCS(=O)(=O)CC2)C1 1656535895 LTANROHVUDYPJW-UHFFFAOYSA-N 429.502 0.962 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Br)ccc2F)CC1 1682811130 ACVJNRUXBAAHDD-UHFFFAOYSA-N 433.303 0.883 30 10 ICEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)c(F)c1 1684633313 QBERWSSYJBQSJR-NRFANRHFSA-N 432.452 0.878 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCS(C)(=O)=O)c1 1689872427 YKXKSFHPGSFNCD-INIZCTEOSA-N 431.518 0.883 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690674013 LVTNFNINQAFSJG-UHFFFAOYSA-N 429.569 0.667 30 10 ICEE CN(C)C(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1696589394 BWRLEDDFAPSLPC-SFHVURJKSA-N 434.501 0.768 30 10 ICEE CC(C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1706632585 CDXAWMILADYHTN-MRXNPFEDSA-N 446.533 0.992 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722698675 KCPHTSAWXUKFMK-GOSISDBHSA-N 442.568 0.882 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1740685269 DKUTWSBWXOHSSU-ROUUACIJSA-N 437.566 0.525 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740983013 ZONRVOJPTMAUIB-YESZJQIVSA-N 425.555 0.845 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740993276 VXIKVGGRSBRBQE-INIZCTEOSA-N 431.522 0.079 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748821045 LOQKECRFCBTKOM-SFHVURJKSA-N 435.594 0.968 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748823969 GIYMZPOQYUATIA-HUUCEWRRSA-N 442.563 0.334 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)CC1 1749003944 AXZKVBCUMOQUKM-ZDUSSCGKSA-N 446.524 0.899 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1749229302 IZSCTRUCKNBKNL-KRWDZBQOSA-N 449.581 0.833 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749676743 BRZUWCDGRAUTHL-QGZVFWFLSA-N 447.561 0.997 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760186819 ATELOJSPMNFNCD-ZIAGYGMSSA-N 438.460 0.786 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1760205465 BTPFCTJSATUQJM-KRWDZBQOSA-N 446.554 0.727 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760272394 ITZDSQCFMMZKKO-GOSISDBHSA-N 425.580 0.798 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760528243 WPRCXIWFDQZAHB-OAHLLOKOSA-N 443.483 0.854 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760554200 VNQNQWJRBMYWKV-AWEZNQCLSA-N 440.551 0.349 30 10 ICEE CCOCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767946458 HKUPEFVHZZTEBV-FMQUCBEESA-N 445.524 0.646 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1769550895 DOQHAJKLAGJJJA-SIKLNZKXSA-N 442.520 0.946 30 10 ICEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)CC2)c1 1770740460 HELUEPINBWNWCQ-KRWDZBQOSA-N 440.508 0.221 30 10 ICEE C=CCN(C(=O)c1cn([C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)[C@@H]1CCN(C)C1=O 1849736862 WTKCKUKFQMEPCK-GXTWGEPZSA-N 428.415 0.863 30 10 ICEE CC1(C)C(=O)N(C(=O)CN2CCCS2(=O)=O)CCN1CCOc1ccc(C#N)cc1 1854446172 QIRTXBORHPEBKP-UHFFFAOYSA-N 434.518 0.422 30 10 ICEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865729212 FBPFAJXZKCILKL-INIZCTEOSA-N 438.484 0.966 30 10 ICEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCN(C)C)nc1C 1872706894 TZLXGMXRJSOZHD-UHFFFAOYSA-N 438.466 0.486 30 10 ICEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255609807 WMLBSOVQKVOFBD-GFCCVEGCSA-N 439.322 0.072 30 10 ICEE Cn1ncc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829197 KSRPQJACIHBMEE-KGLIPLIRSA-N 436.318 0.741 30 10 ICEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 27559923 YDRWJEVNAXVBPF-GOSISDBHSA-N 440.548 0.731 30 10 ICEE C#CCN(CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1)[C@H]1CCS(=O)(=O)C1 250671761 MSWVKVJDVHNSDB-LPHOPBHVSA-N 431.514 0.980 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)c1 537395203 VPFCFFHMSKRIIZ-UHFFFAOYSA-N 440.525 0.760 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 670232869 ZWAORJRXPWPAIW-HZPDHXFCSA-N 426.543 0.292 30 10 ICEE O=C(CN1CCC(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccccc1 732440927 IDPFFOXCSNSWSQ-MRCUWXFGSA-N 440.504 0.915 30 10 ICEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC(=O)N1CCN(c2ccccc2)CC1 732460184 ASVORCHQRDZZOM-VXPUYCOJSA-N 426.477 0.161 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(CC4CC4)c3)CC2)cc1 777859107 CWZLLPCQSQGXKN-UHFFFAOYSA-N 435.531 0.860 30 10 ICEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 778731830 ABQKFVIJEOFUPF-ISLYRVAYSA-N 436.415 0.888 30 10 ICEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccnc(C#N)c3)CC2)cc1 795966313 JDCFIZHBGNNGMG-UHFFFAOYSA-N 444.469 0.652 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1286390090 WSGNLRGOYANDEE-INIZCTEOSA-N 444.521 0.074 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1286484472 OTSNIQGSELWWAW-UHFFFAOYSA-N 448.549 0.170 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286780095 BLYGNROSUFVQAY-OAHLLOKOSA-N 426.525 0.914 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300499426 RPZIUUNVWVZFBR-GOSISDBHSA-N 444.561 0.759 30 10 ICEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 1301618381 QWJRRVQEFOFKKB-UHFFFAOYSA-N 428.584 0.401 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(CN2CCCC2=O)nnc1N1CCCOCC1 1303095868 KINCPZNSNWQZIO-VHEBQXMUSA-N 429.481 0.154 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305514673 PGAOGTTVTULKKU-MEUCICPISA-N 445.524 0.613 30 10 ICEE CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1309038597 AIRSSILUAMADDU-QGZVFWFLSA-N 443.547 0.926 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)CC1 1310059654 KFVAHJNMTWPJCA-UHFFFAOYSA-N 434.566 0.364 30 10 ICEE NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)C1 1318923586 FRKYJNTVCKZTFH-GLEDVZQVSA-N 439.516 0.917 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1358948359 ATKUUKDTTSVXDT-LBPRGKRZSA-N 425.540 0.143 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C1 1359313814 RQAQAXFGLAUXMX-HZPDHXFCSA-N 444.627 0.718 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359332759 GTCFJNQVYUHYPC-IRXDYDNUSA-N 425.555 0.735 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1(O)CCOCC1 1360692819 ABIPPRSDVDTXFV-YJBOKZPZSA-N 440.570 0.950 30 10 ICEE C=CCOCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1440778394 BUPRYVXKHZUVSQ-UHFFFAOYSA-N 438.550 0.734 30 10 ICEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1464462338 KRWYYMSXHDQECL-INIZCTEOSA-N 432.587 0.929 30 10 ICEE COC(=O)C1(C2(O)CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1472348905 QZLWYECNKHEKKS-UHFFFAOYSA-N 435.502 0.533 30 10 ICEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505056452 XPGPCNXPJOIIFC-QGZVFWFLSA-N 440.508 0.485 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)CC1 1507724973 ZDYUJADMEXYODF-UHFFFAOYSA-N 428.562 0.844 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O 1507791171 IQSCIIXWOOQVAT-JKSUJKDBSA-N 425.555 0.976 30 10 ICEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507953845 IVGWHSYGHKTAHU-CQSZACIVSA-N 436.538 0.667 30 10 ICEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508092563 RHYCLZMTPZNKMQ-KRWDZBQOSA-N 431.541 0.936 30 10 ICEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1509723051 AKYGGZHCFKAUNJ-UHFFFAOYSA-N 446.533 0.878 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509737758 TWBNKHQSMUGMND-HMWBCQRISA-N 431.497 0.269 30 10 ICEE CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1517053920 UEXHUCADBXJPFB-DOXHGZAWSA-N 434.522 0.695 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1539369950 QIJVANVKHPDGTB-KRWDZBQOSA-N 440.566 0.852 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCOCC2)CC1 1539434567 NMUWOSBZGQZIRF-UHFFFAOYSA-N 438.532 0.958 30 10 ICEE C#CC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1558691527 LVFNQXMUWZHLPZ-UHFFFAOYSA-N 433.530 0.123 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1588233801 RCQCNRHZMWUEKV-MRXNPFEDSA-N 448.574 0.887 30 10 ICEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1589070037 QCNIAYRKMHDWCY-WMLDXEAASA-N 442.542 0.419 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1 1667323174 ZXQIEDDUORGYJJ-UHFFFAOYSA-N 445.505 0.599 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1689945665 HKIRUAFQKSMHED-YJBOKZPZSA-N 442.611 0.166 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689988020 HNWKJJILFMLSSJ-HOTGVXAUSA-N 437.566 0.919 30 10 ICEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690515796 UQEIHMAJRFSZPI-CHWSQXEVSA-N 440.492 0.774 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690678400 VESZJROIIFJBKU-UWJYYQICSA-N 434.541 0.142 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1705568794 VKEBKQMJKDNNGK-IAGOWNOFSA-N 438.550 0.985 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CCN(C)CC2)CC1 1705632560 UHNZEJQPBTWMQS-UHFFFAOYSA-N 433.626 0.999 30 10 ICEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367336 MTOORDLRNYXSBO-KRWDZBQOSA-N 448.545 0.895 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722703173 WRNSDPISCDFJKM-HXUWFJFHSA-N 443.533 0.288 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)COCCO1 1723927591 UGUIUPZDJFXRFC-KDOFPFPSSA-N 426.543 0.824 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1740549658 NNMNXTYHETWDPY-ZUHIPDPLSA-N 430.553 0.957 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)CC1 1740710296 VYYXRBUYMIBBFA-GOSISDBHSA-N 444.536 0.344 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740958726 SUPPQTRYNZXMBR-HUUCEWRRSA-N 431.541 0.663 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1741983223 IEJYLOMBMDXSQQ-WBMJQRKESA-N 448.471 0.989 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1749682238 PUBWMIPLPRZMTQ-NRFANRHFSA-N 442.524 0.349 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(OC)CCOC2)CC1 1760252839 XFEIGAOTDGGLOG-NRFANRHFSA-N 425.493 0.486 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CC1 1760256852 VSXWKPORNONUMJ-UHFFFAOYSA-N 443.939 0.998 30 10 ICEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760550846 LANBOUQOHMKIQJ-UHFFFAOYSA-N 435.554 0.567 30 10 ICEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1O 1770222102 AKHKZPKRSBHKCC-CABCVRRESA-N 433.490 0.671 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1772566647 QIDYECOKBFCAPG-MSOLQXFVSA-N 444.584 0.136 30 10 ICEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255620249 AEWZXQLNOZBBCF-UHFFFAOYSA-N 427.314 0.845 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699657 YTEZPPDZKZQMII-ZIAGYGMSSA-N 434.302 0.798 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881601 IYKJNQRHWVXJLR-ZIAGYGMSSA-N 448.329 0.876 30 10 ICEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 111046130 LSRQWDWHHXSBGP-OAHLLOKOSA-N 443.547 0.006 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1 465967234 PSXAGGVYVVSZBW-FQEVSTJZSA-N 428.581 0.827 30 10 ICEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 478740655 ABRLMQXAOQCLNT-WBVHZDCISA-N 425.510 0.983 30 10 ICEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 492759806 XORWILAFQCSYNQ-AWEZNQCLSA-N 441.941 0.733 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC=C)CC1 508867108 OIQVERORSKNADU-UHFFFAOYSA-N 429.550 0.880 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 525633117 KKAFGUBYKVFICP-UHFFFAOYSA-N 431.518 0.729 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 555159035 RDFNSUNWYUCQGU-CQSZACIVSA-N 440.547 0.252 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 555249114 FJVPEPPAXPXNHT-QGZVFWFLSA-N 426.587 0.965 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC1 914604897 AZOZAPWLMCYMTN-UHFFFAOYSA-N 440.541 0.963 30 10 ICEE COC(=O)[C@@]1(OC)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1279832933 OGBMYFFMQYQPTQ-HXUWFJFHSA-N 435.502 0.749 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCOC)CC1 1286479502 MFQGKXRDAIAGIU-SFHVURJKSA-N 439.520 0.453 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301492492 JEAGWXLPJOXFLF-OAQYLSRUSA-N 426.477 0.938 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301515180 QJIJCDOWAVBHTL-INIZCTEOSA-N 425.493 0.682 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@H]1CCOC1 1303837668 ZFRWBZVQJNPXFS-DAYGRLMNSA-N 444.533 0.773 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)s1 1448228355 OQBYKQREMZRVLO-UHFFFAOYSA-N 445.563 0.853 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2/C=C/C)CC1 1455116589 ZFBMBGYZJNXQFL-WPLBAPSMSA-N 440.566 0.657 30 10 ICEE C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1463866744 NGRNNZWKKSYXME-GOSISDBHSA-N 443.909 0.831 30 10 ICEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1470193713 RRUBVBDXRZSODS-UHFFFAOYSA-N 430.552 0.562 30 10 ICEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1507611917 QDEVIHVSZWMEBU-CQSZACIVSA-N 426.502 0.696 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1507992783 IYOQIPHADPGKIQ-HNAYVOBHSA-N 438.554 0.244 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1508058703 DNPOCLNAEGZRGM-ZIAGYGMSSA-N 440.551 0.831 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1508374659 PBMNHQCAFVTOIE-KNQAVFIVSA-N 440.504 0.964 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1519317501 FAXFCGUPKREKGB-HGHGUNKESA-N 434.541 0.984 30 10 ICEE N#C[C@]12CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]1CS(=O)(=O)C2 1538766204 RRGOUGBMJPBSEP-PZSREKOKSA-N 439.287 0.927 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539804454 WAOSFUHSNVQCGV-SUMWQHHRSA-N 444.945 0.222 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1540905114 SOXUXBZKPMUIKA-UHFFFAOYSA-N 447.565 0.716 30 10 ICEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547731664 UOGPMLAIYBDRIV-SFHVURJKSA-N 425.541 0.882 30 10 ICEE O=C1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1556030352 DUWAMHLRVYRNGN-FMQUCBEESA-N 439.451 0.471 30 10 ICEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1CCCN(O)C1=O 1556782949 XXLRVWUQEOAUNS-MRXNPFEDSA-N 440.522 0.131 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565449497 SOLLNIOTGBVLOC-RDYUPDBUSA-N 442.534 0.872 30 10 ICEE N#Cc1c[nH]c2cc(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)ccc12 1565965298 DQRTVMAUTMDPDW-INIZCTEOSA-N 429.502 0.101 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C(=O)OCC)c(Br)s2)C1=O 1587095069 GUUNKKGXYUCNDD-UHFFFAOYSA-N 445.251 0.998 30 10 ICEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 1588262456 OHMQEXMPKKISIH-LJQANCHMSA-N 435.843 0.831 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1589216135 KPJKXMKARQEGSY-YLJYHZDGSA-N 447.565 0.808 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595576899 BEJSJLHLEDZYBE-INIZCTEOSA-N 444.517 0.654 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595784053 ASZBGTROPZGCIN-AWEZNQCLSA-N 427.552 0.887 30 10 ICEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1620154732 GQBPOGHQIFXTFI-KRWDZBQOSA-N 431.518 0.982 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1665797706 HCYBMKRMZQMJSP-MRXNPFEDSA-N 436.534 0.935 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1690660937 RCHZDJMWTJNKQN-SUMWQHHRSA-N 428.584 0.524 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1690734172 XPSFOFIIXDAVOX-WMLDXEAASA-N 431.584 0.803 30 10 ICEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CCN1C1CC1 1698491239 VHLYHDUVFKVNKT-QGZVFWFLSA-N 433.582 0.806 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1706887742 QOVDRZKNJOQLNG-YQFWSFKMSA-N 437.570 0.490 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1712648304 SMPWKUGOSHGAGV-HZMVEIRTSA-N 439.538 0.698 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722360491 URGFAZPQLAZNBC-MRXNPFEDSA-N 431.518 0.717 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1722433247 YCCICZKZXOQLSD-UHFFFAOYSA-N 443.533 0.591 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cnn(C)n2)CC1 1722440800 KHBDYZSGFDWINM-UHFFFAOYSA-N 441.540 0.143 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1722690385 JCAJNYRFYXMHTM-UHFFFAOYSA-N 426.481 0.190 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1722726622 DJOPRKNATDIXQH-UHFFFAOYSA-N 433.538 0.783 30 10 ICEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740885272 CFWOYIJUZOESBY-KRWDZBQOSA-N 446.552 0.692 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCOCC1 1740985388 GSTGXUAEQCHJFL-UHFFFAOYSA-N 425.555 0.978 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2)CC1 1748977156 DCQQGHSPNIENHU-GOSISDBHSA-N 437.614 0.520 30 10 ICEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1749664040 VRSSUPCRQVUMMA-UHFFFAOYSA-N 445.549 0.724 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1749670045 QQILQTDTSFUSBU-KRWDZBQOSA-N 444.561 0.809 30 10 ICEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1760237689 RCYJGQDPVPEZHM-UHFFFAOYSA-N 430.534 0.978 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760542503 HXYMNRNQHDATNV-HRCADAONSA-N 444.579 0.396 30 10 ICEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1760695410 GWZXRBACMFGKSN-MCIONIFRSA-N 448.496 0.631 30 10 ICEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1767495845 IIINAIYRYQQQRK-KRWDZBQOSA-N 447.565 0.521 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1769194431 BMYHCYRPTPOACM-MRXNPFEDSA-N 431.522 0.328 30 10 ICEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856838471 LLLNLNACPRQJSH-HOCLYGCPSA-N 438.481 0.191 30 10 ICEE COc1cc(C)c(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1C 1857492271 LSUGUCXZGPAPFV-INIZCTEOSA-N 434.518 0.660 30 10 ICEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)CC2)CC1 1889336130 BJIDEWTVJYHNGS-NRFANRHFSA-N 439.560 0.835 30 10 ICEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255530507 TZVDUURGALABIA-UHFFFAOYSA-N 440.302 0.557 30 10 ICEE C#CCO[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286016540 REDLMXKPFHSNKN-ROUUACIJSA-N 438.502 0.898 30 10 ICEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 11399922 YVHQZAPICPXLCP-HXUWFJFHSA-N 435.502 0.981 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 27559461 CDZLFUMVNPPOKP-INIZCTEOSA-N 437.566 0.184 30 10 ICEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2nccs2)n1N 59914548 HEQQTULQSNPAMJ-CNHKJKLMSA-N 436.527 0.431 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)CCCOC)CC3)cc2C1=O 432706867 JTRTVDRTFGCDAC-UHFFFAOYSA-N 435.502 0.593 30 10 ICEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506613982 KSPJHBZDBMQHJP-PGRDOPGGSA-N 429.569 0.896 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 732152588 DJWQBKNOLAUXJL-UFVMTTLYSA-N 446.529 0.871 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(C3CC3)c2=O)cn1 735069458 VTQLMDGZUACFIZ-UHFFFAOYSA-N 429.546 0.897 30 10 ICEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cn1 794580560 XIUUHEPTGCLZMJ-SJORKVTESA-N 440.525 0.885 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388963 DECJNFGTIAMSKQ-KRWDZBQOSA-N 445.545 0.817 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1286508206 GRLZXZWPWAVVPT-QAPCUYQASA-N 426.564 0.542 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1286783046 DXQOUYZKCCYQIE-UHFFFAOYSA-N 427.918 0.281 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N(C)C)C1 1286812240 KWDONYGGEZONJA-KRWDZBQOSA-N 437.570 0.812 30 10 ICEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300488579 FJXDLKPDGSVKGR-KRWDZBQOSA-N 426.502 0.580 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)CC)CC1 1300703830 UETBJIBPEJTPMH-UHFFFAOYSA-N 441.561 0.707 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1300991543 UMMQTFMAMAIMAE-MSOLQXFVSA-N 441.598 0.930 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301519544 PGIRYUUANPONQQ-OAQYLSRUSA-N 449.556 0.472 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359299496 GSTKVRUVNNMOLZ-KRWDZBQOSA-N 429.569 0.981 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359326943 NPYPONQAEGJXSC-HZPDHXFCSA-N 425.555 0.976 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)CC1 1455114394 CYOSOQYZCKTXDU-AWEZNQCLSA-N 449.558 0.569 30 10 ICEE C[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1457204594 XGQYCPDAMINKCT-GFCCVEGCSA-N 431.474 0.258 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1507633848 JSSKCYMMHXULOO-MSOLQXFVSA-N 445.520 0.913 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507716315 PVSJZEKFSCRKON-IIBYNOLFSA-N 425.493 0.221 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCNC(=O)C1 1508148859 KYAMWKAAANFXNG-UHFFFAOYSA-N 433.534 0.957 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1508149196 PYNOONYGBJSMRJ-KXBFYZLASA-N 441.554 0.246 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1510132285 LIZYGFGATCPHAJ-VDMFXUGISA-N 436.538 0.941 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1538965099 MOVGPJZICNCDJM-ZDUSSCGKSA-N 438.941 0.869 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1555810253 BGOURDKGKQNUBH-SFHVURJKSA-N 446.533 0.704 30 10 ICEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)CC1 1555990118 DUJOWWJXPVLTCT-OAHLLOKOSA-N 446.462 0.757 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 1588199064 HCIRFRIEEMHUTH-GFCCVEGCSA-N 447.344 0.724 30 10 ICEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1588260901 BMXXHGKHVBJPSQ-AYRXBEOTSA-N 426.395 0.556 30 10 ICEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1588628538 KYLMWBBUMSTYAF-UHFFFAOYSA-N 433.538 0.460 30 10 ICEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1638859975 GZNZGYWAYZVFDU-ZDUSSCGKSA-N 432.424 0.754 30 10 ICEE C[C@H](CC(=O)N[C@H]1CCN(c2cc(O)ncn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1653312254 GMZWBEMMGSRAAZ-OLZOCXBDSA-N 430.490 0.394 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 1666209712 BCYHPMSUNDFJJA-UHFFFAOYSA-N 433.534 0.720 30 10 ICEE CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1698276255 NRAQTAXTWCTZKQ-ZBFHGGJFSA-N 436.494 0.349 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1705573657 KZRVGGDJFHKEBJ-INIZCTEOSA-N 442.545 0.759 30 10 ICEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705734412 OJNWUCHKLNMLNE-UHFFFAOYSA-N 444.540 0.846 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705905099 JQWURGSHHVRTGG-PKOBYXMFSA-N 425.537 0.723 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722381069 HLBKTUZNEPOEHC-HKUYNNGSSA-N 433.516 0.970 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC(C)C)CC1 1722448820 YYGQEYVQNWOXGD-MRXNPFEDSA-N 429.525 0.110 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722691805 ABBXSUDQZRFHLD-QGZVFWFLSA-N 444.540 0.437 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1722726457 FPYZGDMNMQGVMA-MRXNPFEDSA-N 448.553 0.338 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@]2(O)CCSC2)cc1 1731182140 HPJJBGQTNJIDSM-MGPUTAFESA-N 428.518 0.908 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)N2CCOCC2)CC1 1740689611 BTUJWRSFFOWTDB-SFHVURJKSA-N 434.541 0.006 30 10 ICEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1748407293 CEUXVDQTCCIFQS-RWMBFGLXSA-N 437.444 0.876 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1748857519 BRQXIDIKXWJXSZ-KRWDZBQOSA-N 437.566 0.747 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1748860701 ZMXMKXAFYZHHEW-GHTZIAJQSA-N 442.497 0.413 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CC1 1760269555 LHSDMHNSKDZREM-CYBMUJFWSA-N 433.456 0.708 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1760324653 LYBCZRPQZKBKIV-UTKZUKDTSA-N 446.552 0.677 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1760555425 FRJJQZNHKMAXBR-KRWDZBQOSA-N 427.571 0.541 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NCC)CC1 1760559009 HMLFRPQVZPKWLC-OAHLLOKOSA-N 426.543 0.582 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1760566347 RJXMJDXTUXGHRJ-HNNXBMFYSA-N 442.611 0.951 30 10 ICEE CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1764537181 BLHDAPSPKYAVSB-CQSZACIVSA-N 425.559 0.935 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)CCN1C1CC1 1770748838 SETXMGHLQCLTRO-AEFFLSMTSA-N 436.582 0.909 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1771112751 WVASUFVHZXDKAY-KGLIPLIRSA-N 433.481 0.971 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1772566585 KFGAQWIMQXJVST-AWEZNQCLSA-N 433.513 0.589 30 10 ICEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3nnc4n3CCCC4)CC2)n1C 1853605534 GPRAQVBWAJXYMM-UHFFFAOYSA-N 428.541 0.633 30 10 ICEE C=C(CN(C)C(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2298462037 XRPXZTUKCWSBBY-ZNMIVQPWSA-N 426.319 0.974 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432945982 VRKQLNPTCCOFIG-UHFFFAOYSA-N 427.324 0.929 30 10 ICEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cn2)C[C@@H](C)O1 443318606 IMFQZJPFNJKZBA-NUWOQIAWSA-N 430.509 0.904 30 10 ICEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478753916 MIOQUCAIYVVIEK-DOTOQJQBSA-N 442.541 0.804 30 10 ICEE COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481039868 QBWPANLXBXZEPH-OAHLLOKOSA-N 426.514 0.686 30 10 ICEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542217034 BSNSWHYZOZZOOW-UHFFFAOYSA-N 441.538 0.539 30 10 ICEE C#CCN(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 729335923 XOCRTQROGLYPRO-DNVCBOLYSA-N 429.498 0.111 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 735069317 SMSCRWPLPBQGAW-QGZVFWFLSA-N 443.573 0.971 30 10 ICEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncc3ccccc23)c1=O 758056749 ARZHFMDYHIHHHJ-UHFFFAOYSA-N 430.489 0.453 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(c2cccnc2)C1=O 784737811 IYTZMVNTUWKRIW-MRXNPFEDSA-N 427.486 0.822 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1F 800668380 UDXRHSXHYYQMSD-UKRRQHHQSA-N 433.527 0.738 30 10 ICEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)o1 1084297480 IREDCVHMADECNJ-UHFFFAOYSA-N 448.513 0.410 30 10 ICEE Cc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cnn1CCC#N 1126098917 CLIYUPXAQNRCKP-UHFFFAOYSA-N 430.534 0.971 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccncc2)cc1 1169737723 YHJKMCNRYGDWCR-ROUUACIJSA-N 433.486 0.941 30 10 ICEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1176431259 BUOFUVVNLDGORR-JTSKRJEESA-N 444.557 0.586 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCN(C)C2)CC1 1286472271 FZXYBZFFHJVOES-IBGZPJMESA-N 448.369 0.858 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1286491475 SZFCOEGRIIDWDN-GAJHUEQPSA-N 438.532 0.770 30 10 ICEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286713399 ABNKBIXOPRJJTP-UHFFFAOYSA-N 437.570 0.814 30 10 ICEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1286950658 ILHPJIVMOPRXTO-UHFFFAOYSA-N 425.493 0.814 30 10 ICEE CCOCc1nnc(N2CCC[C@@H](NC(=O)CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297223172 NAVJUZXXKJMTRN-MVZUJROASA-N 445.524 0.836 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300495142 DKHOXGZVCXOOLK-GKWFENNMSA-N 442.607 0.956 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CC1 1359038490 YGWOLCQREDKFIN-FQEVSTJZSA-N 443.596 0.393 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CCC)C2)CC1 1359044766 OEMTYCRKRJLUTR-IEBWSBKVSA-N 441.580 0.927 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nnn(C)n2)CC1 1359047691 PRZAXIHDRUMFHW-UHFFFAOYSA-N 449.519 0.703 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(COC)COC)CC2)ccc1F 1451424676 TWBAXGNZQBJKSC-UHFFFAOYSA-N 429.514 0.709 30 10 ICEE C=C[C@@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1452735742 MHJUISHOJFLVKA-OAHLLOKOSA-N 425.507 0.931 30 10 ICEE C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1463866746 NGRNNZWKKSYXME-SFHVURJKSA-N 443.909 0.831 30 10 ICEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1470762197 FDWKKZHZMRWMTD-MSOLQXFVSA-N 444.517 0.592 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1508148219 GWOYXQGIJQICIF-UHFFFAOYSA-N 440.614 0.823 30 10 ICEE COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(C#N)c(Br)c1 1539348915 FYLCZNUVFGHUAV-ZDUSSCGKSA-N 431.264 0.498 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540897368 HQODISRFVZJNES-GFCCVEGCSA-N 439.460 0.785 30 10 ICEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1555810650 IMPIKMTWJRQAOA-ZWKOTPCHSA-N 446.533 0.438 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588055295 VCZGGADZFIEKPZ-FUHWJXTLSA-N 443.529 0.913 30 10 ICEE C#CCN(c1nnc(COCC)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588074774 RJPQIFFGCISZQS-SJORKVTESA-N 425.555 0.162 30 10 ICEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 1656288804 HPUHBMJPIOJUFH-SFHVURJKSA-N 426.926 0.787 30 10 ICEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(S(=O)(=O)NC)CC2)ccc1OC 1678730794 CGTMBYWOWOWHRE-OAHLLOKOSA-N 425.511 0.668 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689987813 CQSZXNIBKQNTOP-GOSISDBHSA-N 434.610 0.808 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1689991196 XYJJRDVYFGTHJB-HZPDHXFCSA-N 433.538 0.806 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690667935 MYQVAHUZJKSTFU-MRXNPFEDSA-N 446.519 0.963 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1690670539 DPFVBXQUKCPKBW-LBPRGKRZSA-N 441.945 0.506 30 10 ICEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1697617560 CTDOZSCVQXCUEY-INIZCTEOSA-N 442.476 0.453 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1705552176 WDPHSFKJLFCSNP-SFHVURJKSA-N 433.534 0.932 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1705564214 MNFTYCXVQMKLJB-MRXNPFEDSA-N 426.506 0.636 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1705645309 PZBIOELQKOKECZ-UHFFFAOYSA-N 430.534 0.509 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1722384016 MAXQCASMOOEXIV-KRWDZBQOSA-N 435.550 0.643 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722555517 LMZDKRLACRTWLD-CZUORRHYSA-N 434.971 0.948 30 10 ICEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1728815798 GNNVRSZUJGHGFN-QFBILLFUSA-N 439.538 0.484 30 10 ICEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1730889044 ZUUPDXHNBFSNMX-HZPDHXFCSA-N 427.465 0.426 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C(C)C)CC1 1740700892 MGPPDBMQNJVLJM-JOCHJYFZSA-N 430.553 0.887 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740758405 XFAZKCUNYJXNDJ-WBVHZDCISA-N 435.554 0.741 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)C1 1740980092 HUKMEXNGDRZKKO-JKSUJKDBSA-N 425.555 0.878 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1741110522 DZGBYXBUBPOAPW-LJQANCHMSA-N 440.504 0.985 30 10 ICEE CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741291607 HZBIHZWWBLJNHB-XZOUCZQKSA-N 445.524 0.517 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(CC)S(C)(=O)=O 1748670737 BGFCCFWPUDFXKX-CABCVRRESA-N 431.584 0.310 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nc(C)no2)CC1 1749009580 KQCAECJQHZSARL-INIZCTEOSA-N 440.508 0.519 30 10 ICEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1749462241 RPFMMKQSEXKVOW-UHFFFAOYSA-N 428.584 0.515 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749729362 HTWBQKMLSIPDJG-UHFFFAOYSA-N 447.565 0.151 30 10 ICEE Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751931060 LTRBYTMAXYVFHT-VHEBQXMUSA-N 426.456 0.974 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1760464888 RDURKBNKFNELEU-MRXNPFEDSA-N 440.570 0.636 30 10 ICEE C=C[C@]1(CN)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136332 WINDMHIFMKMOJW-OALUTQOASA-N 425.482 0.556 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)n1 2255606782 UMCHYGCSEJSLIJ-CHWSQXEVSA-N 433.318 0.948 30 10 ICEE Cn1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255648297 BCTPGLVCFRQSJH-FQEVSTJZSA-N 438.334 0.725 30 10 ICEE CC[C@H](C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 31294843 XBWIHRJEMMBRCO-HNAYVOBHSA-N 436.534 0.568 30 10 ICEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccn1 475773462 XMJSVACWEAHZIL-UHFFFAOYSA-N 427.442 0.431 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCCO1 480939937 YJLJVQXBTFAORB-ZDUSSCGKSA-N 449.554 0.425 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 492353338 INISTFNCMBHRTO-INIZCTEOSA-N 430.505 0.503 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCN1CCOCC1 514916056 DZFOWCGBVOWSIR-UHFFFAOYSA-N 438.962 0.206 30 10 ICEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 532059326 XJPWOEJLFWDRKH-INIZCTEOSA-N 435.488 0.861 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 553805104 XAAAKCCCSKTQSY-INIZCTEOSA-N 440.525 0.583 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 553805105 XAAAKCCCSKTQSY-MRXNPFEDSA-N 440.525 0.583 30 10 ICEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 590927528 GSLIQUIJBVBUSN-UHFFFAOYSA-N 440.569 0.517 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)cn1 735069375 SVWUSSZOWKXBDR-UHFFFAOYSA-N 429.571 0.930 30 10 ICEE C#C[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)[C@@H]1CCCO1 776225211 AFNCFYRTTKGRKP-FHWLQOOXSA-N 428.537 0.732 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCc2nc(O)c(C)c(O)n2)s1 1178894083 QSUTYEGNDLGUHW-UHFFFAOYSA-N 426.520 0.966 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1286377228 UPAHGJLLMZQVOQ-BBWFWOEESA-N 425.555 0.886 30 10 ICEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1286712441 ZCFUPDJNOPMIAZ-HZPDHXFCSA-N 429.543 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(C)=O)CC1 1286823322 UORJFDAYQYBEKM-UHFFFAOYSA-N 432.550 0.970 30 10 ICEE O=C1CO[C@@H]2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2N1 1298975152 VMKSGRUEXTVFHS-HZPDHXFCSA-N 434.518 0.401 30 10 ICEE COc1cc(CNCCN/C(O)=C2\N=CC=CC2=O)ccc1OCC(=O)N1CCOCC1 1318520887 CXNYJBHNWDPTDT-QURGRASLSA-N 444.488 0.549 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358961848 GFORBKTVXZNMOK-CVEARBPZSA-N 448.574 0.864 30 10 ICEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1358975981 MCQSSZOFWQVJFP-UHFFFAOYSA-N 427.534 0.837 30 10 ICEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359602790 ULOGKYHSZUKPIY-UHFFFAOYSA-N 437.504 0.515 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1460195955 GNPPXNCTLMYMTH-LJQANCHMSA-N 445.568 0.717 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)C1=O 1471400836 AGWRXCIRGFZILU-VIFPVBQESA-N 425.385 0.307 30 10 ICEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1503831425 PJFBRVSPNVKMAX-HUUCEWRRSA-N 432.462 0.480 30 10 ICEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1505120611 HBPRBKSVABJVLV-GOEBONIOSA-N 430.490 0.410 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1507643799 RXEJANMNBPGICK-UHFFFAOYSA-N 439.339 0.668 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1507704836 LCXPIQSXXGZELE-UHFFFAOYSA-N 428.518 0.938 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1539053188 MGIKUWNGAIUOCB-OAHLLOKOSA-N 426.543 0.970 30 10 ICEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539076046 JSHRQYYUQPOMEU-UHFFFAOYSA-N 434.508 0.403 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1539415236 BPMPDBUVBPNVKE-HNNXBMFYSA-N 447.508 0.742 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCC(F)(F)F)CC1 1539428652 VKBYPRCEFLAOGX-UHFFFAOYSA-N 443.474 0.630 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540902422 IRVJOVTWFSJSLY-QLFBSQMISA-N 426.495 0.887 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1 1558073630 WQTDNRUCPSOPAI-MRXNPFEDSA-N 444.554 0.014 30 10 ICEE Cc1ccccc1CN1CCCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1560193442 ABVPOYAQODQEKF-RBBKRZOGSA-N 430.574 0.900 30 10 ICEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1570537825 HCUIPZBKRPXVAH-QZQOTICOSA-N 430.530 0.784 30 10 ICEE N#Cc1c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)[nH]c2ccccc12 1596758110 JZNPXINMHHZNJG-CYBMUJFWSA-N 436.515 0.314 30 10 ICEE COC(=O)CN(CC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1629734696 GMDPHEADCULCEB-HZSPNIEDSA-N 429.495 0.182 30 10 ICEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1640250261 JFXTZOBWLFTMDQ-LJQANCHMSA-N 433.490 0.450 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O 1711084290 CDTZACXMHXECAF-UHFFFAOYSA-N 445.549 0.961 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1712696414 AMWWUFFUQZROTC-CABCVRRESA-N 445.567 0.124 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1722291386 FCFAUFIXEVJESF-CYBMUJFWSA-N 429.506 0.199 30 10 ICEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722359476 NCQJVQCTBYXNAH-OAHLLOKOSA-N 446.924 0.797 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722436989 IBAZQICZHGJKIJ-IAGOWNOFSA-N 442.486 0.800 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1726444919 ANETWXWIZRBSNZ-OAHLLOKOSA-N 435.492 0.658 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1730586420 IQFOPIIZVQOJPH-QGZVFWFLSA-N 434.522 0.608 30 10 ICEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1740684772 BCSLTAHYPWPPTI-UHFFFAOYSA-N 426.525 0.626 30 10 ICEE C=CCSCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1741004565 FKDYHBWCWYDHGX-HNAYVOBHSA-N 425.555 0.801 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1748751214 DGOHOQWZXHDNCR-SFHVURJKSA-N 438.598 0.991 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748815582 RNKSRYOPQRYJTJ-IAGOWNOFSA-N 445.549 0.222 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1748948762 VLLSJCVPVYPIRP-UHFFFAOYSA-N 447.521 0.047 30 10 ICEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1749484816 KAZDDVKELCWHTC-UHFFFAOYSA-N 443.533 0.850 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749677221 RUOCUCCDHUIZKH-UHFFFAOYSA-N 425.518 0.889 30 10 ICEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749809129 DBALNRMRZATCOW-QFBILLFUSA-N 438.529 0.881 30 10 ICEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1766383727 WULVUBRFDVLJRH-SJLPKXTDSA-N 437.504 0.922 30 10 ICEE CCn1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255811274 BEXMMPICDROEIA-ZDUSSCGKSA-N 438.334 0.818 30 10 ICEE COc1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1C#N 427152906 ODGULYUKWKPGRC-UHFFFAOYSA-N 430.486 0.981 30 10 ICEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 532098753 ICZIORIAWMCMPA-UHFFFAOYSA-N 427.486 0.611 30 10 ICEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 532770280 VUWROZIEYYMKCC-UHFFFAOYSA-N 427.914 0.345 30 10 ICEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541798830 NPBPYUBHRBNFRF-UHFFFAOYSA-N 430.486 0.802 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 751021075 NFFZRTUCIRXLML-ZDUSSCGKSA-N 429.472 0.071 30 10 ICEE C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn3ccccc23)c1=O 758051854 OIEHCVGUYISCDS-UHFFFAOYSA-N 449.536 0.625 30 10 ICEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)CC2 758525212 JWNVXRNLASZCAY-WCQYABFASA-N 444.435 0.875 30 10 ICEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)nc2)CC1 801552544 DVGFBSYXLWOJCB-CVEARBPZSA-N 442.545 0.989 30 10 ICEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 1124726285 SLJGNTIXIWQDBX-UHFFFAOYSA-N 428.470 0.800 30 10 ICEE CN1CCC(C#N)(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1136630635 VLFOTEKOZVKQGC-OAGGEKHMSA-N 440.566 0.761 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]12 1226109366 AZJVOQQUFARLLZ-MLHJIOFPSA-N 432.502 0.507 30 10 ICEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1286362669 GOJGUYFZEQBJJW-HXUWFJFHSA-N 431.566 0.683 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286386926 JYFHJWDAIOAPEV-SCTDSRPQSA-N 447.561 0.962 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300487706 LRBDCISCAYCDQM-IRXDYDNUSA-N 432.550 0.621 30 10 ICEE N#Cc1cn(CCNC(=O)c2cc(I)ccc2F)c(=O)nc1O 1301213497 QEVUKBZCFHKFNS-UHFFFAOYSA-N 428.161 0.994 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 1301399725 SZAPERHAXMOILW-TXPKVOOTSA-N 426.539 0.730 30 10 ICEE CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1337484395 VCYVJFGUNCNXFM-UHFFFAOYSA-N 436.519 0.569 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358929934 KYUCCKPCWZENLK-ZWKOTPCHSA-N 448.593 0.336 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1358948697 IQPNWORPNCSJMK-IRXDYDNUSA-N 438.598 0.801 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358955501 MYRMBKBLKQAIQD-WBVHZDCISA-N 436.582 0.526 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359091155 JRRFSTZESCXXDC-HWMZRRJGSA-N 440.570 0.536 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359298124 ODGXQZUREVZJFL-UHFFFAOYSA-N 446.471 0.770 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1359333259 RWRMLFNVLALCCK-QLFBSQMISA-N 432.568 0.395 30 10 ICEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1478419692 AHZFPZZZHCQMBZ-GOSISDBHSA-N 431.518 0.873 30 10 ICEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1502128855 JVHRNSCRTLRDEY-PVHMMBIOSA-N 443.508 0.761 30 10 ICEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505056451 XPGPCNXPJOIIFC-KRWDZBQOSA-N 440.508 0.485 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2conc2COC)CC1 1507732016 BEGDSFXFITZAJF-LPHOPBHVSA-N 430.509 0.940 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508094780 QBCJVIRSFVUVLJ-RHSMWYFYSA-N 447.467 0.659 30 10 ICEE C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1520779296 XBCGHHSCDSXUIJ-WFASDCNBSA-N 433.494 0.212 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1539013810 JXSIIACPNVLFJJ-ULQDDVLXSA-N 426.587 0.799 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1539052263 CCUVXPHHNUUHRM-AWEZNQCLSA-N 446.599 0.210 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1539153734 AGDBTYZLUUWAFV-UHFFFAOYSA-N 425.536 0.309 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1539180276 YTZHGBXNUAFBOJ-MRXNPFEDSA-N 433.538 0.578 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1540873333 VFPAOLFDXQPISN-UHFFFAOYSA-N 431.522 0.300 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1541733806 WGMDYWMIHVYIIF-CKJXQJPGSA-N 432.525 0.962 30 10 ICEE COCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1555207522 LUUUXGQOCURQNS-INIZCTEOSA-N 427.465 0.474 30 10 ICEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555561803 GMROEBOPBXWYPI-AWEZNQCLSA-N 434.526 0.128 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)CC1 1588811280 FBYQQXVMEPNZFJ-KRWDZBQOSA-N 436.582 0.098 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588848440 FUQYYHOHXIPFNU-UHFFFAOYSA-N 445.527 0.932 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1589216691 VHHHJLOVFMULMW-HNAYVOBHSA-N 438.554 0.081 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1595577616 YTTBTVWSHZBPGP-ZDUSSCGKSA-N 431.522 0.274 30 10 ICEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)n[nH]2)c1C 1626898417 XZAHWEFCNCRTMB-ZDUSSCGKSA-N 434.522 0.451 30 10 ICEE C#CCN1CCCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1628355013 UMWAFMYCQYQOTF-UHFFFAOYSA-N 427.567 0.968 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)s1 1629571535 NPMAORSCMUPLEF-OAHLLOKOSA-N 442.607 0.814 30 10 ICEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1690094166 UWNXMPHXIYTMDM-UONOGXRCSA-N 433.625 0.823 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690146283 KAVDOPBLIYMFHV-KRWDZBQOSA-N 449.577 0.573 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1705598682 OUEIKPNVLQOTQQ-FXAWDEMLSA-N 437.566 0.481 30 10 ICEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705887170 QWVSKLHPCJJEDL-UONOGXRCSA-N 434.588 0.182 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1711960645 CWXIKUYQFKSSAF-HNNXBMFYSA-N 426.477 0.965 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1722382608 BAHWFZOGUGDFOD-QGZVFWFLSA-N 435.550 0.501 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722436479 HZEDZYCEDDUQLH-MSOLQXFVSA-N 436.582 0.556 30 10 ICEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1722446577 DTXDZZMVRFPUTB-INIZCTEOSA-N 430.509 0.813 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722695116 SZWVIMQIJRMQFC-OAHLLOKOSA-N 447.517 0.642 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1723927979 CPDKGHIBXANNKR-UONOGXRCSA-N 447.521 0.602 30 10 ICEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1O 1731136753 QCWQYPSDOORPQD-CFLQYTFWSA-N 431.518 0.573 30 10 ICEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1740531736 RUYSERHZAQCDDW-HMWBCQRISA-N 434.460 0.910 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748811030 AHSCMOKIZGBBMR-KXBFYZLASA-N 433.559 0.835 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748816443 ZVPQWIFHMLYORF-DLBZAZTESA-N 449.577 0.941 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1748844502 TZVWBEMDIHKLDM-SFHVURJKSA-N 425.514 0.948 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749650309 RQNZOOOOBXVXGK-MRXNPFEDSA-N 440.508 0.532 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C1 1749721408 JARBPZQYMYQLQQ-SCTDSRPQSA-N 435.525 0.642 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncn(C)n2)CC1 1760270820 BOGXNFQKXXDBMI-UHFFFAOYSA-N 436.524 0.282 30 10 ICEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763211027 CPYSXBNIGHNLKU-BOJWAVRLSA-N 443.508 0.413 30 10 ICEE Cc1nc(C2=C(N)N(CCc3ccc(S(N)(=O)=O)cc3)CC2=O)sc1C(=O)N(C)C 1872795997 HPUDUMYOZHDMBR-UHFFFAOYSA-N 449.558 0.555 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255619988 UXFLOSHOZSYZQQ-UONOGXRCSA-N 436.318 0.809 30 10 ICEE CN1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267136396 KBIJRHYWNNBCMK-CQSZACIVSA-N 449.361 0.990 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2269066103 XGVFYUWWNXNQIX-HNNXBMFYSA-N 444.297 0.904 30 10 ICEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2317606361 VAVKZJDXRODVAV-CYBMUJFWSA-N 438.334 0.989 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1=O 520916245 SMIHCGSEJVDHHK-AWEZNQCLSA-N 435.458 0.555 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)COc2ccc(C#N)cc2)CC3)CC1 580790159 LCRQTLRRLIHHKA-SFHVURJKSA-N 436.516 0.900 30 10 ICEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 590897296 JVTJKQFNJRHLHP-UHFFFAOYSA-N 439.493 0.657 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)cc1 676099824 GSTVJIFVMRUEKI-UHFFFAOYSA-N 434.522 0.828 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cnn(CC)c1 729672540 TWSDQXOBQVMPEQ-UHFFFAOYSA-N 447.524 0.792 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 731860966 CNCSMRBIMZHRIK-LZICOFPGSA-N 432.502 0.730 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 734813323 PPYDNDZWFFBTTH-SIKLNZKXSA-N 426.517 0.498 30 10 ICEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 735921915 ZAZNEOJODQNYPG-UHFFFAOYSA-N 427.910 0.557 30 10 ICEE COc1cccc(N2C[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)c1 751235580 CLGNEZSNCCCMJZ-ZDUSSCGKSA-N 428.470 0.655 30 10 ICEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760913291 PSHLOUKDATWYHV-QHCPKHFHSA-N 447.499 0.964 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccn(C)n2)C1=O 765547043 IULMXPGGOSWJPM-QAYQYMSWSA-N 443.577 0.926 30 10 ICEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1F 782934863 UQHAARUJHBKSLN-OAHLLOKOSA-N 448.528 0.857 30 10 ICEE C[C@H](C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)n1cnc(C#N)n1 798741414 PPAGNEVLCVHBPE-CQSZACIVSA-N 443.439 0.176 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 802554059 ZWWCAGGORJCAMA-HNNXBMFYSA-N 442.542 0.466 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)s1 1140325096 GWEJDSQBIXAHPQ-CYBMUJFWSA-N 435.593 0.637 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCCC1=O 1147550139 YNNKHYKXKUEQOR-HNNXBMFYSA-N 434.518 0.795 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286274835 PFTSFGZRVMPYJT-HZPDHXFCSA-N 425.493 0.878 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1286280307 WZZSKCDAECPHOX-FOIQADDNSA-N 433.534 0.805 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1286416226 PFTQXSZRIZNQBA-UHFFFAOYSA-N 442.520 0.767 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1286466563 ZSAPGWSRLMYXRV-DYESRHJHSA-N 448.593 0.523 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCOC(C)(C)C2)CC1 1286471747 NZKZCPGGSCZSBT-LJQANCHMSA-N 434.585 0.868 30 10 ICEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286509501 RNYCLHUXKSYVNU-CABCVRRESA-N 448.636 0.806 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C)C1CC1 1286736927 JKGZCVCHBNIPMH-QGZVFWFLSA-N 435.554 0.856 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286785793 IVNHYGLINHMIPK-CABCVRRESA-N 428.497 0.682 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1286787560 WMGROFUWUUQQBM-HNNXBMFYSA-N 448.487 0.706 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1300283514 NCOWLCHTNODUDS-CQSZACIVSA-N 428.522 0.830 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1300971450 AAIIRVCTPRIAOF-HNNXBMFYSA-N 442.586 0.928 30 10 ICEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1301278322 LCGDIWNPPIUVMD-UHFFFAOYSA-N 427.552 0.862 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301609304 GXHUUPJCAHDKCC-MRXNPFEDSA-N 433.582 0.549 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c1 1302530369 NBYVIHDNTLIVOZ-UHFFFAOYSA-N 441.575 0.828 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1303003416 HAPRHKPQVGXQTG-DLBZAZTESA-N 446.533 0.791 30 10 ICEE C[C@@H]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1304965822 CLUSFDCELRPOID-YYIAUSFCSA-N 438.554 0.776 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)NCc2nn(C)cc2I)CC1 1312689026 QBVCDRMXNWJYQK-UHFFFAOYSA-N 429.262 0.696 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358960470 FOWZNNJMNBXYQA-CYBMUJFWSA-N 426.449 0.644 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1359069860 ACRCLMJTFDTTCQ-OXJNMPFZSA-N 435.550 0.421 30 10 ICEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359086585 BSSYAFVNGAIHJX-CQSZACIVSA-N 438.330 1.000 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359302706 QXKSWZWYTDDOMJ-SFHVURJKSA-N 425.537 0.725 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 1471451053 NBEZAXCVMPUKED-UHFFFAOYSA-N 426.882 0.250 30 10 ICEE NC(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505336564 PCFIGGDNIGNMKY-RMYFCYLKSA-N 441.517 0.768 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507532338 GVKBRTOBADMRCC-ZIAGYGMSSA-N 434.522 0.745 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507628850 IRKOVPLHSKWMQG-DLBZAZTESA-N 433.534 0.716 30 10 ICEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507783517 DPFMGDKMIDVGTQ-GFCCVEGCSA-N 432.282 0.396 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1508086392 KYCNGFGLGLKOOB-SJORKVTESA-N 441.540 0.656 30 10 ICEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)NC)CCOC1 1516199244 RSELVQZROSDNKD-NRFANRHFSA-N 441.492 0.601 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1517625481 HRKUPXYRUJBIBC-WBVHZDCISA-N 443.533 0.328 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1539803034 DFEDKMDLMKSPGH-CQSZACIVSA-N 428.902 0.914 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540902043 YNKADVFYRCFKHB-HNNXBMFYSA-N 431.522 0.463 30 10 ICEE CCc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546431206 ZMYRJRGBIRIIPE-HNENSFHCSA-N 431.541 0.914 30 10 ICEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1552656099 APOQYNYQIPHTCD-ROUUACIJSA-N 437.504 0.902 30 10 ICEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1555724235 IWFBGXAAVSXBAY-QGZVFWFLSA-N 441.492 0.606 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 1561869172 MZLGHKCKQLGLBT-UHFFFAOYSA-N 435.940 0.119 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Cl)CC1 1588929629 DUHVGXCJBJXNRO-HNNXBMFYSA-N 425.942 0.899 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595561830 CWUZXONORRAXCP-PXNSSMCTSA-N 443.596 0.912 30 10 ICEE CS(=O)(=O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1611518462 XCJWTMVHMKVLJL-HIFRSBDPSA-N 425.894 0.837 30 10 ICEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C#N)cn1CC 1678536778 CCYZGDSHOWMOCV-UHFFFAOYSA-N 446.508 0.565 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705565225 HEGOJGHYCKEIGI-XWBFJWKOSA-N 440.591 0.710 30 10 ICEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705818711 SSKBPIJVALMXKX-INIZCTEOSA-N 429.525 0.466 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1705899268 MXZNDSVUUILJCD-UHFFFAOYSA-N 442.476 0.271 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)C1 1705926095 YLLYHJHOBQGUGM-CVEARBPZSA-N 441.554 0.429 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1705932877 MOMZLYFHNHEZIA-UHFFFAOYSA-N 449.533 0.889 30 10 ICEE CCc1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709062343 KHRWSKVUQDCKFW-VHJGWARJSA-N 429.525 0.524 30 10 ICEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1709464108 CEYUDKWLAWLGHP-JYJNAYRXSA-N 438.554 0.461 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnnn1CC1CC1 1722466637 BMQDOMGGNNOLHI-SCLBCKFNSA-N 433.542 0.325 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC=C)CC1 1740698053 RBMTXKIACKZIPN-UHFFFAOYSA-N 442.545 0.406 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1748929182 GAGMCISUFTTYQC-SJORKVTESA-N 447.565 0.845 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749671211 ZUHBIOXVMCWVJS-GOSISDBHSA-N 445.568 0.219 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1760555219 AGIKWAGHRVVCFM-CQSZACIVSA-N 432.568 0.396 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)C(C)(C)C2=O)CC1=O 1854771553 FXKOQPZVUUBRKI-AWEZNQCLSA-N 437.493 0.998 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCNOCc1ccccc1 2247881037 QCHYFLNWTHUEJI-UHFFFAOYSA-N 436.343 0.719 30 10 ICEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248442044 PHHNQPSMGAYLJI-UHFFFAOYSA-N 441.363 0.654 30 10 ICEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256069616 ONCKUSHEMAGNJR-UHFFFAOYSA-N 434.302 0.487 30 10 ICEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H](O)CO)c(Cl)c2)OC1(C)C 2282497922 WSHICIWHSGZEKQ-SNVBAGLBSA-N 426.127 0.924 30 10 ICEE COc1cc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 461344259 SNDCFMNLDLRRLK-CQSZACIVSA-N 430.490 0.372 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 495791033 YBFGCDFREQAKMX-FUHWJXTLSA-N 448.545 0.855 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2OCCOC)CC1 520495216 LQNKUURRGRBFME-UHFFFAOYSA-N 427.505 0.958 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 524498572 WPVZKHZRIBNOJO-UHFFFAOYSA-N 442.564 0.204 30 10 ICEE C=CCNC(=O)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 540798480 QEILMPLPHGXQLC-UHFFFAOYSA-N 432.296 0.221 30 10 ICEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 729331424 CSAPKALZDXBKGI-CVEARBPZSA-N 430.482 0.724 30 10 ICEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)c1 794578878 GCQNUFABWSFZAW-SJORKVTESA-N 427.526 0.926 30 10 ICEE CS(=O)(=O)N1CC[C@H](COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 801192355 UPZKLNPTMONFRR-ZDUSSCGKSA-N 429.520 0.330 30 10 ICEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1155873864 QSAWQRNDIDCRDH-UHFFFAOYSA-N 425.576 0.969 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1223546262 INPYOGOGQDBFNL-HXUWFJFHSA-N 449.577 0.627 30 10 ICEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286609746 QUOVLOPPPKFVCK-QGZVFWFLSA-N 442.495 0.748 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1286779653 JZGOKAHBVZEGCE-HNNXBMFYSA-N 447.565 0.647 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1286780321 DQCFAHYIVXJQSG-UHFFFAOYSA-N 446.581 0.806 30 10 ICEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300746136 PXVJWXMMNFIJRJ-AWEZNQCLSA-N 445.936 0.507 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1300764648 ZMGCLJJFTCSIAP-QLFBSQMISA-N 431.559 0.772 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCCS(C)(=O)=O)CC1 1301124753 LBSHKHQQPZAUPA-INIZCTEOSA-N 446.595 0.644 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1301586335 KOWMGRNCQBYHDP-UHFFFAOYSA-N 438.598 0.922 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302494545 LBPWWYLHDXLCPB-QGZVFWFLSA-N 430.538 0.456 30 10 ICEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CCO1 1303003659 JGISKMYWSQZIPZ-ZJUUUORDSA-N 440.270 0.897 30 10 ICEE Cc1cc(O)nc(N2CC[C@H](NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1303599820 GPQNDCZKJLJXLS-JSGCOSHPSA-N 444.517 0.703 30 10 ICEE CCN1CCN(C(=O)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1306851477 DWBUMXDYHMVKRP-KRWDZBQOSA-N 426.477 0.044 30 10 ICEE CC1=CN2C(=O)[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c3csc(N)n3)[C@@H]2SC1 1307335729 ITQRSTUCWZVUCT-GWCFXTLKSA-N 425.492 0.613 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358904637 IUUBJXNGOZFLKQ-CVEARBPZSA-N 441.579 0.319 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1507631497 QBOXNTWMZDDFCO-RYQLBKOJSA-N 448.549 0.357 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1508149193 PYNOONYGBJSMRJ-BEFAXECRSA-N 441.554 0.246 30 10 ICEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1516606730 BNPSTHANEJOYEP-OAHLLOKOSA-N 431.497 0.798 30 10 ICEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(C#N)n3)CC2)cc1 1531315348 AMJMQGIHNVAAKF-UHFFFAOYSA-N 429.502 0.844 30 10 ICEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1533410334 BSOHZHWXBUEUIW-UHFFFAOYSA-N 427.482 0.749 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540865454 HINWFTUJCRANJO-LJQANCHMSA-N 449.515 0.947 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1561667965 KZMARVBZYAWQRY-MRXNPFEDSA-N 428.555 0.083 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1588053848 IMWBQMXYKRWSKR-KRWDZBQOSA-N 440.591 0.997 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588064507 JICQXMMKKHMTNJ-KRWDZBQOSA-N 430.534 0.415 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1595761165 YLXDHCWXKNDHBQ-OWCLPIDISA-N 425.555 0.878 30 10 ICEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2=O 1617481422 USFBQNXSPALVAO-WZBLMQSHSA-N 436.534 0.520 30 10 ICEE O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N[C@@H]1CCN(O)C1=O 1624906642 OZHTUAOMDLIWFK-OAHLLOKOSA-N 429.290 0.812 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 1641478538 LSBIOSVVFRSZGD-OAHLLOKOSA-N 427.490 0.597 30 10 ICEE COCc1nnc2n1CCN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2 1659314827 XRIGGSGAGKFOTR-SFHVURJKSA-N 427.484 0.788 30 10 ICEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705799886 JBPYFGDNBLODQJ-GJZGRUSLSA-N 425.559 0.801 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCCOC)C1 1705890867 NMMURTMGZRNVPR-CVEARBPZSA-N 429.543 0.286 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1705895805 SQYUAHOXZUPBJE-UHFFFAOYSA-N 443.327 0.573 30 10 ICEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1710874211 BCBKNIAPAIXXTI-KRWDZBQOSA-N 443.533 0.807 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1723954853 KYKGGJFIRGPYPA-DTWKUNHWSA-N 443.274 0.605 30 10 ICEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740850216 DHQZTWWRNFCHME-OWCLPIDISA-N 441.554 0.775 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCN(C)C2)c1 1748693070 XDEKIKYKCIYSCZ-QHCPKHFHSA-N 448.531 0.801 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748812183 RPFUHIXLCRVAGO-OAHLLOKOSA-N 426.506 0.452 30 10 ICEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1748965109 MPPAMMLWGJVUQM-UHFFFAOYSA-N 437.504 0.461 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1749678107 WDTJELKUIAYBOL-OAHLLOKOSA-N 445.549 0.093 30 10 ICEE CS(=O)(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1750208206 LHJCXZWORRJNJQ-UHFFFAOYSA-N 447.521 0.385 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(C)=O)CC1 1760264827 GMWJEMVAUKNWBQ-UHFFFAOYSA-N 429.525 0.006 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760565594 AJXAAICIZFEMGF-KBPBESRZSA-N 427.552 0.740 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CCSC2)cc1 1771533892 CYEWBPIYQGUASC-IBGZPJMESA-N 449.558 0.832 30 10 ICEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244279621 DPIVIPSYZDWBHI-CQSZACIVSA-N 429.514 0.657 30 10 ICEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628801 NEIIEIDYWHLEBK-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CCNC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 472477792 RCWWCSIQXLHQON-INIZCTEOSA-N 434.522 0.378 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)CC1 512152342 BUIJWPGAKFUUAH-KGLIPLIRSA-N 437.570 0.693 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(=O)N(C)C)CC1 519704345 CRBRVAUNKCYYAP-OAHLLOKOSA-N 427.575 0.065 30 10 ICEE CCOC(=O)c1cnn(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1C#N 544677055 VGCRLXXRUPCRRB-UHFFFAOYSA-N 448.505 0.886 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 555248536 WTNDOVXBUIPGIN-GJZGRUSLSA-N 426.543 0.279 30 10 ICEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 576889861 PNBZNCWHEQRFHB-ZWKOTPCHSA-N 436.557 0.605 30 10 ICEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)c1 589159847 VZCRCNZWZAKBBW-UHFFFAOYSA-N 449.488 0.798 30 10 ICEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCCn3nc4ccccn4c3=O)C2=O)cc1 733831633 YLUQJTQHTKDBDV-MRXNPFEDSA-N 434.412 0.816 30 10 ICEE CN1C(=C2C(=N)N([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)CC2=O)N(C)c2ccccc21 804600850 OWZWIXFXFNQPAB-CQSZACIVSA-N 432.550 0.917 30 10 ICEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cscc2C#N)CC1 814613872 VZDYYJKMAKFZAF-UHFFFAOYSA-N 438.487 0.915 30 10 ICEE C[C@@H](CC(=O)N1CCN(c2cc(F)ncn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1141254822 GYYGXOSHNMYTEJ-ZDUSSCGKSA-N 432.481 0.782 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 1156513374 OSVCYBVISVQLFG-GOSISDBHSA-N 432.278 0.958 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286390180 YHYJEMGTJZSYLY-MSOLQXFVSA-N 448.593 0.732 30 10 ICEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1300299709 BQHZKDZOYSPTIE-CQSZACIVSA-N 426.491 0.229 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300483753 LSYJQNCTGRRWLJ-HNNXBMFYSA-N 445.611 0.530 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1300578259 KDENQHBUKNVAQR-MSOLQXFVSA-N 435.550 0.499 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1300666093 VSNGKSLSYRLQPT-UHFFFAOYSA-N 428.518 0.938 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1Cc1ccc(C#N)o1 1303864064 YGRAWZJMZNLQAV-GFCCVEGCSA-N 433.494 0.212 30 10 ICEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1316111028 SEHKZHWVWIQJIA-INIZCTEOSA-N 431.522 0.420 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1358962108 KMMGLTBYZHJUOV-KRWDZBQOSA-N 440.591 0.997 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1359294413 SMQMWVVYPXVRQR-INIZCTEOSA-N 448.549 0.723 30 10 ICEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1502239465 DXKLNURZPYHMQW-UHFFFAOYSA-N 429.510 0.462 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507732867 YNKVAEGUTFKDOU-GJZGRUSLSA-N 429.493 0.360 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1507836857 BROJWLGBEIMZPU-HOTGVXAUSA-N 438.558 0.914 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508095060 RYWOACPEPMFARI-INIZCTEOSA-N 446.483 0.640 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1510217515 HMTZTRMXXNWLEJ-JJRVBVJISA-N 443.599 0.054 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539210147 BBEBVKUWYWIMRS-MRXNPFEDSA-N 430.534 0.437 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539215910 LKDJEVDBPOVMSL-INIZCTEOSA-N 429.506 0.958 30 10 ICEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1540869992 BWWCABZLLWASMK-UHFFFAOYSA-N 430.513 0.699 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1541803068 BWRKMWLOJGFKEC-RKVPGOIHSA-N 442.542 0.155 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541936120 XQZDPSZUGMNHEN-FSZRXZPDSA-N 426.543 0.558 30 10 ICEE N#Cc1c[nH]c2cc(C(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)ccc12 1544728969 ZHOIKPULAAIOIM-OAHLLOKOSA-N 436.515 0.314 30 10 ICEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1=O 1555584317 DJVMFZYVPNBGSD-AOMKIAJQSA-N 440.504 0.652 30 10 ICEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(Cc2ccco2)c1C 1560177691 AQWPPWJPMGJYCU-QFIPXVFZSA-N 427.505 0.935 30 10 ICEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCC3(CC1)CC(=O)C=CO3)CCS2(=O)=O 1565449303 NGPCNDMCABYGJK-RDYUPDBUSA-N 440.518 0.933 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1584458941 DRFLQDPQEIPWDZ-ZDUSSCGKSA-N 438.506 0.477 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588049255 DANNZFFIPZFARI-CQSZACIVSA-N 437.547 0.477 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588058672 AEAPZWDXMXKLNP-DYESRHJHSA-N 448.520 0.786 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1588983899 DDAICELYQODATF-CYBMUJFWSA-N 425.584 0.933 30 10 ICEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 1594824965 SYEVMEIZSIHJJP-UHFFFAOYSA-N 426.543 0.075 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)N4CCN(C)CC4)CC3)cc2C1=O 1616256426 HCGAHHYXJDIMRF-UHFFFAOYSA-N 425.489 0.594 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)ccc1F 1629839227 LSWJRGXWLJOTIE-UHFFFAOYSA-N 445.538 0.930 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1667864308 TZRCYVGDAFLNLB-IAGOWNOFSA-N 435.550 0.917 30 10 ICEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nn1 1683315440 RJHQIULIATTYLS-UHFFFAOYSA-N 430.494 0.557 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689996711 MOXDHUYUGMVSHR-KRWDZBQOSA-N 431.518 0.589 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)CC1 1690111801 KEJGWIYHLIOLRT-AWEZNQCLSA-N 437.957 0.740 30 10 ICEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696422653 ABCUCUULGXTNIQ-HNNXBMFYSA-N 448.553 0.518 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1705477015 IFTRECUCNGTQPZ-CVEARBPZSA-N 426.587 0.582 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1705564476 BFABDSVPBAYRDU-KRWDZBQOSA-N 442.545 0.801 30 10 ICEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705568160 IPZZTHJGTOKETE-CQSZACIVSA-N 449.558 0.421 30 10 ICEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1705569763 GZHUXCXQFDEKHM-KRWDZBQOSA-N 433.509 0.771 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1705582538 CTHSQWVLVCXCPI-SFHVURJKSA-N 429.502 0.755 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1722297089 XFIYONIXDQUJMJ-IRXDYDNUSA-N 426.587 0.799 30 10 ICEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1726694875 ZBUGKOWUDLTXLZ-KMMVWKSPSA-N 443.508 0.713 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740628265 OUVGAILLUBNAII-NVXWUHKLSA-N 435.506 0.939 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cc[nH]n1 1740653183 CRUBWDYDXXROPZ-UHFFFAOYSA-N 434.460 0.622 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1748929856 RBKOIQVPJODVQL-IAGOWNOFSA-N 426.587 0.801 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@](C)=O)CC2)CC1 1748994472 IQEULVPTQFWPQZ-PMERELPUSA-N 446.602 0.936 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750009529 VHIDUKDISCSTBG-BZUAXINKSA-N 442.542 0.012 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760201247 MRVLIJLPVGCCME-UHFFFAOYSA-N 427.468 0.676 30 10 ICEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCc2ccco2)CC1 1760261274 NGOXGZRUYDTGCK-UHFFFAOYSA-N 436.520 0.804 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CC(=O)NC(C)C)CC2)c1C#N 1762403207 PCFROECOGSAINI-QGZVFWFLSA-N 441.540 0.894 30 10 ICEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)s1 1772792292 KEKHBCYWWVLTAA-UHFFFAOYSA-N 437.455 0.417 30 10 ICEE COc1ccc(CN2C(=O)[C@H]3C[C@H]2CC=C3B2OC(=O)CN(C)CC(=O)O2)c(OC)c1 1857781907 BOFNFVFVUMESDC-ZBFHGGJFSA-N 428.250 0.810 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)n1 2255815472 OFTZXDYHOLSXJV-UHFFFAOYSA-N 436.318 0.743 30 10 ICEE C=CC[C@@](C)(CO)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524912 OYXYNXDPIUUQEV-QFBILLFUSA-N 428.507 0.949 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 522286794 WTCUFCAPGZIULB-NRFANRHFSA-N 428.581 0.605 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O 535856700 OATYBJBOUDIUDS-XJKSGUPXSA-N 436.827 0.844 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 537297160 QQMHNNMNMSEGDM-UHFFFAOYSA-N 446.529 0.818 30 10 ICEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C[C@@H]1CCCO1 603923516 CCDDIXDJAVQJJH-HNNXBMFYSA-N 427.482 0.124 30 10 ICEE N#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 761661719 KKUBLPLBKBVZHI-UHFFFAOYSA-N 427.458 0.455 30 10 ICEE C=CCn1nnn(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1=S 780765837 OTEGOOUJPQBZSI-MRXNPFEDSA-N 431.570 0.808 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)OC)nn2)cc1 811178635 PNBDXRRZSSMPNL-HZPDHXFCSA-N 436.446 0.326 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)OCc3c(N(C)C)n(C)c(=O)n(C)c3=O)cc2C1=O 814063847 PUFAMQOGLATIMN-UHFFFAOYSA-N 426.429 0.289 30 10 ICEE CCOCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 916869071 ZYRONEUWWBAOFN-SFHVURJKSA-N 437.518 0.881 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1207339379 LYWFEDIXVGFTSN-UHFFFAOYSA-N 445.563 0.992 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1286522064 GKVLQXMQGWJKIH-DNVCBOLYSA-N 438.554 0.128 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286819336 HAYUGIJFAUMIAG-HZPDHXFCSA-N 437.566 0.961 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1300512484 KDJFOCVWACULEF-UHFFFAOYSA-N 445.321 0.978 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1300516909 UVRKTCWGCKBZHF-UHFFFAOYSA-N 435.456 0.803 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301578725 GNUWLWMRTZKKDV-QGZVFWFLSA-N 434.522 0.282 30 10 ICEE CO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315694967 YFZUCDYTVBBSEV-KIJUOZEOSA-N 443.508 0.656 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1358872664 XFGHVPVVVIHWJS-HZPDHXFCSA-N 425.603 0.372 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 1464849381 QUXMIPCTNXONLX-GOSISDBHSA-N 439.516 0.282 30 10 ICEE CN(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1503405056 RJYGNVXVWQUDOQ-OAHLLOKOSA-N 438.492 0.901 30 10 ICEE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1517053923 UEXHUCADBXJPFB-WMQDPJMESA-N 434.522 0.695 30 10 ICEE CS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519600038 RSDDMDNADFVLQT-SFHVURJKSA-N 444.565 0.380 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1540871811 UOVOGQHFYJKQDW-ZNMIVQPWSA-N 426.543 0.005 30 10 ICEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1541864763 BWYLPJGJOFGGCM-SJLPKXTDSA-N 439.520 0.761 30 10 ICEE COCC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555203705 OAPVFBXXTKVZIU-FMQUCBEESA-N 443.508 0.052 30 10 ICEE N#Cc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1555987410 GXBWYZVQUNQDJH-CABCVRRESA-N 429.431 0.913 30 10 ICEE C#C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)C 1564872412 YELMGOHADLKEBN-INIZCTEOSA-N 428.555 0.921 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CN(Cc4ccccc4)C[C@H](C)O3)C2)C1=O 1583344869 MPNOQUHIYNMMRV-SBUREZEXSA-N 440.500 0.855 30 10 ICEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594660559 LIUIHDUEYHJAEI-UHFFFAOYSA-N 429.525 0.408 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1632623949 LCGNMXPHGFYIEX-UHFFFAOYSA-N 436.553 0.422 30 10 ICEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1637715632 YHRQRQWOEZYKPO-QGZVFWFLSA-N 449.529 0.169 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C 1690729270 KJWRBTARHQUHEB-OAHLLOKOSA-N 448.553 0.471 30 10 ICEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1698222730 UQZHBXGKOYSNBF-UHFFFAOYSA-N 441.536 0.690 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1740610298 WNYKDWNOEUVIOJ-HNNXBMFYSA-N 437.547 0.206 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1740970725 PWOJFUUOIZGJOH-INIZCTEOSA-N 432.525 0.578 30 10 ICEE CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CC1 1741057471 AOSHBSACWYBVFL-INIZCTEOSA-N 439.524 0.828 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1748671987 OZMKDBCRTBCAEB-HZPDHXFCSA-N 442.611 0.118 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803426 YNDTZIDNRBURKP-SFHVURJKSA-N 449.577 0.958 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749022365 ISJBSHALMSMHPL-GUYCJALGSA-N 426.568 0.114 30 10 ICEE CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1749205079 DCSSTTYNMHLGRU-MHDLXGQPSA-N 443.508 0.617 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749659392 BFDOCBFRNAKBML-QGZVFWFLSA-N 448.549 0.774 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1749732221 SWRHMYHKCFEMEC-UHFFFAOYSA-N 425.555 0.832 30 10 ICEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cs1 1751782912 ORPKDBFPHDNWHO-MRXNPFEDSA-N 431.522 0.612 30 10 ICEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190261 OVDDOCHZCHAZIU-HNNXBMFYSA-N 436.563 0.349 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1760206235 UKXZQABLTKDASF-MSOLQXFVSA-N 434.566 0.024 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760341500 GCZCVAVOVBZKCC-KZULUSFZSA-N 439.542 0.279 30 10 ICEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1769194426 BMYHCYRPTPOACM-INIZCTEOSA-N 431.522 0.328 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1CC(=O)N1CCOCC1 1770189182 DNMLRBJICHOZAL-HKUYNNGSSA-N 432.525 0.991 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1771365706 DUXKRCILZJCGLR-QGZVFWFLSA-N 439.473 0.387 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633118 WRPFTWBBUVWJDP-GXTWGEPZSA-N 436.318 0.667 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCCCC23OCCO3)n1 2282831677 CLKMIULJACCINL-AWEZNQCLSA-N 427.332 0.683 30 10 ICEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 508839411 FICWVIVCTKVADG-KRWDZBQOSA-N 432.550 0.902 30 10 ICEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508893283 GIZQHZQRCQQZBO-LJQANCHMSA-N 431.585 0.931 30 10 ICEE COc1ccc(C(=O)N2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(OC)c1 524165718 ZIVRPQMJJVRVPI-UHFFFAOYSA-N 427.461 0.690 30 10 ICEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)cc(C)n2)c1=O 539596425 JXLNGFFCONXDPS-UHFFFAOYSA-N 430.530 0.688 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671539 KSTRQGHDUUIMNM-MRXNPFEDSA-N 435.509 0.518 30 10 ICEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730144637 PKICSKBXGQKKEA-BAOKRACBSA-N 441.579 0.222 30 10 ICEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCOC 783943282 SPEBMPUROCAKBV-UHFFFAOYSA-N 443.554 0.833 30 10 ICEE Cc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1C 798729034 WRLBQJGPAYXIJM-UHFFFAOYSA-N 430.486 0.895 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1248375201 JVCGPOAXPBDHCS-ABSDTBQOSA-N 427.486 0.239 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286380888 FEARFSHLQDOWJK-QKLQHJQFSA-N 439.582 0.507 30 10 ICEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286380891 FEARFSHLQDOWJK-UWVAXJGDSA-N 439.582 0.507 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2COCCO2)c1 1300331891 UABXZQUCZSXSMI-SFHVURJKSA-N 440.504 0.888 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1301500509 MYDHWDRROUXLHP-BEFAXECRSA-N 425.555 0.878 30 10 ICEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1302168689 GXRDWWBKFWOBSP-GOSISDBHSA-N 448.549 0.950 30 10 ICEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1330173923 IFKPCECOKAAYBP-IWHJNQCMSA-N 426.539 0.812 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955319 JUHYHKTXLWTOHM-RDJZCZTQSA-N 438.598 0.773 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1358979159 DUTZUONELOMHNW-QGZVFWFLSA-N 448.936 0.781 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)CC1 1359035021 IRHUUBJRYNBFHL-LJQANCHMSA-N 435.532 0.691 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359298158 PDXJUAUGVHJVKN-UHFFFAOYSA-N 448.487 0.705 30 10 ICEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 1461992091 BCYNKQGZUJKLEZ-IBGZPJMESA-N 443.529 0.904 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507633378 RZEQDUXGYOSARQ-HZPDHXFCSA-N 437.566 0.919 30 10 ICEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508095360 WUCOMCYHGYWFJV-HNAYVOBHSA-N 441.554 0.244 30 10 ICEE C#C[C@H](NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N)C(C)(C)C 1535510176 KRLWUEAZEGSWAK-AWEZNQCLSA-N 435.525 0.865 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1539629746 YEORJELVRHEIOI-VQIMIIECSA-N 429.525 0.955 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 1539647860 YSNOMXBSQICLHH-KKSFZXQISA-N 446.552 0.852 30 10 ICEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1539731028 WDHSRTNBNYKNOW-CQSZACIVSA-N 442.542 0.560 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1540871764 SWZOOWGPTPAKNY-CYBMUJFWSA-N 448.496 0.149 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CC2)C1 1540897306 GNZZTJYLMLEMDH-DZGCQCFKSA-N 431.584 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccnn1C)C1CC1 1595789406 SCXNSQSWLGVGGV-MRXNPFEDSA-N 433.538 0.733 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)s1 1596560931 AYPJOQDIUMDGGH-ZDUSSCGKSA-N 435.593 0.685 30 10 ICEE CCOCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1617083317 MKPWLQUZTIEPCV-MAUKXSAKSA-N 444.533 0.870 30 10 ICEE COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619594267 WGTWVPZXFPRJGZ-MRXNPFEDSA-N 441.492 0.710 30 10 ICEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H]2CCN(O)C2=O)C1=O 1628370026 IPVZPVAKMCCEBL-BDJLRTHQSA-N 425.239 0.322 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)CC1 1676228441 DOWAAXPJWAEYOW-UHFFFAOYSA-N 435.550 0.463 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1689988741 VOVSUVIEXDQWEC-KRWDZBQOSA-N 440.533 0.957 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1690025265 KBJRLNQKCFSAEJ-UHFFFAOYSA-N 425.581 0.747 30 10 ICEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1690345780 CWLSHRFNKNBBQV-LRDDRELGSA-N 432.934 0.065 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690484801 DORIOJBBHORPQK-DNVCBOLYSA-N 438.554 0.436 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1705620852 JBPMPRFSPPXXKY-HNNXBMFYSA-N 446.474 0.765 30 10 ICEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705735869 GZZUWZFXMUEXOL-MRXNPFEDSA-N 440.570 0.588 30 10 ICEE COc1ccccc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1711987124 DLHLGXVHTFVYCO-GOEBONIOSA-N 434.522 0.868 30 10 ICEE C#CCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722341565 ZTVZYGAMKFCAFC-IBGZPJMESA-N 425.555 0.814 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722692773 WIBSHNNTIAQDOF-JKSUJKDBSA-N 431.541 0.746 30 10 ICEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1730827764 WMQGXZPSXNUZBN-KSSFIOAISA-N 427.527 0.292 30 10 ICEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1731188124 BRAPTMMWJJFDSD-HNNXBMFYSA-N 449.562 0.447 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740615548 GUBZEZGEEBIKLG-IRXDYDNUSA-N 436.582 0.385 30 10 ICEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740963562 ONQHUUCYHOMNOJ-KRWDZBQOSA-N 439.520 0.990 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740991902 HXOOHTVAXZENMY-OAHLLOKOSA-N 435.554 0.839 30 10 ICEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740993567 FJIRKSSCGMAARO-UHFFFAOYSA-N 440.570 0.753 30 10 ICEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1743385528 HWQIUNOXZJCQCN-IVZQSRNASA-N 440.504 0.970 30 10 ICEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1748820414 BGGDZDMHPRCXGO-IBGZPJMESA-N 441.557 0.992 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1749037549 GGUJTZGVHHBVTD-CQSZACIVSA-N 434.609 0.418 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1749119949 YRVIQRXXSXVQST-ILXRZTDVSA-N 447.583 0.104 30 10 ICEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749193500 LONWGFBDULNMIZ-HOTGVXAUSA-N 445.611 0.864 30 10 ICEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749677322 VVPFVZJZJAIGNL-UHFFFAOYSA-N 431.585 0.960 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760146033 ZYBXWRUDBZAENO-YOEHRIQHSA-N 429.568 0.317 30 10 ICEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760182895 KVMQBIHQQPYHTL-IAGOWNOFSA-N 443.529 0.859 30 10 ICEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(CC)CC1 1760225470 QFSBNUCNASPKIC-IRXDYDNUSA-N 425.603 0.374 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)CC1 1760257425 WEBXPLQLTGBABL-OAQYLSRUSA-N 428.541 0.734 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760269778 OMJXQNLORSFMGD-WMZOPIPTSA-N 449.577 0.573 30 10 ICEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1NC(=O)CC1(C)C 1764909110 FILCTSLRVGRMKF-MRXNPFEDSA-N 425.541 0.995 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1772566398 UVIBYEBAVCZYGR-QGZVFWFLSA-N 443.552 0.760 30 10 ICEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4ccccc43)C(=O)C2)C1 1856871066 OBQUWSIGTPDSNC-MJGOQNOKSA-N 430.530 0.705 30 10 ICEE CC(=O)N1CCN(c2nc(=Nc3ccccc3C#N)nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871730730 FDJKCORCBOBZOL-UHFFFAOYSA-N 449.519 0.246 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2022955711 WFPXRXGPSLYIIG-SOUVJXGZSA-N 426.319 0.878 30 10 ICEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(cnn(C)c2=O)C1 2087913016 SNTGFPYNESADDS-UHFFFAOYSA-N 432.488 0.951 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2255607038 VZBNMOYDWIHUSF-MPBGBICISA-N 433.318 0.854 30 10 ICEE Cn1nc(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 2255610722 ZYERLQBCZMGHPQ-RYUDHWBXSA-N 433.318 0.709 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(OCc2ccccc2)C2CNC2)n1 2255800926 WTRZFHYOQGWAII-UHFFFAOYSA-N 448.354 0.814 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 106069825 QTKXGILBYBFJAV-UHFFFAOYSA-N 428.533 0.750 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 576365571 YGTBTJMSRSXEOO-WMZOPIPTSA-N 449.581 0.990 30 10 ICEE Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COC(C)C)cc1 606631059 UHYHUWPVDKSYKR-CPHRPENTSA-N 428.493 0.974 30 10 ICEE COc1cc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)ncn1 764449587 BYMLQPAUHFVDSV-UHFFFAOYSA-N 444.517 0.653 30 10 ICEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)cc(Br)c1OCC(=O)N(C)C 765585009 VUCUPSMKHALDAL-UHFFFAOYSA-N 440.254 0.251 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802602385 RZAZEKDSXNKDST-IAGOWNOFSA-N 435.554 0.364 30 10 ICEE C#CCN=c1nc(N2CC[C@@](O)(C(F)(F)F)C2)[nH]c(N2CC[C@](O)(C(F)(F)F)C2)n1 804495562 GQORSQKCRKDFQE-OKILXGFUSA-N 440.348 0.346 30 10 ICEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCCO1 1116392162 SDZACSZHXCZZJY-KRWDZBQOSA-N 449.536 0.908 30 10 ICEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)CS(C)(=O)=O 1157836996 SRTIGKPNRCZDEP-RDJZCZTQSA-N 437.518 0.914 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)nc1 1178460258 GDYSFAHJGOVSNC-ZACQAIPSSA-N 431.518 0.392 30 10 ICEE CCN(CC)CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1253948338 CRJOBTKGHFGKOO-RAJOGRCSSA-N 426.539 0.260 30 10 ICEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1289207060 SNMQHAITDYNLOC-XUWXXGDYSA-N 425.532 0.437 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300499029 OSAMGOIYNSUDIY-PLMTUMEDSA-N 445.545 0.431 30 10 ICEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1300756203 IIMCOMCLYMNTQR-UHFFFAOYSA-N 437.529 0.837 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC1 1302924576 PFGLUBQDQYJJPY-UHFFFAOYSA-N 436.534 0.693 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1358994405 MTVJRIRIMSKSKM-IBGZPJMESA-N 442.545 0.826 30 10 ICEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456612655 ISEPYWNGMCNOON-BXTJHSDWSA-N 439.534 0.799 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 1475623284 XWBDLSVADSIPMK-UHFFFAOYSA-N 436.353 0.531 30 10 ICEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1507631667 FUWLVQDCJMZWCI-WBVHZDCISA-N 440.591 0.997 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1508145599 NFRZQCSOFZSSIB-HUUCEWRRSA-N 432.568 0.254 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1511975212 GHZJWNOXRFUFAT-XCGNWRKASA-N 440.504 0.936 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1539453664 OMYAHVXVDXYVSF-UHFFFAOYSA-N 445.593 0.691 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC1 1539476840 FNFYVLQYIRPIEC-INIZCTEOSA-N 429.525 0.063 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC1 1539476841 FNFYVLQYIRPIEC-MRXNPFEDSA-N 429.525 0.063 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1540864584 FNHFQXRVWYFJQN-UHFFFAOYSA-N 448.549 0.774 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 1558072818 FFYKUSLFCHRTRI-UHFFFAOYSA-N 438.307 0.618 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588049120 AMYGXUZOCKRNLE-HUUCEWRRSA-N 440.476 0.730 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588055051 RVJWASYHUQVTRQ-ZWKOTPCHSA-N 443.529 0.556 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1588138428 CLULUBUMUBFCBA-KRWDZBQOSA-N 437.566 0.747 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595838437 SKQPPUKOYWQGJP-RBSFLKMASA-N 428.511 0.091 30 10 ICEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 1606788478 NSAWELZXFQVAAQ-CRAIPNDOSA-N 425.468 0.923 30 10 ICEE Cn1cc(I)c(=O)n(CC#CCN2C(=O)c3ccccc3C2=O)c1=O 1613676938 HPAXWRAKFCJADD-UHFFFAOYSA-N 449.204 0.451 30 10 ICEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC23COCCN2CCOC3)C1 1630897566 JYMNFMMMJZEQJA-UHFFFAOYSA-N 435.322 0.974 30 10 ICEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CC[C@H](O)C2)cc1 1632508338 BBCOAXUIJNVYDM-KRWDZBQOSA-N 428.514 0.608 30 10 ICEE COC(=O)CCN(CC#N)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1654553102 KXUSAIOPOZYFDD-QGZVFWFLSA-N 436.534 0.605 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 1678865610 VZPSTGWIZJYFID-UHFFFAOYSA-N 436.321 0.562 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1690005242 XGHMIVSQJXQPLL-UHFFFAOYSA-N 431.518 0.927 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705571089 WPMOUISJOUXPPU-GHTZIAJQSA-N 445.545 0.696 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706587941 UGLCUUBSXXWAMG-HFUDNHEJSA-N 431.497 0.415 30 10 ICEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)NC1CC1 1722640354 LXZLCQOXFJNLEC-HNNXBMFYSA-N 426.543 0.292 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722697103 WARNQCQIIRLAMZ-UHFFFAOYSA-N 425.537 0.894 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCC3)C1 1740973478 YCMFROJAHJPPKV-UONOGXRCSA-N 436.542 0.256 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1748671951 OOKMYPWONVHYJY-UKRRQHHQSA-N 437.526 0.393 30 10 ICEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1749574711 CTKFHTRHGMHVFJ-INIZCTEOSA-N 441.554 0.331 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1750075573 GBAPDOMZXLRWIB-RDJZCZTQSA-N 433.538 0.845 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760189093 NILUVUHWLGNZKE-KXBFYZLASA-N 432.506 0.167 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1760209808 IADQUFORLQBRGD-CQSZACIVSA-N 434.488 0.845 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760522441 TVIQVIWZPGQCCJ-AWEZNQCLSA-N 444.458 0.979 30 10 ICEE CN(Cc1ccoc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1767147981 CLEVWOLDBDFNKK-STGLLQLASA-N 425.449 0.985 30 10 ICEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267875123 DMYMEBCFHRMVPX-UHFFFAOYSA-N 448.329 0.924 30 10 ICEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 111048202 LAEQTZSKEAHOQF-QGZVFWFLSA-N 439.559 0.532 30 10 ICEE N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 507529524 LXJPMCJNRRZRRK-UHFFFAOYSA-N 440.503 0.835 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668575 NYJTXALTECQHKU-UHFFFAOYSA-N 445.504 0.812 30 10 ICEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731862335 CUZNARMIVZUKNJ-ZPHPHTNESA-N 435.506 0.456 30 10 ICEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 737199065 RTXPQWSHEWYHST-KRWDZBQOSA-N 445.545 0.998 30 10 ICEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741218528 GIRGPHLGVSMPTI-HZSHHLKBSA-N 426.473 0.947 30 10 ICEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 756749384 AGVUSWBIWDHWJG-QXGUJMOYSA-N 439.538 0.949 30 10 ICEE CCO[C@@H]1C[C@@](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)OC)C1(C)C 781842303 UMUVBHKCUOWHFV-FOIQADDNSA-N 437.518 0.978 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 788814295 NBESVQDBZVPIJZ-HSZRJFAPSA-N 435.484 0.885 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)n1 788860145 NNXRJKKVXCTJRI-UHFFFAOYSA-N 425.555 0.879 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1286379919 DXKUGLZCTHULDT-MRXNPFEDSA-N 425.555 0.858 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1286553501 FFXRMQZCUORZCD-GJYPPUQNSA-N 432.525 0.505 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C)C1CC1 1286736925 JKGZCVCHBNIPMH-KRWDZBQOSA-N 435.554 0.856 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286778850 KOTIJMGQBFWUAY-IERDGZPVSA-N 432.525 0.591 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300496068 NMRAEWRWWMWDHA-GJZGRUSLSA-N 449.499 0.903 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCOCC2)CC1 1300719648 KHBUJYJUCNUCAY-UHFFFAOYSA-N 425.493 0.242 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1301477682 CXHKPXRRBLILOQ-CYBMUJFWSA-N 436.513 0.892 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301499146 YPFJNUTWYFGVJK-NEPJUHHUSA-N 443.430 0.036 30 10 ICEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301595541 VVTVWQGSMHLVCD-HNNXBMFYSA-N 449.581 0.263 30 10 ICEE CN(C)S(=O)(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)n(C)c1 1306893693 ZUYUAFGQOBXWHM-UHFFFAOYSA-N 434.474 0.793 30 10 ICEE CC(C)(C)OC(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1308129261 YGKISXPQOJMXOL-CVEARBPZSA-N 439.538 0.361 30 10 ICEE CO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315694969 YFZUCDYTVBBSEV-UHHPSXQGSA-N 443.508 0.656 30 10 ICEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC(C)C 1358941467 LFLWXLLGTQRJCH-UHFFFAOYSA-N 439.563 0.746 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359330953 HWIZFXOJIFKPTP-AWEZNQCLSA-N 440.551 0.349 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)CCOC1 1360333701 KKTIPYHUYXABER-IBGZPJMESA-N 440.570 0.998 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1507656416 HMBNTPPJHSKKDG-KRWDZBQOSA-N 430.472 0.578 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508144801 HEIXSNGVLBIIJM-UHFFFAOYSA-N 433.600 0.692 30 10 ICEE Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511882276 VVTZKCWMKSGIMP-SKQREZPOSA-N 429.525 0.662 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517355340 SXLFYIAGUKOQBX-QFPXGYFVSA-N 443.508 0.656 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1539300662 WSDMXUBUDDMHKC-JOCHJYFZSA-N 429.521 0.675 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOCCS(C)(=O)=O)CC1 1539466575 CFHXDMXNAOIQDU-UHFFFAOYSA-N 425.555 0.429 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1540861780 GKXKOTVMCQQYCU-MRXNPFEDSA-N 426.525 0.619 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1540871663 QJCXJYHGWGZYDV-JKSUJKDBSA-N 425.555 0.734 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540903373 CFDUVNCDRLMCIP-HZPDHXFCSA-N 433.490 0.979 30 10 ICEE COCCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1556907962 FFYWGEWBSNFRKB-UHFFFAOYSA-N 436.534 0.607 30 10 ICEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594784010 ODVGHPJGIYXSFS-WMZOPIPTSA-N 446.552 0.896 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595569366 FYTQEEUFGQIDEL-ROUUACIJSA-N 445.568 0.250 30 10 ICEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1596393610 XTJRMJDTXFXVCE-UHFFFAOYSA-N 430.573 0.598 30 10 ICEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1618521570 OCYCQFMDVGCSJR-UHOSZYNNSA-N 444.488 0.636 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1623498980 LNZWBZPVBLPADX-GBXCKJPGSA-N 438.528 0.929 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 1632960170 CARVJPJYSOQWET-KRWDZBQOSA-N 427.571 0.066 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 1644282033 QMTOGBMJTZNQIP-UHFFFAOYSA-N 435.487 0.944 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 1644282081 SQLUTSOEQLZRQD-UHFFFAOYSA-N 447.517 0.680 30 10 ICEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1647851281 YCYWCEWPRYVBKC-UHFFFAOYSA-N 438.506 0.399 30 10 ICEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc21 1648786937 DCWSLXKDJFVQGZ-UHFFFAOYSA-N 429.458 0.230 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1689978145 NQVBOJBEZXRAEW-CQSZACIVSA-N 449.537 0.231 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(OCCOC)CCOCC2)CC1 1690120020 CARKBWCJUFSBIB-UHFFFAOYSA-N 441.536 0.703 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(-n3cncn3)nc2)CC1 1690152450 LRAVKNDCFHVCID-UHFFFAOYSA-N 449.519 0.804 30 10 ICEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705509586 IAEWISGFQPOODJ-ROUUACIJSA-N 438.598 0.850 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 1705781199 SDHGGDBOTPDWGH-AWEZNQCLSA-N 446.599 0.326 30 10 ICEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705805888 QXQSOFBJGXTHFY-JKSUJKDBSA-N 440.570 0.634 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1712502888 ZDBUAVXVORNOFN-UHFFFAOYSA-N 439.520 0.884 30 10 ICEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)C 1722517761 NNYBIDNEOAHVAQ-MRXNPFEDSA-N 442.586 0.786 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622481 DFDWTODQPIQBAM-ZMMAXQRCSA-N 449.577 0.917 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740629023 YUQHENYCOKTRHT-NZEHOUKNSA-N 438.550 0.686 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740642638 YOJROEUOBSHKID-MRXNPFEDSA-N 438.454 0.736 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1740951916 QCQLZYSJNCPFIL-CQSZACIVSA-N 431.522 0.699 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)CC1 1748989937 DRNSNRYQQKELOD-SFHVURJKSA-N 429.569 0.220 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)Cc1ccon1 1749065135 UTVJCXQKHAOIIT-HNAYVOBHSA-N 447.521 0.329 30 10 ICEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1749575211 NVPQRRBPUNAYPI-SFHVURJKSA-N 436.582 0.523 30 10 ICEE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1751982551 JMTDCBQGCMMKHT-NFSBEEMKSA-N 443.508 0.713 30 10 ICEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760280321 OPQMHNQLXQPJBA-UHFFFAOYSA-N 428.566 0.748 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)[C@@H]1CCOC1 1766994945 QZQHWVXWVBPQKT-MRXNPFEDSA-N 434.522 0.893 30 10 ICEE CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771367800 HSRQUZMCXFZQFZ-UHFFFAOYSA-N 430.538 0.373 30 10 ICEE O=C1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1771571429 JFTKTYSHQFSLIR-VHEBQXMUSA-N 441.517 0.783 30 10 ICEE CC(C)c1ccc(CC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856861073 KRRDVRHFRCRVHF-IBGZPJMESA-N 432.546 0.951 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631578 AWPJUNGTXZFFQZ-OCCSQVGLSA-N 436.318 0.667 30 10 ICEE C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255949762 AFHKTRDPMBHCKW-HNNXBMFYSA-N 449.386 0.913 30 10 ICEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 427664005 GRTGSOKJTONNBJ-HOTGVXAUSA-N 436.468 0.992 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC1 431617993 DTFBITVANGGDKP-UHFFFAOYSA-N 436.601 0.243 30 10 ICEE C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474846397 VCSPWBXXZRWKHE-CQSZACIVSA-N 428.536 0.397 30 10 ICEE CN(CC(=O)N1CCOCC1)C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 502851487 NFWHNTDPMJQMDL-UHFFFAOYSA-N 447.289 0.953 30 10 ICEE N#Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)n1 545462796 OHRTWJXFNBMIEK-UHFFFAOYSA-N 441.513 0.937 30 10 ICEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 611547554 LTOKEWISOBYFEK-UHFFFAOYSA-N 434.522 0.254 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)c1cc[nH]n1 772247009 QFHPNTUBCNALMN-UHFFFAOYSA-N 448.524 0.096 30 10 ICEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c(C)n1 781657822 NZEYWTUIADOAEW-UHFFFAOYSA-N 440.525 0.627 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 800778061 YTKZWIQNALXTHQ-LBPRGKRZSA-N 429.934 0.820 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)ccc1F 1151962217 XTPQOPALNMJSJA-INIZCTEOSA-N 425.482 0.800 30 10 ICEE C#CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1153261973 FJTOTQSDJZLHKA-QGZVFWFLSA-N 442.559 0.145 30 10 ICEE N#Cc1cc2c(nc1OCC(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)CCCCC2 1166705276 CHQFOQRVBPDTSQ-SFHVURJKSA-N 432.546 0.932 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 1175514674 DCHHOLFSWOZYQA-UHFFFAOYSA-N 442.423 0.512 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C(=O)OC)[C@@H](C(=O)OC)C3)ccc2c1=O 1184460858 QNFVEUBHLLCBFE-KBPBESRZSA-N 431.470 0.905 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286386778 HHEWGKADOLXBFM-INIZCTEOSA-N 449.558 0.544 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1286487136 DFQYQDMLADRLFJ-RBUKOAKNSA-N 448.593 0.757 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1296328935 GNXLSGWJPVGFQZ-INIZCTEOSA-N 431.522 0.471 30 10 ICEE CNC(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1299263095 KMVQZQHLDQGASP-ZNMIVQPWSA-N 433.513 0.914 30 10 ICEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnnn1CC1CC1)[C@H]1CCS(=O)(=O)C1 1300484090 OGNMTALHTFYWIJ-HNNXBMFYSA-N 432.554 0.647 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300492604 NVAXKIGEGDURIP-QGZVFWFLSA-N 428.522 0.282 30 10 ICEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1303003730 JSLDMFDZEBPJKI-HOCLYGCPSA-N 427.440 0.725 30 10 ICEE CC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1N1CCOCC1 1306396632 JAJNBLTWEQUSLW-GPASRXLFSA-N 429.525 0.660 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1314673989 DNRHVRYYQJYWTC-MRXNPFEDSA-N 445.549 0.800 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1 1358876735 PJSJBWNRMFVPKW-IERDGZPVSA-N 446.577 0.720 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1358949244 WOIMUTVJWMFZRP-SFHVURJKSA-N 432.550 0.817 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359292120 IPBKHSABGVOVJF-IPYPFGDCSA-N 426.543 0.194 30 10 ICEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359293707 XQGOBSYBNSOZAL-UHFFFAOYSA-N 425.540 0.165 30 10 ICEE O=C1C=COC2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)C1 1460854010 BLQGYDPIEVYMEA-UHFFFAOYSA-N 433.530 0.857 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2cccnc2)c1 1471076151 MKHWFECTEQRCOQ-ZWKOTPCHSA-N 433.486 0.941 30 10 ICEE C=CCNC(=O)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1508099449 XQIWQTQGBHDAAM-OAQYLSRUSA-N 434.541 0.681 30 10 ICEE CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508329544 WYKUTUFIUUFLIL-SAZZCXPWSA-N 443.508 0.761 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1512360737 SLIFVFCGPRUGFJ-CJNGLKHVSA-N 436.476 0.472 30 10 ICEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1521069648 QEUOXNIHVWBADR-IIBYNOLFSA-N 441.467 0.835 30 10 ICEE C#CCN1CCC(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1537529145 KHRHYCYBLLQCEL-QGZVFWFLSA-N 427.567 0.872 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1539266131 MHMFOGXCGZWKNF-QGZVFWFLSA-N 440.508 0.836 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1539266399 PWWXPIRDPVFGQC-KRWDZBQOSA-N 435.550 0.501 30 10 ICEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539489251 JUPZQKYRHOYQSF-HNNXBMFYSA-N 440.595 0.399 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1552378551 COMDWAGLWBIKMD-MRXNPFEDSA-N 432.506 0.755 30 10 ICEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1552409594 ONNDELBDVJSTIC-MRXNPFEDSA-N 434.522 0.893 30 10 ICEE COC(=O)c1cn(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nn1 1556577704 NQNMJOZHUHXCKU-UHFFFAOYSA-N 433.266 0.951 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1595570062 VZRGYUUVLQIIJX-UHFFFAOYSA-N 442.524 0.952 30 10 ICEE C[C@H]1Cc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc2N1S(C)(=O)=O 1607488044 DYQZAKLHDVZANQ-NSHDSACASA-N 429.458 0.228 30 10 ICEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1620357150 SDMXDURRODATAG-ZIAGYGMSSA-N 427.431 0.985 30 10 ICEE C[C@]12CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1620643377 FJEURGPAZTWYPA-HFSMHLIXSA-N 434.537 0.901 30 10 ICEE N#CCC(=O)N1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 1658693913 PMYMHOAXCNAZJT-VBKFSLOCSA-N 442.501 0.292 30 10 ICEE C#CCN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1683734375 IPVGLGPASDTNAQ-SFHVURJKSA-N 439.559 0.253 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689993691 JPDCJGMRFWHQCA-SJLPKXTDSA-N 448.593 0.510 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1690674880 IWURNFWQXYRGTF-HXUWFJFHSA-N 446.533 0.568 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1698317166 IAVLTRFXFWRPER-MRXNPFEDSA-N 445.505 0.397 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)CC1 1705635420 YMIAIEUOCMYDMF-JOCHJYFZSA-N 433.553 0.617 30 10 ICEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1710980393 CLXDAXVQRRIWNF-UHFFFAOYSA-N 445.549 0.813 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1722297109 XOZXQCXLTXISLF-ULQDDVLXSA-N 447.565 0.843 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1722426977 PBZDOHFBDQDWQH-MRXNPFEDSA-N 427.596 0.315 30 10 ICEE CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1731006897 DHPHEXLWAHZIJE-UHFFFAOYSA-N 426.506 0.911 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1740630200 GQSRGTVBZJKGDX-QZTJIDSGSA-N 436.582 0.318 30 10 ICEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740716016 RXSSJBHRIDSUJG-OAHLLOKOSA-N 425.518 0.162 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1748817467 KYXRQLXPCIRUIG-LSDHHAIUSA-N 434.522 0.597 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1748941142 YPBIFGUPENYQEV-CQSZACIVSA-N 446.512 0.844 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760190254 ZGTDCDUHMSPLIS-XHSDSOJGSA-N 437.591 0.999 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)C(C)(C)C)CC1 1760261502 RZCRWTMRQODCAH-UHFFFAOYSA-N 436.582 0.369 30 10 ICEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1768495356 CTDKDNPJSVXILZ-GOSISDBHSA-N 438.485 0.953 30 10 ICEE C=CCN1C[C@H](C(=O)N2C(=O)CN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)CC1=O 1857264626 ICLSUQUSUGXBIX-JKSUJKDBSA-N 431.514 0.835 30 10 ICEE CC(C)(C)OC(=O)NC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1 2256066568 DTLFKIJYOHZQHC-UHFFFAOYSA-N 434.302 0.799 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 471649048 NNDMGNJNBFRWNI-SFHVURJKSA-N 430.427 0.065 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477825109 NBFKZJJKQQUWOW-INIZCTEOSA-N 447.561 0.286 30 10 ICEE CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542218640 RSEKQUVZUVGRDZ-UHFFFAOYSA-N 429.527 0.443 30 10 ICEE Cc1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1S(=O)(=O)NCC#N 546736657 LWXDLIDCOBOJTQ-UHFFFAOYSA-N 440.547 0.483 30 10 ICEE CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(OC)cc(C)n2)c1=O 561781879 IPDOCUMJWBSVFC-AWEZNQCLSA-N 430.530 0.686 30 10 ICEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c(F)c1 586863910 DNENFBJRXVBARV-UHFFFAOYSA-N 437.475 0.774 30 10 ICEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cs1 590932737 BSDLOPCIYKCBOF-UHFFFAOYSA-N 447.586 0.035 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603800507 WNZJGQVKSUCNBM-QGZVFWFLSA-N 427.526 0.745 30 10 ICEE N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 732910656 RMSOSBPMPJNSPH-XHDPSFHLSA-N 425.413 0.284 30 10 ICEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CCN1CCOCC1 783942598 KZMWUYICRLZMGE-UHFFFAOYSA-N 445.888 0.830 30 10 ICEE N#C[C@H](C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1nc2ccccc2s1 917054612 JLYJVWXFPCBPND-MRXNPFEDSA-N 427.530 0.949 30 10 ICEE Cc1oc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(=O)(=O)N1CCCC1 1134056547 QRFVNMWPLGRBBQ-GUYCJALGSA-N 427.504 0.383 30 10 ICEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2=O 1134424701 USFBQNXSPALVAO-AFHBHXEDSA-N 436.534 0.520 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(O)CCS(=O)(=O)CC3)C2)C1 1140607915 ATLRPEKDXPFFKP-HVEKOLDVSA-N 441.550 0.829 30 10 ICEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(Nc2ccccc2C#N)CC1 1168606674 VNPMJLLTINLPQW-UHFFFAOYSA-N 435.550 0.795 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1286389353 IMSQNOPDEPMDRS-GJZGRUSLSA-N 448.505 0.039 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC=C)CC1 1286490892 WCTHXAPVGVNCQZ-UHFFFAOYSA-N 443.533 0.302 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1286609327 ZWCKQFPRLULBHZ-IAGOWNOFSA-N 443.570 0.819 30 10 ICEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1288724884 FMWUVSKYRVIEKB-HNNXBMFYSA-N 446.533 0.545 30 10 ICEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(S(C)(=O)=O)cc1 1300471716 MAKPQFLOQSHPID-UHFFFAOYSA-N 431.518 0.952 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300485663 XZOXQPOSSMXUGV-CVEARBPZSA-N 428.580 0.996 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1300952525 XJGKPMJPMZRMRJ-HNNXBMFYSA-N 438.554 0.294 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1301593901 XGLPYMOXJWGMDW-CALCHBBNSA-N 438.554 0.591 30 10 ICEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301609303 GXHUUPJCAHDKCC-INIZCTEOSA-N 433.582 0.549 30 10 ICEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1301960459 HZXVOAVBGAIWKT-UHFFFAOYSA-N 441.536 0.472 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C2CC2)CC1 1359044969 SWLRFTWQVVQGLM-GOSISDBHSA-N 427.553 0.679 30 10 ICEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359206684 MNBYIULNMOPIEP-HRAATJIYSA-N 432.525 0.434 30 10 ICEE C#C[C@H]1CCCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1452477775 SBVYKTOMDLJALT-INIZCTEOSA-N 447.536 0.819 30 10 ICEE N#Cc1ccc(N2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)cn1 1471386180 CRWNKLYIRAZMBL-UHFFFAOYSA-N 437.382 0.810 30 10 ICEE Cn1nncc1C1(O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1471496826 MZQRIUWANQJRRS-UHFFFAOYSA-N 432.506 0.144 30 10 ICEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNS(=O)(=O)CC 1499145061 BXAHLDOGKYCOIZ-UHFFFAOYSA-N 432.554 0.763 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1507623066 QLJLDOPDTQLWTO-ZDUSSCGKSA-N 444.355 0.952 30 10 ICEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1507962069 MGGVWWAPOMMHDQ-UHFFFAOYSA-N 446.508 0.894 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508137677 PYCVXVPCOZNLRS-GDBMZVCRSA-N 435.506 0.301 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1539416606 QCRHGEGXQISJCG-HNNXBMFYSA-N 425.511 0.109 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539482090 RCOIVMAIDHYTFA-HTAPYJJXSA-N 428.537 0.616 30 10 ICEE CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541661861 QRQWLIYVZHOASE-VUANCPLDSA-N 443.508 0.560 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCNS(C)(=O)=O 1544581973 CSTCCZTVUANLMQ-CQSZACIVSA-N 445.553 0.472 30 10 ICEE C#C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1556794494 JKPBDHMVAIVVOQ-TZMCWYRMSA-N 435.365 0.959 30 10 ICEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1557599539 BQYPLHIHKHIOLI-MRXNPFEDSA-N 429.502 0.797 30 10 ICEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1588055436 VXDYNRGVMMGGDW-DLBZAZTESA-N 430.534 0.750 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 1588199076 HFGODXFTRUFVPN-NRFANRHFSA-N 448.545 0.647 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 1588811350 HJPFEKAXRBPSHU-AWEZNQCLSA-N 435.579 0.398 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1595544383 HGRKSNCOZUIECZ-QGZVFWFLSA-N 426.525 0.899 30 10 ICEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1645991128 LRSSBZVBIXVAKZ-MGPUTAFESA-N 433.486 0.171 30 10 ICEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1669565686 VXQQSGSJDQPJGN-UHFFFAOYSA-N 449.577 0.993 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1681591492 JCWDZVHKKBFCDK-UHFFFAOYSA-N 433.534 0.152 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689993690 JPDCJGMRFWHQCA-FUHWJXTLSA-N 448.593 0.510 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1690246706 WKVJZVZYLKARAM-LZWOXQAQSA-N 426.543 0.196 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1690659206 MOGWNGLJANLISH-UHFFFAOYSA-N 443.556 0.559 30 10 ICEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1693920235 ZCIZFBNOZOWSFJ-ORIGZDJFSA-N 445.549 0.869 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1705597526 IFSYBIWQBPXEPN-MOPGFXCFSA-N 448.593 0.558 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCC)CC1 1705633358 PBNWPZQFQPDNIW-MSOLQXFVSA-N 437.614 0.518 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705638187 BLWABSOYYFCNAN-FHWLQOOXSA-N 429.569 0.484 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705934284 HWLPBQUNNLXFJI-VCBZYWHSSA-N 439.538 0.214 30 10 ICEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705946685 OAEKMWOZRCNEFN-OWCLPIDISA-N 445.611 0.737 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C2COC2)nn1 1740646031 OXLRAWVKLKNVBW-UHFFFAOYSA-N 431.460 0.599 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nccnc2C)CC1 1740704893 VSIHOXIBVXZDNX-UHFFFAOYSA-N 433.520 0.986 30 10 ICEE COCCN1C[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1=O 1749864615 CMPSNSMMYMCXJY-NTDBWNAOSA-N 448.524 0.226 30 10 ICEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)CCOC1 1750059842 CJSQIHAZMRKHQH-QAPCUYQASA-N 428.559 0.806 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760190247 ZGTDCDUHMSPLIS-JYJNAYRXSA-N 437.591 0.999 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760527170 OELHNFOHMAGYRS-UHFFFAOYSA-N 449.519 0.296 30 10 ICEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1760648442 HSKKXUMAGDDFEP-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOCC1 1869933319 CXUUHWNTBVLLLO-INIZCTEOSA-N 440.591 0.685 30 10 ICEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620185 XCCGXTKOZUALIT-CHWSQXEVSA-N 436.318 0.809 30 10 ICEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2255747808 RKTPQKQNBGTJKI-UHFFFAOYSA-N 447.370 0.619 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2267597008 NXQGHUJLSBQVLX-CYBMUJFWSA-N 446.317 0.699 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N(CC)CC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2C1=O 512624212 JCUPGGZPKUWKJR-CQSZACIVSA-N 433.486 0.234 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC)CC1 555114637 HVXWZZNONWKCBF-UHFFFAOYSA-N 439.568 0.896 30 10 ICEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732666161 JMKVQUSBAZXQAY-OXQOHEQNSA-N 431.518 0.487 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763436345 IIYUTWAEDNXCFF-INIZCTEOSA-N 436.537 0.951 30 10 ICEE O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCc2ccccc21 918872053 BAXOIEZPCUYMRD-UHFFFAOYSA-N 442.497 0.447 30 10 ICEE CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 1163096486 HBIZAZPOIZTJIC-YJBOKZPZSA-N 436.534 0.615 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1286360684 IMQRSMZKTQQXFW-ZDUSSCGKSA-N 442.542 0.251 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1300480216 ZYOXRFYVJQJWRN-AEFFLSMTSA-N 448.593 0.527 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300492899 PNIRWKRYFSWSJX-RDJZCZTQSA-N 429.502 0.610 30 10 ICEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1300541347 SKMODSUNHQOPLS-UHFFFAOYSA-N 444.586 0.715 30 10 ICEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1301424323 JEKWWJDGLUNRAL-HNNXBMFYSA-N 429.543 0.286 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(N(C)C)CCOCC3)CC2)c1C#N 1304730509 GISLUKVEHGWQLV-UHFFFAOYSA-N 427.557 0.938 30 10 ICEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316348365 BISWUOFKLUAZSX-INIZCTEOSA-N 431.522 0.420 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 1318629192 VHXDQJZGKIAPPO-UHFFFAOYSA-N 448.526 0.812 30 10 ICEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1350495019 CGEAJXKURLSJKI-MRXNPFEDSA-N 437.518 0.521 30 10 ICEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1359027061 UQGKZJGKFRIQKY-GOSISDBHSA-N 440.552 0.889 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1359030701 CEPMAJXKRIOTNZ-HSZRJFAPSA-N 446.596 0.796 30 10 ICEE CC(C)n1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1I 1470360732 KAEUHBWVLOFVEY-UHFFFAOYSA-N 442.217 0.633 30 10 ICEE CSc1cccc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c1 1472370063 BJGCDPLHRQUUHU-LBPRGKRZSA-N 425.470 0.979 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507724937 MMMVMXOPXNZFMF-UHFFFAOYSA-N 439.545 0.886 30 10 ICEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CCC(CO)CC1 1556022258 DBZVODYBYMNAOU-QZQOTICOSA-N 437.504 0.999 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1Cc2ccccc2OCC1=O 1558299506 FACWHUMPXPTBBV-UHFFFAOYSA-N 442.497 0.653 30 10 ICEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1587909351 JHQMMOFLVQLQHL-JYJNAYRXSA-N 426.587 0.846 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CC(N)=O)C1 1595812109 NIMYRVQTZKYPGK-QGZVFWFLSA-N 432.550 0.957 30 10 ICEE N#CC1(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 1657656983 JPOPETILAWDYQS-OAHLLOKOSA-N 434.518 0.769 30 10 ICEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCS(=O)(=O)c1cccc(C#N)c1 1659462074 IWSMXYVBMYAZJZ-FQEVSTJZSA-N 439.534 0.920 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1662998700 FVWZVVIWYNGBIU-QGZVFWFLSA-N 446.547 0.544 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690301874 ZZIOMXOYIOJVIG-RRFJBIMHSA-N 426.543 0.196 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690663250 QVZPROQZJXPDIM-UHFFFAOYSA-N 430.472 0.775 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1705510491 QOTZJEXWVKSOKW-GDBMZVCRSA-N 426.543 0.033 30 10 ICEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705946925 VCULTFCPSJXRKO-KGLIPLIRSA-N 434.609 0.723 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722372249 SGIUTRDPENPMGL-QZTJIDSGSA-N 448.593 0.369 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nncn2C)CC1 1722440464 HKVRWBCGVGOFIJ-UHFFFAOYSA-N 448.491 0.068 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1722617778 MGLPCVWJQRDBTR-LSDHHAIUSA-N 427.527 0.577 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722693383 LXFLBVGGOIDQBH-CALCHBBNSA-N 445.476 0.835 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722698405 YUDHCGDIFFHNTL-INIZCTEOSA-N 447.565 0.590 30 10 ICEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740594395 KXUMCVHIGCYOSF-UHFFFAOYSA-N 427.553 0.558 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1740657791 YNFOLYQNMDCKQH-DBXWQHBBSA-N 432.546 0.981 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740955542 XDVYJQQTMHSFDI-INIZCTEOSA-N 442.476 0.317 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1741929901 BXCDYODHBJUSBG-TXPKVOOTSA-N 439.586 0.739 30 10 ICEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CC1=O 1749860752 ABLDCUQXPSIMGJ-KRWDZBQOSA-N 437.504 0.638 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760259827 HNICEWBYGCRCDM-KRWDZBQOSA-N 427.553 0.633 30 10 ICEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760526579 CJMMWXHATIBRTJ-MRXNPFEDSA-N 431.541 0.396 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1767707235 HHOUSNIGVQORTO-SFHVURJKSA-N 440.504 0.700 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2255692392 BORBTPSEKVVTKH-ITGUQSILSA-N 433.318 0.709 30 10 ICEE Cc1ccc(/C=N/Nc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2N)cc1 20917739 RDUUVFNENUPEKU-AWQFTUOYSA-N 440.493 0.182 30 10 ICEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 471921621 DPEAVCIOFUFPML-OAHLLOKOSA-N 429.296 0.943 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(c3ncc[nH]3)CC2)CC1 531427465 VEKPFUHTDOCLGG-UHFFFAOYSA-N 442.545 0.994 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 669818511 CREDMVQNLZAFTO-AVGNSLFASA-N 439.460 0.953 30 10 ICEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 749093618 DSJLNNRKNCWFES-MWDXBVQZSA-N 434.470 0.163 30 10 ICEE C[C@@H](C(=O)NS(=O)(=O)c1ccc(I)cc1)n1cnc(C#N)n1 798853803 SZGZUPCGWFZOLP-QMMMGPOBSA-N 431.215 0.820 30 10 ICEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802584296 CPOZAHCEDHISBC-QWQRMKEZSA-N 427.527 0.480 30 10 ICEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C1CCOCC1 1131468238 BPFWEONBHBIPHY-FQEVSTJZSA-N 433.530 0.698 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@]4(C(=O)OC)CCOC4)CC3)cc2C1=O 1167318308 TXHDVRJBOXZAHV-QFIPXVFZSA-N 427.457 0.559 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1295456705 NMQJSXYCJMQHKM-UHFFFAOYSA-N 436.577 0.472 30 10 ICEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C(N)=O)nc1 1297279510 HCVJGXUANNHVPV-UHFFFAOYSA-N 447.503 0.950 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1300690598 OFIDZZPEPASBSB-UHFFFAOYSA-N 433.516 0.854 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 1302921820 USTXBHRITSUOGJ-UHFFFAOYSA-N 432.424 0.047 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(C)C 1303403879 JZLKTIQRUFMXER-MRXNPFEDSA-N 425.541 0.960 30 10 ICEE COCCN(C(=O)CN1CC(C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307730967 CCRAEPCJMAFGHV-UHFFFAOYSA-N 426.477 0.404 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358965726 AAQZOSFJGBXEFP-HUUCEWRRSA-N 427.502 0.012 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1359025273 JCEADDRZHGMMOR-GOSISDBHSA-N 449.533 0.451 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359326565 CYXHIOCUQHNKGQ-JKSUJKDBSA-N 426.587 0.936 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359333291 SXLYIISDGZKZLX-FRQCXROJSA-N 426.539 0.767 30 10 ICEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C[C@@H](C)O1 1479157994 GBCOSVMEVVMUNZ-QINHECLXSA-N 447.561 0.707 30 10 ICEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507640983 XGLXKEQAHMRJLT-KRWDZBQOSA-N 445.545 0.880 30 10 ICEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)C2CCCCC2)CC1 1507727874 UTYULLCXOGRUOR-UHFFFAOYSA-N 441.580 0.947 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507742166 BTZMZCSIGWOPHM-LJQANCHMSA-N 443.596 0.749 30 10 ICEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507756534 NZOJECDDNSYHIW-QGZVFWFLSA-N 439.545 0.834 30 10 ICEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1517354358 UHUBTYGIMZGGFA-OFGXNVERSA-N 429.481 0.371 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540873305 UIAKYTUBPVBQHU-HNNXBMFYSA-N 438.579 0.949 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 1542111492 HOJJTHVDDFQYMQ-LJQANCHMSA-N 438.459 0.807 30 10 ICEE CS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1555818958 HJFIGTKSWYCGCQ-QGZVFWFLSA-N 426.449 0.987 30 10 ICEE COC(=O)[C@H](CCC1OCCO1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558043909 RXEACTQNZKWKMM-JSGCOSHPSA-N 439.490 0.315 30 10 ICEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCN(O)C3=O)c2)CC1 1569560763 MGTMTOGFHDKZGK-HNNXBMFYSA-N 430.914 0.386 30 10 ICEE C=C(C)COCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769316 MNVKPDHPJSIRSF-LAUBAEHRSA-N 437.541 0.863 30 10 ICEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1635700621 BZAMDYHIWBFKMJ-KRWDZBQOSA-N 428.489 0.871 30 10 ICEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1643948206 KIPXNISKZRHYJU-UHFFFAOYSA-N 438.506 0.399 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1 1684083862 ZUJDNKKUHMIEHJ-HNNXBMFYSA-N 448.574 0.805 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)COC)CC1 1690145973 BYTZFIJBRKILCL-NVXWUHKLSA-N 437.566 0.429 30 10 ICEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1722401316 SRBSDNHWYOKBRZ-UHFFFAOYSA-N 434.547 0.282 30 10 ICEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722739119 AFGJIGFGISDBOC-HZPDHXFCSA-N 434.566 0.976 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1740611106 UKTFIZAFBIZXNN-QGZVFWFLSA-N 446.533 0.709 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627942 UDRRKWGOZNYZFR-HZPDHXFCSA-N 435.550 0.454 30 10 ICEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740808925 CKZIDVLBYNESPE-UHFFFAOYSA-N 430.900 0.759 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1749726949 KOLLQGLCFFEUKE-UHFFFAOYSA-N 433.534 0.841 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751018165 LSEOHGXGTYVDRH-UXHICEINSA-N 446.487 0.914 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760189713 VUWHDMJVGZGWDQ-ABSDTBQOSA-N 438.550 0.952 30 10 ICEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1771352008 GPLDTNLUGVWHCC-INIZCTEOSA-N 428.518 0.953 30 10 ICEE CS(=O)(=O)N1CCC[C@H]1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1853319232 GFDKUHHFILJWJY-OALUTQOASA-N 437.518 0.605 30 10 ICEE C=CCN([C@H]1CCN(C(=O)c2cn(C3CCSCC3)nn2)C1=O)[C@@H]1CCN(C)C1=O 1854160666 KEKFRGLELYJHIE-SJORKVTESA-N 432.550 0.806 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)[C@H]4CCCO4)C(=O)C3)C2)cc1 1855847165 FXDAFFWBTOQXOI-FUHWJXTLSA-N 432.502 0.171 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(N(CC)CC)cc1 1865722368 PPYUYFZXHCCISL-INIZCTEOSA-N 439.516 0.927 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255631577 AWPJUNGTXZFFQZ-JSGCOSHPSA-N 436.318 0.667 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255648335 KREXGWVGBSUOEQ-WDEREUQCSA-N 428.220 0.707 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2311709717 ACDMJVXKPLTAOK-GLKFPVFTSA-N 438.330 0.878 30 10 ICEE N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 219944119 KZXYTYQFLKGWBZ-INIZCTEOSA-N 443.485 0.663 30 10 ICEE C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@@H]3C[C@@H]21 257512877 PKJSJCXVCCZASJ-KQHQWVARSA-N 428.441 0.682 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CCO1 409585174 MSIYVPIFNOVVJU-INIZCTEOSA-N 428.898 0.332 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 492290968 PJVQPBDKTKMCCY-INIZCTEOSA-N 428.489 0.257 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 514492337 PYCMPFIOJMUKDW-UKRRQHHQSA-N 433.555 0.804 30 10 ICEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 533138316 ZXFGTEHNJWRYPK-MRXNPFEDSA-N 448.545 0.915 30 10 ICEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)nc1 728860146 MVIFXEINOOGEJG-UHFFFAOYSA-N 447.538 0.922 30 10 ICEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cn1 730144154 HQUAIQOBWOVETR-OAHLLOKOSA-N 437.570 0.427 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 733260085 RZTFFBUCPJTZEM-JOCHJYFZSA-N 447.539 0.706 30 10 ICEE CNS(=O)(=O)CCCOC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 777041159 HOVCFQJCCMAPJU-AWEZNQCLSA-N 431.536 0.622 30 10 ICEE C[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccccc1Br)n1cnc(C#N)n1 798743578 BLDQOOROHCFOFS-JTQLQIEISA-N 435.238 0.771 30 10 ICEE C#CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OC 1161365463 TXTVLDHRKGOUNY-CHWSQXEVSA-N 426.447 0.291 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286353425 WENFNXKOLBLVFF-MSOLQXFVSA-N 447.565 0.201 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1286419589 BBDBVXHLFNMAGF-QZXCRCNTSA-N 425.580 0.652 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286821644 RCWAILLWKKPGKZ-LJQANCHMSA-N 446.577 0.790 30 10 ICEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1297778279 KHQQLNBILDDYCO-HXUWFJFHSA-N 446.533 0.752 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC[C@@H]1NC(=O)NC1=O 1300578808 HGOVHRSGINEXSL-HNNXBMFYSA-N 437.460 0.457 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358967798 SEQKCIDNKXLMDX-NXOAAHMSSA-N 444.529 0.613 30 10 ICEE CO[C@@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS(=O)(=O)C1 1439405481 HQZIWBSDXGHMHT-FZKQIMNGSA-N 425.894 0.884 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 1465040369 WARRIAQZUZZZHI-UHFFFAOYSA-N 433.534 0.848 30 10 ICEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1469700811 XXFOPCFFIUOBGV-MRXNPFEDSA-N 426.473 0.924 30 10 ICEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1503254851 PFOYWLBLVZKOGD-DLBZAZTESA-N 428.518 0.966 30 10 ICEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1503970895 GZQKYLLTNBULHL-ROUUACIJSA-N 437.504 0.635 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507953426 FQUVYTGTGCMFLO-KRWDZBQOSA-N 438.598 0.793 30 10 ICEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1517988349 FODZABWJQUVRFY-MRXNPFEDSA-N 444.492 0.573 30 10 ICEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 1539803695 LPSZJIQTFZNQTC-CQSZACIVSA-N 444.945 0.175 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCCO 1544582571 MWKGECRAKHZRDO-HZPDHXFCSA-N 439.524 0.769 30 10 ICEE C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1633263458 FQOHETAKHITJQR-AWEZNQCLSA-N 445.501 0.970 30 10 ICEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(C(=O)CC#N)CC1 1653646377 SBBUTIDPNYCYEF-CQSZACIVSA-N 437.522 0.330 30 10 ICEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689930015 JICFYIGHIIDMJF-OAHLLOKOSA-N 431.522 0.180 30 10 ICEE CC(C)(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1691313331 HXYRGICSTCSZBD-GJZGRUSLSA-N 442.542 0.155 30 10 ICEE C#CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705539218 MFHKIDJMGXWRRP-QFIPXVFZSA-N 432.569 0.942 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)CC1 1705633064 IMGPTMZGLYBYIT-KRWDZBQOSA-N 438.598 0.850 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1705909438 XKYBXTWEUXCEMS-VGOFRKELSA-N 448.568 0.973 30 10 ICEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1709464106 CEYUDKWLAWLGHP-HRCADAONSA-N 438.554 0.461 30 10 ICEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1712453970 FCMQKUZQRSMZOY-IAGOWNOFSA-N 440.570 0.963 30 10 ICEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1722432967 VUUCVVZFDJWYPE-UHFFFAOYSA-N 429.506 0.201 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC2(C)C)CC1 1722437541 OKFSOAVAYZHRLK-DLBZAZTESA-N 436.582 0.412 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722458751 SBUDYYPOGQDRJP-SJORKVTESA-N 447.609 0.632 30 10 ICEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)C1 1724005210 WFZVZCRVPCLLCA-SFHVURJKSA-N 435.510 0.685 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1740705969 PEILCWNSOFQDBO-QGZVFWFLSA-N 437.504 0.290 30 10 ICEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1741104023 FJDQCHGYBSQSMV-FQEVSTJZSA-N 449.519 0.919 30 10 ICEE CCN(CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1746176843 ODYQGJKZBQGZGT-LPHOPBHVSA-N 442.561 0.981 30 10 ICEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1747352046 IJNMWLPLTNRGGP-OAHLLOKOSA-N 427.513 0.830 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748801545 CNZOZRJFAJTBCV-CYBMUJFWSA-N 433.481 0.672 30 10 ICEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181740 AWAOGJIDJAHFST-HZPDHXFCSA-N 437.566 0.700 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1760516620 ROCTWPZXSYEIGK-CVEARBPZSA-N 439.586 0.255 30 10 ICEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)S(C)(=O)=O 1765211980 CWKVFXCLRMAWQE-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE CS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1771365705 DUXKRCILZJCGLR-KRWDZBQOSA-N 439.473 0.387 30 10 ICEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)nc1 1852496879 JBAXLFNQPQIWNA-GOSISDBHSA-N 427.505 0.646 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)C(=O)C2)C1 1854354831 RRULFVITADEEBH-IRXDYDNUSA-N 432.502 0.029 30 10 ICEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248412434 JWRPSUWEJKZCMX-NSHDSACASA-N 440.331 0.834 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 29153086 HKZFNLKLDGIBOF-UHFFFAOYSA-N 430.477 0.541 30 10 ICEE C=CCn1c(=S)[nH]c2cc(C(=O)NCC(=O)N3CCC[C@H]3C(=O)NC)ccc2c1=O 111063125 NPIOQOSDBCJOSA-HNNXBMFYSA-N 429.502 0.712 30 10 ICEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 502079780 MPEWUNOXNBXMQO-UHFFFAOYSA-N 438.554 0.067 30 10 ICEE COCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)cc1C 558348307 HZSGYHIFRVOYTG-UHFFFAOYSA-N 444.513 0.822 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 604001312 KYZMPZMWBMHLAK-UHFFFAOYSA-N 445.504 0.821 30 10 ICEE CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 619840576 RNIYRAAGCMZMBP-YOEHRIQHSA-N 430.506 0.480 30 10 ICEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 729330669 CSFYYRDDZBGZIH-YWZLYKJASA-N 433.486 0.111 30 10 ICEE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCN/C(O)=C1/N=CC=CC1=O 732153291 GOJGDEPGXPBBAL-MSUUIHNZSA-N 428.417 0.276 30 10 ICEE CCn1c(=O)n(CN2CCN(C3CC3)[C@@H](C#N)C2)c2cc(S(=O)(=O)N(C)C)ccc21 732672807 NJBZIUXENMFJSC-INIZCTEOSA-N 432.550 0.703 30 10 ICEE CCn1nc2c(cc1=O)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 752742986 GZXYYGRCNTYGLX-ZDUSSCGKSA-N 429.502 0.665 30 10 ICEE CCN1CCN(c2cccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)CC1 770745430 GLFGNEUTQSBMIX-FMQUCBEESA-N 440.504 0.410 30 10 ICEE CC(=O)N1CC(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 788349952 ALMOZJCKUHHGED-SFHVURJKSA-N 432.502 0.987 30 10 ICEE CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 807249800 HTWOKZMBHWCLLV-UHFFFAOYSA-N 432.527 0.911 30 10 ICEE CCc1noc(C[C@]2(O)CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 856677423 QTTIPCABVCCSNO-OAQYLSRUSA-N 443.508 0.518 30 10 ICEE C#CCN(C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)[C@@H]1CCS(=O)(=O)C1 918755997 JHAUKCHRNFHSFC-OAHLLOKOSA-N 449.554 0.984 30 10 ICEE C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C(S(C)(=O)=O)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 1083813781 FXCJISJQQJYFKV-UPGTXAOZSA-N 438.542 0.930 30 10 ICEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)n1 1136554243 UCFQHNIXINNXMR-ZDUSSCGKSA-N 449.562 0.866 30 10 ICEE C#CC1(O)CN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1179982825 UYBIVDOTUAQXFJ-INIZCTEOSA-N 426.498 0.929 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1181000249 LKRPQDAZVBCPDQ-UHFFFAOYSA-N 427.461 0.854 30 10 ICEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286391730 FSFVIEPEGAVDJJ-QZTJIDSGSA-N 447.565 0.908 30 10 ICEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1287089676 RDKOBHMETPLHRO-ARFHVFGLSA-N 440.570 0.865 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1300487195 HYJPKLKDMZGILU-HNNXBMFYSA-N 426.506 0.627 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1300537124 AJMBMEBFHRXPMD-CEXWTWQISA-N 449.577 0.745 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1300631089 LAUIJQUQQJIWTO-SJORKVTESA-N 437.566 0.887 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1301474821 IEUAGQJMKAXRQR-AWEZNQCLSA-N 431.522 0.851 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1301492197 ACMAFZMELKVLCL-INIZCTEOSA-N 428.493 0.979 30 10 ICEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1304595938 GOYCTMTVKKDNCL-UHFFFAOYSA-N 434.255 0.362 30 10 ICEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNC(C)=O 1314393408 JDJAVQJNACYYLZ-HNNXBMFYSA-N 427.513 0.718 30 10 ICEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1471129185 XGFATCSXWRMIQW-ZJOUEHCJSA-N 432.546 0.776 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CC1 1507723755 TUWLIYYBEKHAOO-SFHVURJKSA-N 439.495 0.554 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508074120 MJSLFGBIHCUNLO-ZNMIVQPWSA-N 426.543 0.053 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508080649 QFQCDZLHFJNXEF-SJLPKXTDSA-N 428.541 0.528 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508084089 HPDZNVQOUMMXIU-HXUWFJFHSA-N 430.534 0.581 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1508143969 LVJQAELCMNNGDA-UHFFFAOYSA-N 447.565 0.716 30 10 ICEE CN(CCCS(C)(=O)=O)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517304313 MDNQIVUVXGTCTH-VLGSPTGOSA-N 436.538 0.943 30 10 ICEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1518164134 DCKKUXSSVUSBID-KRWDZBQOSA-N 432.506 0.718 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1519317505 FAXFCGUPKREKGB-PLMTUMEDSA-N 434.541 0.984 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540901540 HHSQNKOPJAOPFE-INIZCTEOSA-N 445.549 0.927 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCOCCCO)cc1 1555990526 ILWDVPBAHGZKQH-QGZVFWFLSA-N 442.476 0.769 30 10 ICEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1559899436 HQRUDLXPXNUIOE-HNNXBMFYSA-N 427.910 0.633 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1588174133 QKLUYPADEMMFQY-HXUWFJFHSA-N 435.550 0.209 30 10 ICEE C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1628849791 ORSRLOBXODAADO-LJQANCHMSA-N 449.573 0.924 30 10 ICEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCn1nc(C)oc1=O 1665507882 YTEMJENNMKTURW-UHFFFAOYSA-N 428.511 0.809 30 10 ICEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690309799 KUSBURMIUNPVBQ-BTYIYWSLSA-N 445.524 0.636 30 10 ICEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690731872 SEFXULCGWNOEJY-OAHLLOKOSA-N 442.611 0.951 30 10 ICEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)C1 1695953207 AKYCRWMWEQTPFU-ROUUACIJSA-N 448.549 0.996 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1705897107 GIFCGHAEQLSWAA-HOCLYGCPSA-N 440.570 0.586 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705930937 ZKWNHMDFULGWPD-HNNXBMFYSA-N 438.554 0.769 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1710893005 FWVBMCQHAURZAT-HNNXBMFYSA-N 445.549 0.813 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722462339 MEINFKRPFFGZKQ-ROUUACIJSA-N 432.594 0.924 30 10 ICEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722484909 LACTXASJJCOWDM-GFCCVEGCSA-N 425.331 0.922 30 10 ICEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1722701611 XCMJMPDEOPIFOL-SFHVURJKSA-N 426.521 0.723 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1730947029 UGWKIQHPYAOEGU-GRDNDAEWSA-N 430.506 0.335 30 10 ICEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1731009506 WOCDNBRBHMAWIO-RDJZCZTQSA-N 444.517 0.488 30 10 ICEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740592657 DCGXRHWDVVYMBX-UHFFFAOYSA-N 437.548 0.658 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740995385 JSYYWBCXQCIGAC-LPHOPBHVSA-N 439.538 0.648 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748814980 MHSZCSWWCPRPIV-CVEARBPZSA-N 431.522 0.061 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CNC(C)=O)CC1 1760554233 WKKDTWGRHIDOFW-UHFFFAOYSA-N 433.538 0.688 30 10 ICEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764387943 FZVYIPHMVPZCJU-OAHLLOKOSA-N 432.554 0.830 30 10 ICEE C=CCN(CC=C)c1nc(=NCCN(C)C)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509717 WLNZRTKSRWKPDV-UHFFFAOYSA-N 432.554 0.836 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC(=O)NCc2ccccc2)n1 2247905827 WMNTUVPLGPHFHP-UHFFFAOYSA-N 434.327 0.314 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2247931274 MHRNNBNIUBMAFM-ZIAGYGMSSA-N 442.343 0.770 30 10 ICEE CC(C)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(C(=O)[C@H](O)CO)CC1 208088203 MRLAQOVFEUFISI-QGZVFWFLSA-N 434.346 0.335 30 10 ICEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@H]1CCS(=O)(=O)C1 533428755 BTTOWYRQGFLYSR-OAHLLOKOSA-N 447.517 0.821 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c1 541192700 ZOKACXVKJBLEIE-QGZVFWFLSA-N 431.518 0.805 30 10 ICEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC2)CC1 555490759 CYFORBVJQROLCP-LJQANCHMSA-N 442.568 0.600 30 10 ICEE NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733970888 PEUQMBGZCTVULW-AWEZNQCLSA-N 442.563 0.565 30 10 ICEE COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 749049077 ZRDSORSIAFDXLQ-UHFFFAOYSA-N 437.518 0.842 30 10 ICEE O=C(N1CC(F)(F)C[C@@H]1CO)C(F)(F)C(F)(F)C(=O)N1CC(F)(F)C[C@@H]1CO 781332534 XVEJZUFUZWGCMX-HTQZYQBOSA-N 428.276 0.714 30 10 ICEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NC[C@H](C)C#N)CC1 781945975 WPKAFAHNLSJMKM-CYBMUJFWSA-N 428.536 0.574 30 10 ICEE Cc1cc(O)nc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1155603936 LWMZTMAEGQKZIU-UHFFFAOYSA-N 430.490 0.268 30 10 ICEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)nc1 1178460255 GDYSFAHJGOVSNC-BBWFWOEESA-N 431.518 0.392 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1286325503 YNZFTJRGUAPJNB-IAGOWNOFSA-N 441.554 0.266 30 10 ICEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286399234 CAWQGSKNGBMJDB-ZWOKBUDYSA-N 435.550 0.689 30 10 ICEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286704697 DZWYLFOLKGAGNC-QGZVFWFLSA-N 432.525 0.603 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC)C1CC1 1286738416 UQYCEFCHTCHHMT-OAHLLOKOSA-N 426.543 0.244 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286833222 XHOWXGGXADDGDX-KBPBESRZSA-N 434.609 0.723 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1298101593 HGAAMKCBXXAJRQ-LJQANCHMSA-N 431.522 0.410 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@H](C)CC 1300538012 MTAAGRPEHOIMPW-KURKYZTESA-N 437.566 0.745 30 10 ICEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(C)(=O)=O 1301286702 IRVOYMNDMSLYLE-UHFFFAOYSA-N 427.556 0.410 30 10 ICEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)n1 1304478352 HASHFGLPFDYZIG-KRWDZBQOSA-N 444.565 0.764 30 10 ICEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1315928899 BGHDVPKKFBDYDM-QFBILLFUSA-N 440.504 0.916 30 10 ICEE CS(=O)(=O)CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316345425 PNMRAXATPXNZSG-IAGOWNOFSA-N 449.581 0.621 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1358994063 CWSIVQOEQCSDSB-ROUUACIJSA-N 433.534 0.767 30 10 ICEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359056975 PDWTUNPRJFFTQJ-KRWDZBQOSA-N 448.593 0.712 30 10 ICEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359303724 YTGGWEJGBKENBL-UHFFFAOYSA-N 432.550 0.447 30 10 ICEE CN(C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1)S(C)(=O)=O 1442421349 YNGDUHZROHKAGA-KRWDZBQOSA-N 447.517 0.646 30 10 ICEE C#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(=O)OC 1463853292 GGBTZFVBJNMVTP-SNVBAGLBSA-N 426.419 0.503 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)CC1 1471450644 FXBJGBBNCPWRKR-SFHVURJKSA-N 448.545 0.302 30 10 ICEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1478735861 LWQTXCUOWPTKKO-CVEARBPZSA-N 428.555 0.369 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1503829980 GYHDBCLPHNFUGP-ZDUSSCGKSA-N 440.551 0.636 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507633663 UMEUFYLWRSHIPR-LSDHHAIUSA-N 438.531 0.448 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCS(C)(=O)=O)CC1 1507736525 MBUIXZSRQAWXKA-UHFFFAOYSA-N 430.534 0.741 30 10 ICEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507830000 RQMUCFASDJEBRK-HNNXBMFYSA-N 448.553 0.358 30 10 ICEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1517575361 AHMBCKYYDWZALU-UHFFFAOYSA-N 438.536 0.553 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1517623771 ACIFCCCQZFGRPF-IBGZPJMESA-N 432.506 0.362 30 10 ICEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1518723867 ATGQBNIGNZSKAN-SFHVURJKSA-N 448.549 0.950 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@H]1C1CC1 1569382015 DUTYHQIEPXLUBZ-HNNXBMFYSA-N 425.532 0.541 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)ccc1F 1584814431 BKUIUJLXVYEQOS-BJJXKVORSA-N 432.495 0.174 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588024594 HMRHQGZTJFFBLE-ZWKOTPCHSA-N 448.593 0.481 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC=C 1588233821 RRUWKNDAASXKHS-KRWDZBQOSA-N 437.591 0.993 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1588646413 JRDURBFMVRFJIA-IRXDYDNUSA-N 441.554 0.124 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593746496 GRXTXEBKULGBEM-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1594813326 QTDJLORCUWUBHJ-INIZCTEOSA-N 425.555 0.878 30 10 ICEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CCOCC1 1618322091 KQKQEMZBZAOEQT-LJQANCHMSA-N 435.546 0.932 30 10 ICEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C2CC2)C1=O 1619909693 GQUOPCPPZVCBNY-NRFANRHFSA-N 429.525 0.891 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 1623301717 KJEYQAZDLWXIEE-GOSISDBHSA-N 439.578 0.968 30 10 ICEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cn2)cc1 1636093798 YMAIPCCFMJZKCQ-AEFFLSMTSA-N 427.486 0.777 30 10 ICEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)C2)nc1 1641702319 HJSBVGCDYPHFDC-ZWKOTPCHSA-N 439.447 0.675 30 10 ICEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc1 1667956052 IIBTVZUOZUKMPW-BBWFWOEESA-N 443.547 0.769 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCOC)C1 1689930148 LLGWTQCZDKMNQR-DLBZAZTESA-N 441.554 0.266 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689989735 IDVKDSANLQHBQU-DLBZAZTESA-N 438.550 0.340 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690670691 HEJKLAMJVYTVLP-LSDHHAIUSA-N 426.543 0.292 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1705494987 JAWPRBCBTIWFJJ-JKSUJKDBSA-N 426.587 0.657 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705901517 OAICSANDLJFETB-QGZVFWFLSA-N 437.504 0.693 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1722293099 BMWHFJJKOHCTTQ-GBESFXJTSA-N 436.626 0.912 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)CC1 1722438019 RRAUMIXDJKQEBX-GOSISDBHSA-N 444.561 0.165 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1722538535 YLPDRPIRJUHHFX-HNNXBMFYSA-N 427.527 0.661 30 10 ICEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722693418 MQCBFWSFFZBJSD-KRWDZBQOSA-N 449.533 0.888 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722706415 RILRPOMDAKSHLD-HNNXBMFYSA-N 449.533 0.791 30 10 ICEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1722854288 PMMIXKMWMCBDPX-KRWDZBQOSA-N 437.508 0.349 30 10 ICEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1730430984 FOCLQCJOFFANQO-QGZVFWFLSA-N 437.504 0.636 30 10 ICEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1740619989 SCQANHPYIIBVIK-AWEZNQCLSA-N 441.535 0.022 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1740689217 RVTBUGMMGHZXQJ-HXUWFJFHSA-N 443.596 0.770 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1740995628 RZLRIMBQXRSPII-DAYGRLMNSA-N 428.511 0.093 30 10 ICEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1747731282 RXJVEKGCJXEXPM-QGZVFWFLSA-N 446.533 0.798 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCOC[C@H]2C)CC1 1748971051 BKSNPCXPWUTWQB-GOSISDBHSA-N 431.585 0.672 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1749677756 JUBQZYJOVVHEKG-UHFFFAOYSA-N 445.549 0.630 30 10 ICEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1749911008 KGBPGVKYQWIBMJ-UHFFFAOYSA-N 439.520 0.884 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC=CCO2)C1 1750212127 YTWCVAIQRIOOCJ-MPGHIAIKSA-N 440.501 0.398 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760553467 DAFDOLFXZUDCGQ-UHFFFAOYSA-N 445.549 0.785 30 10 ICEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767316361 CJYJSDDCVPOUCY-FQEVSTJZSA-N 433.534 0.965 30 10 ICEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1770728628 RUACWNGQNUTYIA-IAGOWNOFSA-N 440.888 0.985 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)[C@H](C)C2=O)CC1=O 1856325310 AYYDEMYJVGQQTM-AEFFLSMTSA-N 433.530 0.653 30 10 ICEE COc1ccc(Cl)cc1C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856848964 AWOKYSCQEUEGGO-CQSZACIVSA-N 440.909 0.561 30 10 ICEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1 1857249730 XAFAZDGJCXSDTJ-MAUKXSAKSA-N 430.530 0.942 30 10 ICEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551185 KAAPESNDJMGIJX-UHFFFAOYSA-N 434.342 0.934 30 10 ICEE COC(=O)c1c(S(C)(=O)=O)nn(-c2ccnc(C#N)c2)c1I 2080340854 JJTVMQPDXYKFGO-UHFFFAOYSA-N 432.199 0.934 30 10 ICEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)COC1 2255831896 DMULMPTWWIJCHW-UHFFFAOYSA-N 436.318 0.980 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2267596010 HQJKXMNGRNQHDU-LLVKDONJSA-N 445.251 0.645 30 10 ICEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](O)CC(=O)O)cc2Cl)OC1(C)C 2284397988 SFJQZMJDPVMNGQ-MRVPVSSYSA-N 425.721 0.815 30 10 ICEE CC1(C)OB(c2cnc(N(CC3CCN(C(=O)[C@@H](O)CO)CC3)C3CC3)nc2)OC1(C)C 204876544 FCYBTUUOLNXZIK-SFHVURJKSA-N 446.357 0.336 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 324410300 VOHTUXFCUQTQAF-JTQLQIEISA-N 436.305 0.958 30 10 ICEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508936023 QIFZNHRGZQNDQA-HOTGVXAUSA-N 429.543 0.429 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 524495746 UTUAKKPQEXWOBV-UHFFFAOYSA-N 428.581 0.563 30 10 ICEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 732063063 ZYWHHUGHDRZLJV-MRVPVSSYSA-N 441.350 0.421 30 10 ICEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1C1CC1 732664005 ARBVVUNIQGZSGC-INIZCTEOSA-N 434.518 0.715 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 733260086 RZTFFBUCPJTZEM-QFIPXVFZSA-N 447.539 0.706 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766231311 DDFQHNYTGLPTLU-UHFFFAOYSA-N 442.501 0.423 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)cn1 814251902 WRRBHEAEDAIHLM-UHFFFAOYSA-N 427.530 0.603 30 10 ICEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@@H]12 1131127122 YYZHWWUKPDIVEC-SDNTUTLCSA-N 437.905 0.835 30 10 ICEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1178757242 MSMWNCHEFVXEJQ-SOVGHPHASA-N 443.497 0.359 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)C1=O 1279345395 ZEXRPKCWAJEUSJ-UHFFFAOYSA-N 425.489 0.434 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286394988 QKSQBKGZHUUGHU-GJYPPUQNSA-N 440.591 0.667 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286785324 DDMDHTRCCMPZIV-UONOGXRCSA-N 432.481 0.548 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1300320964 JUYFBDSVOJMYHM-OAHLLOKOSA-N 430.534 0.976 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1300671432 IQFLPLFKDZPRPP-SFHVURJKSA-N 448.549 0.335 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOC2=O)CC1 1300726852 RVJVCWQKXIHGOJ-SFHVURJKSA-N 444.536 0.980 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1316209559 KPYRTLMZVZTRSP-MSOLQXFVSA-N 435.573 0.757 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1359031372 ZOUMHPRQUBIIFX-NZQKXSOJSA-N 446.596 0.532 30 10 ICEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1359089732 OAMRUVKXIPWENR-VQIMIIECSA-N 446.552 0.966 30 10 ICEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1359335474 MMXBJJZXAJKGTI-UHFFFAOYSA-N 437.497 0.923 30 10 ICEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507590783 GRGBYBFHTIVPGT-SFHVURJKSA-N 444.536 0.093 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(N)=O)c1 1519450581 QVLZLMPCSDWULY-BZSNNMDCSA-N 426.477 0.878 30 10 ICEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1539518358 YOLGOMMJIWKCNT-UHFFFAOYSA-N 426.550 0.755 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)n1 1543692173 MHDZSBWDNXIAEW-OALUTQOASA-N 428.493 0.213 30 10 ICEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1554796027 DODJGQKKJMVKGH-MRXNPFEDSA-N 436.494 0.240 30 10 ICEE N#Cc1ccc(C(=O)NCC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1557469266 MKHIPHARGMZQEH-UHFFFAOYSA-N 430.262 0.992 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1565001878 DWFBRVIVBWXKLQ-INIZCTEOSA-N 430.571 0.928 30 10 ICEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588049254 DANNZFFIPZFARI-AWEZNQCLSA-N 437.547 0.477 30 10 ICEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1588158454 CCCVEMFKJFUGTE-UHFFFAOYSA-N 425.514 0.947 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594733327 RAGWPMHPTHWSHH-HZPDHXFCSA-N 438.554 0.388 30 10 ICEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1595561829 CWUZXONORRAXCP-FXAWDEMLSA-N 443.596 0.912 30 10 ICEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4n3CCNC4=O)CC2=O)cc1Cl 1596014005 GVEXSUVJPJLZHV-LBPRGKRZSA-N 427.852 0.258 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 1611717146 KKQKNXADRBGWJP-DVOMOZLQSA-N 447.521 0.458 30 10 ICEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1620461511 WHBWQZNDWDBGSJ-ZFWWWQNUSA-N 433.852 0.708 30 10 ICEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1627518329 UDRTUHMFDRPYSZ-OAHLLOKOSA-N 444.517 0.270 30 10 ICEE CNS(=O)(=O)[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1636871814 WVUCFPZMZLIQLM-CQSZACIVSA-N 427.324 0.907 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 1663863887 KHIIYDSBCGPUBL-UHFFFAOYSA-N 440.862 0.161 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)CC1 1678927561 FSSPEUGIIDURHK-SFHVURJKSA-N 437.541 0.898 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690122676 YZPCRVNRNLEFRK-INIZCTEOSA-N 431.541 0.851 30 10 ICEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690305066 WJVMESFXSCHCBN-GOSISDBHSA-N 435.488 0.556 30 10 ICEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1690622061 GXKBJEHXBWAPIR-VQIMIIECSA-N 443.570 0.819 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)C1 1690686229 KWDCNMCQFATUCR-XFNCPJSQSA-N 445.611 0.971 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705558642 DEMICDCLRMINBT-KRWDZBQOSA-N 436.582 0.527 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)CC)CC1 1705652837 PEMXZAOHSYFMIZ-HKUYNNGSSA-N 446.552 0.446 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1705844285 ZHUFMSZXAGABRO-JKSUJKDBSA-N 435.554 0.692 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705946924 VCULTFCPSJXRKO-KBPBESRZSA-N 434.609 0.723 30 10 ICEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722535622 LSYZTDSTGACOLR-MRXNPFEDSA-N 445.524 0.466 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722728112 OFLFBRXBDLYEGU-MAUKXSAKSA-N 444.579 0.398 30 10 ICEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1723778330 OQVHIPCFTYYWEE-JGWKNBOWSA-N 426.481 0.665 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1723954153 HWBICJNXBRHDTC-YOEHRIQHSA-N 433.538 0.731 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)F)CC1 1740704943 XJRKVMAQZGGSEK-UHFFFAOYSA-N 445.474 0.996 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CC1 1740705616 JOQSSUHQEHMKRH-MRXNPFEDSA-N 443.508 0.037 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1740955543 XDVYJQQTMHSFDI-MRXNPFEDSA-N 442.476 0.317 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740995862 ZYAHPXQNNSPQII-HUUCEWRRSA-N 432.568 0.744 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1749725512 RSJOZUXFSNMZSM-PBHICJAKSA-N 449.599 0.494 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1749734419 IWNJKCNSCGGANM-UHFFFAOYSA-N 447.627 0.939 30 10 ICEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1750204417 BJUGOZQPEPVWFS-UHFFFAOYSA-N 430.490 0.940 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760188439 KUSWQXNCPPWUKI-DEXQXJORSA-N 433.559 0.878 30 10 ICEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1765562274 KMTFSMYYSNDOLV-QZTJIDSGSA-N 430.557 0.376 30 10 ICEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCCCC2)C1 1770349289 GUSOGCBBDIONSW-DLBZAZTESA-N 438.554 0.920 30 10 ICEE Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1C 1856838825 SVSSDUXCYGMPLY-LJQANCHMSA-N 432.546 0.835 30 10 ICEE CCNC(=O)N1CCC(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)CC1 1889641989 YZWNRDYVEOAFCL-UHFFFAOYSA-N 433.597 0.686 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598428 WPRSRXILHAFIJK-TZMCWYRMSA-N 436.318 0.667 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267215324 CLAAGMKOVNNQSZ-CABCVRRESA-N 448.329 0.876 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267879161 FXKUFEQHWDOPCY-OAQYLSRUSA-N 448.329 0.878 30 10 ICEE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O 263606480 QXSOYPUOFNJBDA-QOTRURMSSA-N 438.476 0.162 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)cc1C(F)(F)F 547917146 ULHMCRJYTQCZFJ-SNVBAGLBSA-N 426.394 0.839 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 728533835 CDGDNNWPRLUOEV-UHFFFAOYSA-N 447.499 0.347 30 10 ICEE C#CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 729332227 WNNBNFJEGXWZER-ROUUACIJSA-N 448.541 0.744 30 10 ICEE Cn1[nH]c(Br)c2c(=NCCNC(=O)COc3cccc(C#N)c3)ncnc1-2 729460319 ZKIDMCQLUAEUFN-UHFFFAOYSA-N 430.266 0.978 30 10 ICEE N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732669769 QMGSXFXLJAVRBV-INIZCTEOSA-N 440.547 0.068 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CC1 733150131 CBGRBNSAZFWUJN-UHFFFAOYSA-N 448.589 0.762 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 767082126 XDRDXOUWJRESQR-LBPRGKRZSA-N 438.524 0.398 30 10 ICEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 788694385 PBIPITLMURQNEZ-UHFFFAOYSA-N 440.547 0.604 30 10 ICEE C[C@@H](C(=O)OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)n1cnc(C#N)n1 798747995 QCDUAPSLKWCRGI-QWHCGFSZSA-N 437.503 0.531 30 10 ICEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cn2)cc1 1132576365 QQRRARRPBDAURS-QGZVFWFLSA-N 440.485 0.907 30 10 ICEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1137335965 KMBLCFDJNKOJBO-OAHLLOKOSA-N 436.509 0.892 30 10 ICEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1146350732 HQAOWJBEMVIKQC-SNVBAGLBSA-N 427.426 0.318 30 10 ICEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1230666406 QKFPCYHZXPBHRZ-RLFYNMQTSA-N 425.532 0.819 30 10 ICEE N#Cc1ccccc1N1CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1255232603 KCDUYKDBJMQORJ-UHFFFAOYSA-N 434.500 0.822 30 10 ICEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286391881 JOSNWZKQURCDEK-QUCCMNQESA-N 448.637 0.883 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1286783855 NZHWTFGEDJZIFD-AWEZNQCLSA-N 426.477 0.685 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)C1 1286800066 FJIXKVYTPWWNFW-GJZGRUSLSA-N 442.586 0.832 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300479649 RAKOICUNSXTYMP-FOIQADDNSA-N 446.533 0.713 30 10 ICEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1300972707 PBPDZDDFSATOEC-LSDHHAIUSA-N 438.558 0.951 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1303835479 ASZWCTIXZBWVIC-BLLLJJGKSA-N 448.546 0.155 30 10 ICEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1316257787 RFRRJNGKPLSSMW-UHFFFAOYSA-N 448.549 0.951 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1358979629 SJVUQAWAPSJQGX-SFHVURJKSA-N 431.493 0.871 30 10 ICEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC(=O)NC2CC2)CC1 1359030811 GOTOEVSPWZCAPD-JOCHJYFZSA-N 430.553 0.744 30 10 ICEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1359298857 NULJVFZWJGQACA-UHFFFAOYSA-N 443.508 0.661 30 10 ICEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359302443 HQDGPUPMZCESLL-GFCCVEGCSA-N 426.568 0.805 30 10 ICEE COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)c1 1463732811 DGSQAXLZRUMZFC-IUODEOHRSA-N 434.312 0.892 30 10 ICEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1464320676 QKHQAKUWXOMMKX-CQSZACIVSA-N 447.485 0.311 30 10 ICEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1469700810 XXFOPCFFIUOBGV-INIZCTEOSA-N 426.473 0.924 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1503273876 NDZZSMIHIKHHQZ-HDICACEKSA-N 448.549 0.996 30 10 ICEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504818428 AYUHQXBMNSLASF-INIZCTEOSA-N 439.524 0.927 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507635601 UERLAKPGBWKPPN-YMGMXPECSA-N 435.575 0.659 30 10 ICEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1517827611 KOKIADQXLSAZBM-QZTJIDSGSA-N 437.504 0.635 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539612271 KBXOZAPMSRDZTN-ZACQAIPSSA-N 432.525 0.447 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540869741 VLPVQUNGMVEZFD-MRXNPFEDSA-N 442.524 0.458 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)CC1 1565340539 IBLBXQRADAHHPY-KRWDZBQOSA-N 428.555 0.147 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CF)CC1 1588891717 SHOUIHGSGZCSII-VHDGCEQUSA-N 426.518 0.385 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1595796973 CLBYEFBPSYWKND-CVEARBPZSA-N 446.595 0.644 30 10 ICEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1618521564 OCYCQFMDVGCSJR-QRQLOZEOSA-N 444.488 0.636 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1667039438 HBKUHDWKGLLVPH-BMFZPTHFSA-N 429.520 0.617 30 10 ICEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCC2)n1 1690109177 JFNXDSBYHHRNIR-KRWDZBQOSA-N 427.509 0.627 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690727226 XLVHGOKRLUUPOA-ZDUSSCGKSA-N 438.579 0.902 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705565084 FXBAXCHIECGPBI-FTRWYGJKSA-N 435.550 0.671 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1722373195 KCLSGNVGSKOFDD-MRXNPFEDSA-N 438.517 0.590 30 10 ICEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722552830 VYSCHERTFTTXIC-OAHLLOKOSA-N 430.896 0.777 30 10 ICEE Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1724970350 GIJGSYYFBDGASE-HZPDHXFCSA-N 436.542 0.555 30 10 ICEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729220161 LMSZNMOGPVZJAN-DOTOQJQBSA-N 437.570 0.288 30 10 ICEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1730900344 DNCIRKDNKJNGIO-UHFFFAOYSA-N 448.549 0.998 30 10 ICEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1740683633 LXWXUVVCELQLOI-UHFFFAOYSA-N 441.517 0.711 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1740706304 VPOTVKFBHFBKSU-UYAOXDASSA-N 444.580 0.716 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1740729422 FLKMMYVMBGRYGZ-LJQANCHMSA-N 434.522 0.889 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1740988998 WTCVQWOVYHRECN-UHFFFAOYSA-N 435.506 0.499 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1741946282 ZVVAVGPQVYPMSY-JYJNAYRXSA-N 442.542 0.060 30 10 ICEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748817758 PTOFVESFFRGCFT-IRXDYDNUSA-N 440.591 0.997 30 10 ICEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749194274 ZTOGSAZXRYXDKK-HZPDHXFCSA-N 446.595 0.786 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760138169 SNAUHZOOXXZQBJ-QGZVFWFLSA-N 436.582 0.194 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N2CCCC2=O)CC1 1760553511 DRAGMCUQYYMAJZ-UHFFFAOYSA-N 445.549 0.927 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760555903 QHIAFXLRXMFTLM-HOTGVXAUSA-N 425.555 0.878 30 10 ICEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)[C@H](C)C2=O)CC1=O 1857095194 KNJOTRQHDBNRHO-CHWSQXEVSA-N 441.456 0.747 30 10 ICEE CC(=O)NCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649745 MMIPOIBXCQEJDH-UHFFFAOYSA-N 432.462 0.304 30 10 ICEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243685015 LQZOPAADOZQZRJ-ZJUUUORDSA-N 428.320 0.472 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)n1 2267575874 KGWRWWVEZKXJRM-UHFFFAOYSA-N 449.277 0.774 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 492322475 ZWFPQVMBQJXIQM-INIZCTEOSA-N 440.591 0.738 30 10 ICEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 508494436 PMMPVJQTEMDOJS-CYBMUJFWSA-N 438.476 0.481 30 10 ICEE C[C@@H]1CN(c2cc(N3CCN(CCO)[C@H](C)C3)c([N+](=O)[O-])cc2C#N)CCN1CCO 577522616 OYPXYNNFRRXSSV-IAGOWNOFSA-N 432.525 0.472 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 733149071 XUCICDJJEOLLJU-NRFANRHFSA-N 445.539 0.933 30 10 ICEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749861372 ATEJDDBQGJLMNG-OAHLLOKOSA-N 429.546 0.580 30 10 ICEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)[C@@H]1CCS(=O)(=O)C1 757906962 YSDIKYXOBUVJDI-CYBMUJFWSA-N 430.486 0.657 30 10 ICEE COc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc1I 760221940 ACZDARPWZUDHAH-NTCAYCPXSA-N 442.213 0.951 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 767680766 NYPGRFCABKYCSO-QGTPRVQTSA-N 435.502 0.938 30 10 ICEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767873716 VJEVBDHZYDEJHL-ZDUSSCGKSA-N 448.595 0.624 30 10 ICEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCc1nnnn1C 771537119 KJGMRPPLANCLSD-INIZCTEOSA-N 444.565 0.761 30 10 ICEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)n1 812432153 VFWWESRZPLKVHO-UHFFFAOYSA-N 435.506 0.531 30 10 ICEE N#Cc1ccc(CS(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 916179684 OMGBFJLAUAMNBA-NRFANRHFSA-N 438.465 0.898 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N=S3(=O)CCCC3)CC2)cc1 1208271269 HBOLNEKJKJYFSB-UHFFFAOYSA-N 432.549 0.371 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)C1 1286805379 SARHUYFTQHLMCF-XMSQKQJNSA-N 449.552 0.959 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1300495182 FDERYXQFDAIUNS-IAGOWNOFSA-N 426.539 0.198 30 10 ICEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1308100778 SMNDQVNDBYKSLY-FCEWJHQRSA-N 433.559 0.327 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1312480047 HZIYGDXPJDSMEP-UHFFFAOYSA-N 441.517 0.254 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1359049738 VLFKNLAYVOTIGT-GJZGRUSLSA-N 440.595 0.456 30 10 ICEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507554794 YENUURKETVXPGS-UHFFFAOYSA-N 438.536 0.939 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1507637525 KZWYMHUKJZXTON-UHFFFAOYSA-N 433.516 0.867 30 10 ICEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1507992778 IYOQIPHADPGKIQ-BEFAXECRSA-N 438.554 0.244 30 10 ICEE CC(C)(C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508487742 NIGODONALVLDII-AUVQNDJMSA-N 427.509 0.817 30 10 ICEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1509822898 IVDXKOMWDBTFEZ-MOPGFXCFSA-N 440.570 0.998 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1539148818 OAGWDGBMFCMKCL-QGZVFWFLSA-N 438.598 0.993 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539216215 PGJXWASJECFYHL-MRXNPFEDSA-N 447.565 0.468 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539683458 QJZGSEMBLPDRRH-HNNXBMFYSA-N 441.558 0.039 30 10 ICEE C#CCN1CCN(C(=O)CN2CCC(n3nnc(C(=O)OCC)c3C(F)F)CC2)CC1 1560058821 UBSXPMWOOYYEGF-UHFFFAOYSA-N 438.479 0.807 30 10 ICEE CCn1cc(C(=O)NCC(=O)NCC#N)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1627010012 FRXBAKGYLNXKNO-UHFFFAOYSA-N 444.923 0.796 30 10 ICEE CN1CCN(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1635901473 TVOGLVWWIFSANS-UHFFFAOYSA-N 433.578 0.744 30 10 ICEE N#Cc1cc(Br)cnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1639275971 JGVLQWBZVCTZKJ-UHFFFAOYSA-N 440.279 0.919 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690673125 OVFBEEXYTPGBIR-UHFFFAOYSA-N 447.565 0.332 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705559437 APYMNWKDPAQHIG-HNNXBMFYSA-N 446.533 0.977 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705567551 YSCJNJHVWKLNEX-YVSFHVDLSA-N 435.550 0.671 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722358423 HNEQUJMVVLLMLZ-QGZVFWFLSA-N 434.566 0.305 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)CC1 1722431940 QOQSJOPSOMKVGR-DLBZAZTESA-N 444.561 0.820 30 10 ICEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1722619073 YGOGIBLOFNAMDL-HOTGVXAUSA-N 441.554 0.967 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1722728059 NNAFKWPJALDJFD-ZDUSSCGKSA-N 445.592 0.874 30 10 ICEE CC(C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723194952 LKCZFXKPLQZSGI-OHTQGHCMSA-N 428.497 0.484 30 10 ICEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1729851865 WRWKZVVHULUNKC-QJPTWQEYSA-N 440.448 0.584 30 10 ICEE COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730730750 NHCFODZRNRYOIF-KRWDZBQOSA-N 440.508 0.342 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1740622282 WTYHRBVKNBXYHM-INIZCTEOSA-N 426.506 0.627 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1740627221 OSZNWOBPKQADTD-KRWDZBQOSA-N 449.581 0.668 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740985150 CMQWGTKJATYONK-CQSZACIVSA-N 447.583 0.031 30 10 ICEE CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744674597 JJOHJNVDZNQABI-DNZUHHBVSA-N 436.538 0.770 30 10 ICEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1748771222 HAFPLUQPEZIYLA-OAHLLOKOSA-N 433.538 0.238 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748818624 CQGYLIWIHHRQQW-YLJYHZDGSA-N 431.518 0.042 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(C)(=O)=O)CC1 1749000119 NPGWAQZJFOAXGG-IAGOWNOFSA-N 438.598 0.501 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1749744218 HACKNHOQTRQJHZ-QWHCGFSZSA-N 430.556 0.448 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1760233641 NIPUWUULKWNNMR-GOSISDBHSA-N 444.561 0.920 30 10 ICEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760341501 GCZCVAVOVBZKCC-SGTLLEGYSA-N 439.542 0.279 30 10 ICEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760421553 SJEGIMGKTMOSQM-OAHLLOKOSA-N 438.492 0.429 30 10 ICEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OC)c1OC 1865722415 QOMSMUMTNMFFDR-ZDUSSCGKSA-N 428.445 0.098 30 10 ICEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873561829 AONRPGJNCOEACV-UHFFFAOYSA-N 441.536 0.069 30 10 ICEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255618558 HXTQPXCYUWMFDT-LBPRGKRZSA-N 436.318 0.809 30 10 ICEE Cc1c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255824432 HZEYOCGALINBQQ-ZDUSSCGKSA-N 438.334 0.643 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263317 DOZYOSGBOSZMBN-OAQYLSRUSA-N 448.329 0.878 30 10 ICEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 108494400 GXNXYEAPWAIGNU-HNNXBMFYSA-N 429.502 0.977 30 10 ICEE CC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]2[C@H](N(C)C)C1=O 135847107 VCGJFFLJLRZIHG-OIVQWWNTSA-N 443.452 0.733 30 10 ICEE Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 460776346 BWDSGYWVRYTVDP-QGZVFWFLSA-N 430.534 1.531 30 10 ICEE CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1C#N 473817847 JTLZPPRYLFEOMZ-UHFFFAOYSA-N 428.536 0.893 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C 477024189 KCHGOMDMRNZQPU-UHFFFAOYSA-N 440.294 0.614 30 10 ICEE COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c1=O)OCO2 546779364 CWQAZUSTCHOPCO-UHFFFAOYSA-N 441.465 0.005 30 10 ICEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 552006475 QANFZWURRDRJDQ-UHFFFAOYSA-N 443.573 0.402 30 10 ICEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 728880995 PZNNAPZFDSAIIA-QGZVFWFLSA-N 446.573 0.803 30 10 ICEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@H]2CCCO2)C1=O 730143739 DGTQNLYQDGGMQC-SJORKVTESA-N 447.561 0.964 30 10 ICEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cocn2)C1=O 730724792 OOVWDSYVXRCNPO-MRXNPFEDSA-N 444.517 0.973 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 731893750 UVTXWVKCONMHCJ-AWEZNQCLSA-N 443.957 0.238 30 10 ICEE C#C[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 753258721 JLQGWAHUPMWUGA-OAHLLOKOSA-N 427.548 0.826 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 783351353 XPTPZAPNRRFIAS-OAHLLOKOSA-N 444.531 0.295 30 10 ICEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1131944525 GFPOLKPSUBLTLR-AWEZNQCLSA-N 426.491 0.493 30 10 ICEE CS(=O)(=O)C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1134293550 AABSLUVOJYPNHA-CVEARBPZSA-N 434.474 0.035 30 10 ICEE C=CCC1(O)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1177699309 UXYCWGWOPWOYFS-CYBMUJFWSA-N 449.451 0.767 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccn(C)n2)CC1 1286473560 PUQXEEDQDJKXFZ-UHFFFAOYSA-N 439.545 0.886 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286781280 PYXQCCRYLAPGEY-BTYIYWSLSA-N 434.541 0.883 30 10 ICEE CNC(=O)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299084738 DGALORKKLGTMBM-MEUCICPISA-N 427.509 0.719 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnnn2C)CC1 1300716544 NRRIPYLPFYZQLG-OAQYLSRUSA-N 442.524 0.073 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1358992285 HOKYEFPTUQNPKJ-OAHLLOKOSA-N 429.502 0.903 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1359099217 LFQFOVUDROKDTM-PMPSAXMXSA-N 444.579 0.396 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359333665 FZXWYAAMORUMFV-SJORKVTESA-N 446.533 0.799 30 10 ICEE COC(=O)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccc(F)cc2O1 1437266044 HTZDMAPNRLUBTI-OAHLLOKOSA-N 433.417 0.831 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1502420879 GKCZKUXANTXAAY-UHFFFAOYSA-N 428.497 0.187 30 10 ICEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1505318811 MSLSBIWCPDMCAZ-RBUKOAKNSA-N 440.504 0.970 30 10 ICEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507623974 ZWXIOKNPXDBJQJ-HNNXBMFYSA-N 446.533 0.713 30 10 ICEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1507710231 DGBOAQWHJBRTND-OAHLLOKOSA-N 444.579 0.091 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1508072423 FSCWLVZAVBAHJH-JKSUJKDBSA-N 439.586 0.255 30 10 ICEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1517988348 FODZABWJQUVRFY-INIZCTEOSA-N 444.492 0.573 30 10 ICEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(=O)NCC(F)(F)F)CC2)c1C#N 1543001778 BRWUQDPNLMBWFT-UHFFFAOYSA-N 425.419 0.505 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 1565589910 DTYXJEJONKIMCZ-UHFFFAOYSA-N 434.500 0.112 30 10 ICEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1588073641 AZGMCAAQBCVWNH-IAGOWNOFSA-N 432.550 0.900 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595804913 IBRIBXMYIRQSIQ-WMZOPIPTSA-N 438.598 0.430 30 10 ICEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c1 1630619332 CPTHBZSGDHFDPY-UHFFFAOYSA-N 425.445 0.187 30 10 ICEE N#Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1Br 1632155582 BORVWNRECCKUPX-ZIAGYGMSSA-N 428.308 0.548 30 10 ICEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689908081 WCAVQZVDCNTRCB-ICSRJNTNSA-N 441.580 0.916 30 10 ICEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689926449 PTCYIKQYSYCHOH-KRWDZBQOSA-N 449.515 0.947 30 10 ICEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1690013093 AYVVHALCCYZJKR-UHFFFAOYSA-N 445.483 0.124 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1690675222 SKUXJYJGTIVBQQ-UHFFFAOYSA-N 445.549 0.630 30 10 ICEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677382 VVHKYPKDRWGOJC-HTAPYJJXSA-N 446.552 0.822 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1705559747 FPENGZOAPCEGAA-HOTGVXAUSA-N 443.595 0.310 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1705565621 IJWZQZMXDHOBCN-DLBZAZTESA-N 428.518 0.608 30 10 ICEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1711046157 QZWUSEHFHNZOOA-CVEARBPZSA-N 444.517 0.631 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1722294846 ICKRKOICEQQCDT-ZKDVCIDWSA-N 445.611 0.616 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1722385071 ZCNJQRHWATUUIB-LJQANCHMSA-N 443.529 0.224 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740615940 OFLPLHIVZXBVTM-TWOQFEAHSA-N 437.566 0.594 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C)C1CC1 1740910052 HJVGAOABRZSRKD-KRWDZBQOSA-N 435.554 0.856 30 10 ICEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCOC2)CC1 1749000375 UNBJPEATYFAPHT-QFIPXVFZSA-N 427.505 0.772 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1749228877 DVPYGMQLRQWIOZ-KRWDZBQOSA-N 427.571 0.541 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1749427895 WEIAYVBYJBAHEC-MRXNPFEDSA-N 440.570 0.540 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749676385 OKCVNQQOTADVDE-UHFFFAOYSA-N 432.550 0.970 30 10 ICEE COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749779291 NGRQZDWEUFZOBU-UHFFFAOYSA-N 435.492 0.848 30 10 ICEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1749957512 RDBBFHKFFKWOHX-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760189363 OMCGGXQNRFMWJK-QGZVFWFLSA-N 428.522 0.592 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760525777 QVOOQVCNLKBXAG-UHFFFAOYSA-N 449.519 0.691 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1761502303 XVDIAQTWBHEYBR-RHSMWYFYSA-N 448.549 0.893 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 1769059497 GWLBDJAEDYUTBJ-JOCHJYFZSA-N 439.520 0.354 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1770051898 PZNBLYJAWHXWCC-GDBMZVCRSA-N 427.527 0.556 30 10 ICEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2=O)CC1=O 1853844040 MRPCSAYBWPNLSX-HNNXBMFYSA-N 435.502 0.479 30 10 ICEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC(=O)NCCC#N 1882493010 RRWHLWLCVGXPBG-OAHLLOKOSA-N 425.463 0.589 30 10 ICEE CCn1c(N2CCN(CCO)CC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314426091 KWASEIRHBPCLGT-UHFFFAOYSA-N 447.586 0.994 30 10 ICEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OCCOC)cc1 14645170 JKQLDXQKNOSYFC-UHFFFAOYSA-N 429.520 0.934 30 10 ICEE COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@H]1CCCO1 440380930 HJSFGHHXRZTZRN-OAHLLOKOSA-N 431.514 0.646 30 10 ICEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 446140985 UFLNVTLNNOCJEG-BLLLJJGKSA-N 448.530 0.499 30 10 ICEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(Br)cnn2C)c1=O 447263036 HALNTYWILOHLDS-UHFFFAOYSA-N 436.335 0.597 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 460931648 LPGXAUUDLWRVCP-HZPDHXFCSA-N 436.542 0.620 30 10 ICEE N#CC1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCN(Cc2ccccc2)CC1 482695211 QEEICDFRAFBZKP-RBUKOAKNSA-N 444.557 0.697 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 525473409 RSFKIHPDZUFHML-LJQANCHMSA-N 428.533 0.750 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 554150233 IDXBIXLFOJLQAL-MRXNPFEDSA-N 442.541 0.829 30 10 ICEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2cccc(OC)c2)nc2c1c(O)nc(=O)n2C 606630309 LXGSYTLLYZOKHP-MNUWJXFPSA-N 428.449 0.854 30 10 ICEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCCC1 779315593 DJYMBKBSYVVVMF-GOSISDBHSA-N 444.513 0.992 30 10 ICEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790012918 ZHVZDAOAVAWVQT-CQSZACIVSA-N 434.453 0.972 30 10 ICEE C#CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cn1 1139861660 ZGERKHOPZKOJQO-UHFFFAOYSA-N 429.502 0.299 30 10 ICEE C#CC[C@H](NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)OC 1141995679 WPOLQFHUKJBVIU-INIZCTEOSA-N 444.513 0.837 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152043252 WBTJBOOLAFROCW-SJLPKXTDSA-N 444.575 0.651 30 10 ICEE C=C(Br)Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1286546919 BTQYZALEZYZXCT-UHFFFAOYSA-N 438.334 0.820 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1286820575 NPBPVQVOTHLNQE-BBRMVZONSA-N 431.515 0.223 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CCO1 1286945232 KCGPGWFMOJKFFJ-LJQANCHMSA-N 438.492 0.994 30 10 ICEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300403380 KOHSMAQIAFBLQP-CQSZACIVSA-N 434.522 0.937 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)[C@@H](C)CC)CC1 1300682359 GRGFHTYIIOHHLC-BXWFABGCSA-N 426.587 0.441 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359046084 DHNPGPYMKUZPDH-HSZRJFAPSA-N 435.532 0.708 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508092427 CAKGDZGWRUFBDG-HZPDHXFCSA-N 440.504 0.883 30 10 ICEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1519023953 TUFDFGWESYKXGT-GOSISDBHSA-N 437.504 0.780 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC(F)(F)F)C1 1519560923 AFFRVIOKBZSWKL-GWCFXTLKSA-N 426.396 0.615 30 10 ICEE C#CCN(c1nnc(COCC)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1539230406 HFAABPCLTMJWHD-OAHLLOKOSA-N 425.555 0.604 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(OCCOC)CCOCC2)CC1 1539446317 BKQAADSZQSQZID-LJQANCHMSA-N 433.553 0.749 30 10 ICEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(CS(C)(=O)=O)COC2)cc1 1541114594 KUYXILOYQKUTSJ-CYVLTUHYSA-N 429.520 0.499 30 10 ICEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511871 YYDFPBXQBLBTHC-QAMTZSDWSA-N 427.523 0.846 30 10 ICEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1588053060 AQDZYRZAKTVDRD-IAGOWNOFSA-N 436.582 0.588 30 10 ICEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588089398 KSUFPGCDCBAXQY-XLIONFOSSA-N 435.550 0.285 30 10 ICEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1588574872 UXJRDLKDFYMVKP-QGZVFWFLSA-N 427.509 0.732 30 10 ICEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1589317715 SZTVMQOSWVTLAY-LBPRGKRZSA-N 435.282 0.902 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595799306 YPORURXYWUPDLV-CABCVRRESA-N 432.568 0.396 30 10 ICEE CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)OC 1614407232 HWIIPNVDVLNNNY-RVKKMQEKSA-N 444.533 0.868 30 10 ICEE N#Cc1cn(C2CN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)C2)c(=O)nc1O 1640637126 SQJJSEJUPXEUJM-HZPDHXFCSA-N 443.460 0.186 30 10 ICEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1683072736 AWCBAJVQUIUUQI-WBVHZDCISA-N 430.509 0.984 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nncn2C)c1 1689870768 ZUMZPJSLAJBHCY-UHFFFAOYSA-N 428.460 0.968 30 10 ICEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1694783488 FRCQUZSHWASZCD-SFHVURJKSA-N 437.504 0.780 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cnc2ccccc21 1706889479 FZTIMXNYNZNZIC-CABCVRRESA-N 444.521 0.667 30 10 ICEE CNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1711394502 GIQBHAJAWUMKLB-HNNXBMFYSA-N 431.884 0.726 30 10 ICEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1722320354 XFLYWDLRBQAVQS-OAHLLOKOSA-N 428.580 0.997 30 10 ICEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1724744001 FKHCHDNDFXUGAS-ROUUACIJSA-N 446.533 0.697 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CCO1 1729679148 HEIRCAVQGQSGJM-UWJYYQICSA-N 428.493 0.555 30 10 ICEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740681464 MRAUUHYRKSGVLK-HXUWFJFHSA-N 434.518 0.589 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(OC)CCOC2)C1 1740972627 KPHIDSZEKIOTFR-DAYGRLMNSA-N 429.543 0.475 30 10 ICEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@H]1O 1748333974 QNOFWRYMVHCTKS-IAGOWNOFSA-N 426.477 0.655 30 10 ICEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1749098038 MKYXXNVCWKSBMV-UHFFFAOYSA-N 427.347 0.949 30 10 ICEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749620820 WVPMKZWTFCYZPO-UHFFFAOYSA-N 438.492 0.606 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760187959 MIEOBYLPJGMFDG-ZACQAIPSSA-N 426.539 0.460 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528961 RTYIODLCCFWBST-PGRDOPGGSA-N 448.568 0.533 30 10 ICEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1=O 1856809356 VTFOCQTZDJUUKY-OCCSQVGLSA-N 428.438 0.717 30 10 ICEE N#Cc1ccc(COc2cn(CCOCCO)c(CN(CCO)CCO)cc2=O)cc1 1870350220 VNJDQTSZKVBRQR-UHFFFAOYSA-N 431.489 0.094 30 10 ICEE CCN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)CC1 1891127649 RRKGEZZDNYUVTQ-UHFFFAOYSA-N 440.588 0.994 30 10 ICEE Cn1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255652714 YMSZMIIESCOCJU-KBPBESRZSA-N 436.318 0.741 30 10 ICEE CC(/C=C/C(=O)C1=C(O)NCC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32CO)[C@@H]1C 256446756 UNOPAVUMZBJPHH-OCFJCZJCSA-N 433.457 0.485 30 10 ICEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 409666593 OOGHPCBHZPZJIK-BZSNNMDCSA-N 433.534 0.676 30 10 ICEE Cc1ncc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1C#N 489502174 WAMUYEVSEYTVJZ-UHFFFAOYSA-N 428.536 0.513 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)CC1 556332814 KFVOZDHYTBJMPR-UHFFFAOYSA-N 434.562 0.242 30 10 ICEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 568309467 FAHIVJIEEBRDGA-OAHLLOKOSA-N 430.552 0.152 30 10 ICEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2C[C@@H]2CCCO2)CC1 727415716 YFZHTXRBPZAPSA-KRWDZBQOSA-N 442.541 0.349 30 10 ICEE COc1ccc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732652316 VOQUXNNXUWMSNF-GOSISDBHSA-N 448.545 0.457 30 10 ICEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1165508658 SHGQXCRYGUEGRE-YESZJQIVSA-N 440.562 0.900 30 10 ICEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cnnn2)c1 1286309374 KTOFCIHOWGWRKM-KRWDZBQOSA-N 448.491 0.362 30 10 ICEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)CCOC1 1288324436 YZFIDVNKQHYRHE-GHTZIAJQSA-N 434.541 0.770 30 10 ICEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1299133044 DDBSPWQRYLJYOA-UZLBHIALSA-N 428.518 0.636 30 10 ICEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300988541 FPORIBIQEMTHPB-JKSUJKDBSA-N 446.595 0.786 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301506071 GPDXXWIHJWFALC-IBGZPJMESA-N 425.537 0.725 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301587086 QUYMDBQLWYYUBQ-HNNXBMFYSA-N 436.563 0.745 30 10 ICEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCS1(=O)=O 1302644113 LZMHETGOLWAYEW-UHFFFAOYSA-N 431.522 0.972 30 10 ICEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1350495016 CGEAJXKURLSJKI-INIZCTEOSA-N 437.518 0.521 30 10 ICEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1359306244 ZZKGTLUKGZHNTI-DQLDELGASA-N 435.525 0.617 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1360273721 BULBDDXSGMEVFX-UHFFFAOYSA-N 445.549 0.813 30 10 ICEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 1464848789 RTXQPKLHFZFRSJ-LJQANCHMSA-N 449.349 0.910 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCCOCC)CC1 1478161970 BLDPXVXSKWOMID-UHFFFAOYSA-N 438.550 0.705 30 10 ICEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507724108 HAUNLBOSSAOWHK-SFHVURJKSA-N 439.495 0.751 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1508072407 FSCWLVZAVBAHJH-CVEARBPZSA-N 439.586 0.255 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1C[C@H]1CF 1510194270 NUZMDVIDEKINLH-JRPNMDOOSA-N 435.485 0.954 30 10 ICEE COC[C@@]1(CN(C)C)COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536592932 BPNWQBGAQGRZPZ-AVRDEDQJSA-N 443.504 0.569 30 10 ICEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540005816 OVSHCXBTOAYSJS-INIZCTEOSA-N 445.611 0.912 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540870816 XROICOZXZSJLFV-WBVHZDCISA-N 445.524 0.241 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1540871844 VKUDPRLBAVEMJC-HNNXBMFYSA-N 435.554 0.469 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540901414 CNCPBRZDASAFTP-OAHLLOKOSA-N 439.563 0.873 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1588280224 JIFNSBVZUDLAMK-UHFFFAOYSA-N 428.522 0.947 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1594733313 QUAYVQIIHZMDLX-APWZRJJASA-N 441.554 0.573 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595465975 BYJOTHGCOAZCHU-ZDUSSCGKSA-N 431.463 0.791 30 10 ICEE C=CCS(=O)(=O)CCNC(=O)c1ccc(I)cc1-n1cnnn1 1623721742 MXXXBBWUQONSFE-UHFFFAOYSA-N 447.258 0.598 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1626966843 SRIWWMOOPLEAER-UHFFFAOYSA-N 434.537 0.032 30 10 ICEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1634876425 OXIAOTDSWUWGJA-INIZCTEOSA-N 434.290 0.424 30 10 ICEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1645144087 WKPMMZIKBZLREV-ZDUSSCGKSA-N 425.532 0.731 30 10 ICEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 1656288803 HPUHBMJPIOJUFH-GOSISDBHSA-N 426.926 0.787 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 1665750618 NMCGLFXJNHKVMO-UHFFFAOYSA-N 438.556 0.855 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1689990759 RLOJXFNZQKQNQW-CVEARBPZSA-N 434.522 0.733 30 10 ICEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697956278 BFRBTPWNDXLBHY-TUPYQCFKSA-N 443.508 0.618 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705932429 UDGZAJOFEDWXKC-MRXNPFEDSA-N 431.522 0.976 30 10 ICEE C#CCN(c1nnc(COCC)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628936 WPRLERMMECFCCD-OAHLLOKOSA-N 425.555 0.746 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1740671825 PNYSPGZRAVOHQI-IRXDYDNUSA-N 426.587 0.801 30 10 ICEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1741801450 ASAQVCICKDTAAR-CHWSQXEVSA-N 425.540 0.854 30 10 ICEE CNC(=O)c1cccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1748158709 DTNPKVNNSKTWSB-GOSISDBHSA-N 437.504 0.732 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1748857559 CYDPCBIPAQGABG-KRWDZBQOSA-N 446.533 0.591 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760274048 FTELDKBCGKLJHI-CQSZACIVSA-N 428.584 0.313 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1760548586 LGJIPWUQWVLKEW-AWEZNQCLSA-N 444.583 0.619 30 10 ICEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1767847134 GGZCCUHJWWETHC-QGZVFWFLSA-N 445.549 0.718 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)[C@@H]4CCOC4)C(=O)C3)C2)cc1 1855847989 WSWLMNACGFMUBV-SJORKVTESA-N 432.502 0.029 30 10 ICEE CC(=O)NCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933906 RIZXRDCHLRANLM-QGZVFWFLSA-N 432.477 0.728 30 10 ICEE C=CCN1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1=O 2286039175 GYXPYPCVWHEJCR-INIZCTEOSA-N 439.490 0.114 30 10 ICEE CN(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2339739860 YWIXLQUDHUHQPO-UHFFFAOYSA-N 430.766 0.785 30 10 ICEE C[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)n1cnc(C#N)n1 409615008 XRBYAXHCNIFQCK-CQSZACIVSA-N 446.489 0.405 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460807077 YRDLQNHKGTXKIE-GOEBONIOSA-N 426.543 0.244 30 10 ICEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 469938517 KLYANJSMEHQMJB-KSSFIOAISA-N 430.486 0.911 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 483540009 DDCXCROOROCKTQ-UHFFFAOYSA-N 443.411 0.911 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](CC)C1 508922612 RJJIKVPJEIRUHJ-IRXDYDNUSA-N 442.586 0.344 30 10 ICEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 514699006 WNVQNLJNAVEGEF-UHFFFAOYSA-N 435.531 0.714 30 10 ICEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1nnnc1C(C)(C)C 543622937 ZQTTVPFJPOWOMS-CQSZACIVSA-N 431.522 0.936 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)COc2ccccc2C#N)CC3)CC1 550092453 LPIUIADGUMDJEK-QGZVFWFLSA-N 436.516 0.900 30 10 ICEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNc2ccc(C#N)cc2)CC3)CC1 617132911 URSAQUORXZIIBM-GOSISDBHSA-N 435.532 0.933 30 10 ICEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 618433640 NUWUHIZZCNDZGB-UHFFFAOYSA-N 448.504 0.788 30 10 ICEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c[nH]1 753361339 ZWVMDYYMRMZOPY-AWEZNQCLSA-N 429.498 0.932 30 10 ICEE CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956032 AEMMPZCDEBKELB-UHFFFAOYSA-N 431.524 0.228 30 10 ICEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c2)c1 1124664382 XIIHFEFCRIQPGR-SFHVURJKSA-N 426.450 0.725 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)s1 1137178939 NZKCBOFNSNNONT-KZULUSFZSA-N 440.547 0.592 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 1227630664 BWJPUTSIAPPXCL-LBPRGKRZSA-N 430.328 0.700 30 10 ICEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1286534763 CPZNSPAWTCQAJZ-UTUOFQBUSA-N 438.348 0.647 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286784976 AHZNISSTARHVRS-UHFFFAOYSA-N 438.536 0.387 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CCC)CC1 1300728901 JFWUWPKCZQBNIX-JOCHJYFZSA-N 430.553 0.917 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301595055 MEJHFXVXXSOQAE-XQQFMLRXSA-N 431.540 0.922 30 10 ICEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301934709 AABSKFFQFGVXGC-KRWDZBQOSA-N 439.476 0.896 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1301967576 DYTWDJUNUOCXJR-LSDHHAIUSA-N 428.584 0.756 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1303329431 CCDSAOWFPGEYCL-UHFFFAOYSA-N 433.538 0.864 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358930251 QUFMKWXOXPJLSG-SJORKVTESA-N 448.593 0.383 30 10 ICEE CN(C)CC#CCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1479620297 IBTADAVFQCTDOZ-UHFFFAOYSA-N 428.278 0.478 30 10 ICEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539179673 QWKCUDMJDIMGOJ-JKSUJKDBSA-N 444.565 0.750 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539512883 GTNVILQISFRXJD-OAHLLOKOSA-N 440.595 0.456 30 10 ICEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540004632 CNGSNLXPTNTTHY-DNVCBOLYSA-N 438.554 0.294 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N(C)C)C1 1540883060 SVUAHZSNVLKVER-HNNXBMFYSA-N 449.537 0.598 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCO[C@H]2C)C1 1540892782 RIMFCJWFPKGQKX-MKSNKDDYSA-N 426.539 0.501 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540900798 ISBFWGMUPZCDJI-HNNXBMFYSA-N 441.579 0.898 30 10 ICEE C#C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1556794493 JKPBDHMVAIVVOQ-OCCSQVGLSA-N 435.365 0.959 30 10 ICEE N#Cc1ccc(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Cl 1559637033 GLZWHEQSLMGCKC-IAGOWNOFSA-N 426.926 0.628 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 1588199078 HFGODXFTRUFVPN-OAQYLSRUSA-N 448.545 0.647 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1593637141 YJPAKAVMOIDXKM-KBXCAEBGSA-N 440.526 0.218 30 10 ICEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnnn2CC2CC2)CC1 1594192734 KJINQYOKIHHHFB-ZDUSSCGKSA-N 435.558 0.736 30 10 ICEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 1594963924 ZVBBQCCCFPHFFQ-CQSZACIVSA-N 447.583 0.201 30 10 ICEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1611571565 RTHMZAMOXLATPG-IKGGRYGDSA-N 428.445 0.990 30 10 ICEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1cc[nH]n1 1627476115 WOZOKGLBLSRTQT-VXGBXAGGSA-N 445.398 0.563 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)s1 1637077235 SIKOJQPDAQLQMP-GXTWGEPZSA-N 431.536 0.320 30 10 ICEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1)[C@@H]1CCS(=O)(=O)C1 1663790020 MNWWOXJUZXFNJB-OAHLLOKOSA-N 431.536 0.818 30 10 ICEE CC#CC[C@H](CO)NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1676869279 HKIVCSLTLRPKQG-OAQYLSRUSA-N 430.549 0.846 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1690077645 SVWXMPUGUSDEBX-ZWKOTPCHSA-N 438.598 0.802 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2C2CC2)CC1 1690112478 YQRWNHAZJFZQGW-HKUYNNGSSA-N 449.625 0.660 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1705570951 SYYMJLQSZGKHHD-KRWDZBQOSA-N 445.520 0.937 30 10 ICEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705899898 KASXWYFJRYVLQM-OAHLLOKOSA-N 433.538 0.408 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1705900205 UFMSGCCOPMMWHA-UHFFFAOYSA-N 428.493 0.551 30 10 ICEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1722359729 VWGLDPYJOONJRE-OAHLLOKOSA-N 425.580 0.962 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC)CC1 1722447067 CVPOZLMXQPGHSC-MRXNPFEDSA-N 438.554 0.035 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCOCC1 1723615393 AUTVYJODVPJJGN-IBGZPJMESA-N 444.584 0.705 30 10 ICEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1723878407 HDCULTVABMEHPB-SJLPKXTDSA-N 436.582 0.888 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1740694957 YTYOGVLZXZGAHT-IBGZPJMESA-N 430.553 0.818 30 10 ICEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1748765501 JSFVKHRUFMKQHC-IRXDYDNUSA-N 425.555 0.887 30 10 ICEE C#CCN(c1nnc(CC)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185920 HACKXGIDJLDNPZ-CVEARBPZSA-N 445.536 0.823 30 10 ICEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1770874544 QWFAHEZKFCCJBS-UHFFFAOYSA-N 445.505 0.985 30 10 ICEE COc1ccc(CCC(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856870417 CWEUFTHXLRBNRP-KRWDZBQOSA-N 434.518 0.226 30 10 ICEE CC1(C)OB(c2cccnc2N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2232319540 DGXABLLRPODUOL-VXGBXAGGSA-N 442.247 0.740 30 10 ICEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1CNC1 2247951955 KPSMFMQKDNGSBB-UHFFFAOYSA-N 432.355 0.882 30 10 ICEE C=C(CN(C)C(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248442835 XRPXZTUKCWSBBY-KKUMJFAQSA-N 426.319 0.974 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2334390637 GLPHIGOLBWVNCQ-UHOFOFEASA-N 449.313 0.660 30 10 ICEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2337021337 BWNVPKWJJPVPPL-JFIYKMOQSA-N 449.357 0.864 30 10 ICEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 22849247 ANKCCUQPZUIASW-SFHVURJKSA-N 429.565 0.954 30 10 ICEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 429476922 ZFKDQFJYJIBRCF-HFTRVMKXSA-N 431.518 0.583 30 10 ICEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 481797071 BPLIYDCQBMNHLL-HNNXBMFYSA-N 435.550 0.284 30 10 ICEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)C2=O)cc1 486627604 KTUAWQIBOXWYLC-SFHVURJKSA-N 445.522 0.967 30 10 ICEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(N)=O 540695100 USBOFOAKEMXJMV-UHFFFAOYSA-N 428.514 0.616 30 10 ICEE Cc1ccc(CC(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732465560 GZAALTHZWKPDIM-MRCUWXFGSA-N 425.489 0.918 30 10 ICEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)C1 760321791 KACYHGWLSSHHMO-ZIAGYGMSSA-N 434.522 0.962 30 10 ICEE Cc1cc(S(=O)(=O)NCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(C)s1 772726305 GWMINONKHTYULH-WUKNDPDISA-N 426.520 0.676 30 10 ICEE C#CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 810645834 HXKQOVXDCMDEGS-NSHDSACASA-N 439.342 0.921 30 10 ICEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)NC(=O)NC4=O)C2)C1 1136085548 JAXCGHYXGFXRMH-LQZXRHCMSA-N 431.493 0.974 30 10 ICEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)n1 1136554242 UCFQHNIXINNXMR-CYBMUJFWSA-N 449.562 0.866 30 10 ICEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@H]2CCCN(O)C2=O)(C(=O)OC(C)(C)C)C1 1141463993 WAQWPQPWARRGMX-RBZFPXEDSA-N 443.497 0.831 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1=O 1155630300 XZBOTUZOFBWDKT-GHMZBOCLSA-N 448.398 0.877 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1222199249 HQWLUEKRPRSBMJ-QUCCMNQESA-N 449.577 0.071 30 10 ICEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291287411 BCLYSXBAVIPKSO-QZTJIDSGSA-N 431.541 0.744 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N(C)C)CC1 1359040148 JWAYDUAECGGYBS-UHFFFAOYSA-N 431.541 0.251 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC)CC1 1359044351 DDANJBIFXCLVLG-QGZVFWFLSA-N 437.566 0.920 30 10 ICEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359134205 NVTCFXBBAXYFSP-IBGZPJMESA-N 438.532 0.917 30 10 ICEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359210389 RUHQJEDCSRIRLR-MRXNPFEDSA-N 425.449 0.967 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1360247778 GJZMKICXXWOTIF-SFHVURJKSA-N 432.573 0.419 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)ccc1F 1453598137 PYPPMXKYOZRRLF-HXUWFJFHSA-N 441.525 0.636 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)CC1 1455114589 FLWXPINOKNMJEC-QGZVFWFLSA-N 428.518 0.119 30 10 ICEE C#CCN1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1465280085 JGEZLOFDZRRSTN-SQNIBIBYSA-N 439.578 0.824 30 10 ICEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1504885978 AJMRZYYTBAOFHF-UHFFFAOYSA-N 438.492 0.647 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507716308 PVSJZEKFSCRKON-HRAATJIYSA-N 425.493 0.221 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507738755 XOEWDPVXRSSXIQ-MRXNPFEDSA-N 428.537 0.616 30 10 ICEE CC(C)NC(=O)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1509745148 RLTLLSRTJVIWIH-CZIZESTLSA-N 440.508 0.771 30 10 ICEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1539161555 ILZRDGYMBOPSAE-INIZCTEOSA-N 435.492 0.485 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1539177948 CJBGRXZJAUFRCK-MRXNPFEDSA-N 438.554 0.083 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539222193 UIULJYOWIILXNS-HNNXBMFYSA-N 429.568 0.112 30 10 ICEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539231193 SWDLEAGETGXXMU-KRWDZBQOSA-N 441.513 0.880 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2CC)CC1 1539477676 VMBFFLWVIMRZCK-MSOLQXFVSA-N 427.553 0.679 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1539632444 RZAOSKSLHSHLPG-NCOADZHNSA-N 437.566 0.863 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCC2 1541925409 BYYHWRYZIAPADC-CYBMUJFWSA-N 433.542 0.604 30 10 ICEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587783738 WBBVIQMMWMKZHL-INIZCTEOSA-N 439.524 0.736 30 10 ICEE COC[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1619584923 BCDXYNGTSYNLSO-GOEBONIOSA-N 426.543 0.633 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)CC1 1627241503 JYPFHQUERNKDFW-HXUWFJFHSA-N 446.577 0.588 30 10 ICEE C#CCN1CCC[C@@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1634559031 FPGXEIXMAXYORW-JXXFODFXSA-N 425.551 0.482 30 10 ICEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1640636885 OORODHNGXOABDK-UHFFFAOYSA-N 431.474 0.548 30 10 ICEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCc3cnccn3)CC2)s1 1643281127 PUNBZDIBZWBJBS-UHFFFAOYSA-N 435.575 0.932 30 10 ICEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cncc(C#N)c3)c2)CC1 1652271528 PPADJKGGWUXKBT-UHFFFAOYSA-N 427.486 0.736 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)on2)CC1 1690150735 SIJSDGANVGCKFK-UHFFFAOYSA-N 425.493 0.711 30 10 ICEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1691108898 DZRAMNUVYFVATF-CQSZACIVSA-N 428.584 0.683 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705936768 YATWFYCSGAUHHX-GJZGRUSLSA-N 432.568 0.396 30 10 ICEE CC[C@@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1708518932 SKPVTGPOVFNHKS-OHTQGHCMSA-N 430.513 0.779 30 10 ICEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722458911 XBDBJXLWDAQOIS-INIZCTEOSA-N 439.545 0.953 30 10 ICEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnnn2C)CC1 1722580208 BFSOSECILUOZJN-MRXNPFEDSA-N 436.542 0.190 30 10 ICEE O=C1CN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1731225224 BOLACFDLBZDYJX-DQRAZIAOSA-N 449.515 0.916 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1740761923 PXMZOSCNWSFYNW-VQHPVUNQSA-N 437.566 0.876 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@H](C)C1 1740986670 DINUMFBSQOLSSN-KKUMJFAQSA-N 433.600 0.971 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1740991177 QBCIPJLXSRRGPV-LSDHHAIUSA-N 434.526 0.263 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1748671989 PAFCPSADERUSHJ-CVEARBPZSA-N 425.555 0.886 30 10 ICEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748817720 OZIIMCOQTRXUDQ-WCVJEAGWSA-N 426.564 0.463 30 10 ICEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1748929528 LNKYWRSEYSDGKT-QGZVFWFLSA-N 444.561 0.920 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC=C)CC1 1748989259 JOLMFDSRCCPIKC-GOSISDBHSA-N 436.582 0.723 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760188158 IWBHNJIJICENSR-KRWDZBQOSA-N 441.517 0.757 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760205710 IBLOGGONEYGBKR-CEXWTWQISA-N 433.578 0.752 30 10 ICEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1760208697 YCCJCOPOALMCQD-IRXDYDNUSA-N 436.534 0.015 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1760209807 IADQUFORLQBRGD-AWEZNQCLSA-N 434.488 0.845 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)[C@H](OC)C1 1760519599 JEUGTUBQAFDJFO-HDICACEKSA-N 429.477 0.869 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760525973 YZUDQZCRVYFMSQ-UHFFFAOYSA-N 431.566 0.443 30 10 ICEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1767213694 AHOZOEBCFMEJKC-IBGZPJMESA-N 441.536 0.736 30 10 ICEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1767855716 CHZNNWKADXWXCX-UHFFFAOYSA-N 434.522 0.487 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)C4CC=CC4)C(=O)C3)C2)cc1 1855848085 XNKPOGZUFKJJEU-SFHVURJKSA-N 428.514 0.958 30 10 ICEE CC1(C)OB(c2ccnc(N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)c2)OC1(C)C 2266062200 SSZZVBUTQXRKQO-DGCLKSJQSA-N 442.247 0.740 30 10 ICEE C#CCOC[C@@H](O)CN(CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207186 JZQFUVPHSLLLHT-AWEZNQCLSA-N 437.518 0.929 30 10 ICEE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 263606479 QXSOYPUOFNJBDA-HLZFJGBKSA-N 438.476 0.162 30 10 ICEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465121886 OCTJFPJKHLBFKS-KGLIPLIRSA-N 432.481 0.891 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CC1 467408421 QUEJLSZCDIDURQ-MRXNPFEDSA-N 441.525 0.850 30 10 ICEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 482083903 QRDRUROUTVJXNL-HNNXBMFYSA-N 443.533 0.430 30 10 ICEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)s1 518715309 ZXMNAWROKFPZNA-CQSZACIVSA-N 447.582 0.978 30 10 ICEE N#Cc1cccc(S(=O)(=O)NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 732494946 VCCWZTFJMYHTAO-IBGZPJMESA-N 438.465 0.839 30 10 ICEE C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1=O 799176519 WVUJQZUWOGJACJ-PLMLNFJUSA-N 446.573 0.850 30 10 ICEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 802142746 DQCDTTDUURWZBS-CVTQAYBASA-N 425.445 0.940 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 802554061 ZWWCAGGORJCAMA-OAHLLOKOSA-N 442.542 0.466 30 10 ICEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 917799719 RZLCEKZNPBWRDL-CQSZACIVSA-N 448.508 0.158 30 10 ICEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1134052690 MOUWNVFKCIWXOB-XEZPLFJOSA-N 429.545 0.298 30 10 ICEE CC(C)(C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C#N)cc1 1136948385 CILSKZIRIRNDQN-GOSISDBHSA-N 432.546 0.283 30 10 ICEE N#Cc1cn(C2CN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)C2)c(=O)nc1O 1159490126 LOHMRMKMLWYUNH-UHFFFAOYSA-N 443.217 0.740 30 10 ICEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 1211839585 FVOJOPCTFWIXAJ-UHFFFAOYSA-N 427.504 0.694 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286819596 PFHXBAMZZFLMSW-JKSUJKDBSA-N 446.533 0.883 30 10 ICEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299573645 HACYTAFRTBBYBT-HNNXBMFYSA-N 441.540 0.676 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300505668 FEGUUIKRJUBKPT-FJIDUMEYSA-N 438.550 0.808 30 10 ICEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301499070 WUFSKYRHXLGGOB-UHFFFAOYSA-N 448.553 0.011 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)CC1 1302923980 HBGMCKSJTNQQLA-HOTGVXAUSA-N 428.555 0.634 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1311944850 OVNYMMBRDWAYEA-HNNXBMFYSA-N 431.559 0.331 30 10 ICEE C#CCN1CCC[C@H](NC(=O)N(C[C@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)C1 1313292437 RRPUCVXWBRJFIO-PMACEKPBSA-N 430.549 0.972 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)NC)CC1 1359033047 NCJRHQWKZBLXAP-UHFFFAOYSA-N 439.545 0.798 30 10 ICEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359084410 GTIOFLHLRWBYNA-UHFFFAOYSA-N 438.334 0.721 30 10 ICEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1452693626 QXCHMXVIUNHBIZ-UHFFFAOYSA-N 429.502 0.508 30 10 ICEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](Cn2ccnn2)C1 1470305360 YSOAHRCBKOFDAF-RDJZCZTQSA-N 446.533 0.659 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1507654322 YTIPDUGVNZQCTL-OALUTQOASA-N 448.593 0.558 30 10 ICEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1516966607 OSSCCZFDSWGHLG-INIZCTEOSA-N 437.508 0.301 30 10 ICEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1539072840 XBAAVVLWNWZTDD-SFHVURJKSA-N 438.598 0.945 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539215879 KUFVAIZMTYBTMU-MRXNPFEDSA-N 426.506 0.649 30 10 ICEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1539732930 ITXQSLVZTQBIHT-UHFFFAOYSA-N 431.474 0.753 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N(C)C)C1 1540883061 SVUAHZSNVLKVER-OAHLLOKOSA-N 449.537 0.598 30 10 ICEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c1 1554499549 AKSAWAGCFMHTMM-BBRMVZONSA-N 431.522 0.924 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)F)CC1 1588885242 SZIJMHXODCQLHH-UHFFFAOYSA-N 438.479 0.762 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595529817 JAJAFYJDUCQKQB-OAHLLOKOSA-N 437.508 0.973 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1595804499 AKJDLADPZDOLRH-SFHVURJKSA-N 444.561 0.992 30 10 ICEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595831357 PNFXGRLOXXLFLL-GOSISDBHSA-N 446.595 0.488 30 10 ICEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1596813806 OEXWUHJQPYBXPC-CYBMUJFWSA-N 435.510 0.637 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 1636372593 JBCWCYFPAZHRRH-HNNXBMFYSA-N 434.522 0.072 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1=O 1644773338 FINIKPRTBBSJHE-UHFFFAOYSA-N 426.429 0.147 30 10 ICEE C#CC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1665123946 PQKFWANMHSRITL-UHFFFAOYSA-N 426.438 0.676 30 10 ICEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690128342 AYTQTSCOJAEHAK-IBGZPJMESA-N 428.562 0.986 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690671193 QQMWOSHKKQFQMC-ZWKOTPCHSA-N 445.568 0.217 30 10 ICEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1694737665 FLYKPWCOMARGGP-QGZVFWFLSA-N 444.565 0.858 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705652809 ODFWTPAUZJIROY-UHFFFAOYSA-N 448.593 0.858 30 10 ICEE COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1711476156 NOGMFDVYRJBZOE-KBPBESRZSA-N 448.505 0.970 30 10 ICEE C#CCN(c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722369021 XVQASANKCFRQSH-HNNXBMFYSA-N 428.580 0.681 30 10 ICEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1722536622 GGTSFSHEFBZQCW-INIZCTEOSA-N 443.570 0.819 30 10 ICEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1722843761 QJFYRUMIHHFRPR-XMSQKQJNSA-N 437.504 0.636 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCOC1 1730847883 YEEXKZPYWYUCOJ-SZNDQCEHSA-N 444.492 0.688 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)CC1 1740690906 PXVJOLINBNVXII-CRAIPNDOSA-N 426.612 0.929 30 10 ICEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1748684970 RUMYQQUUCIYNQT-CQSZACIVSA-N 436.563 0.763 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749730526 HLOIGAYBUDIMFD-HNAYVOBHSA-N 434.522 0.720 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N(C)C)CCOCC2)CC1 1760273209 LGQIWARIXHQDRN-UHFFFAOYSA-N 432.569 0.891 30 10 ICEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1760471390 UMFNNGCDAUVHKG-ZIAGYGMSSA-N 431.584 0.868 30 10 ICEE CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1768257650 YETKYERMXMWHFM-MAUKXSAKSA-N 427.527 0.482 30 10 ICEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C(C)C)CC3)OC2=O)CC1=O 1855149435 NCHDBAMIQSFGAX-CVEARBPZSA-N 427.523 0.819 30 10 ICEE 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 2213501041 UQIXGLWNYOGQFU-WCVJEAGWSA-N 441.525 0.750 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(C2OCCO2)CC1 2282331666 QMTDYHOOUNFYTF-UHFFFAOYSA-N 427.332 0.493 30 10 ICEE N#C[C@@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1C1CC1 2286048571 JXGMKBBTKNKUTF-IAGOWNOFSA-N 436.490 0.368 30 10 ICEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474355606 PJRAEAAVVQJYLR-RDJZCZTQSA-N 442.541 0.446 30 10 ICEE CC[C@@H](C)O/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1csc(N)n1 642881627 NAVULPYZAPFEPA-MYUPPQCNSA-N 441.535 0.876 30 10 ICEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C 729669952 XYXIDPGNFIGCLR-CQSZACIVSA-N 437.525 0.764 30 10 ICEE CNC(=O)Cc1nc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cs1 754816561 BBMUGJAWWYFHTE-LLVKDONJSA-N 436.515 0.992 30 10 ICEE N#C[C@@]12CN(C(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C[C@H]1CS(=O)(=O)C2 1134052589 IQCNDZMGADBODW-XYZCENFISA-N 442.280 0.986 30 10 ICEE Cc1ccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1136251330 YUCPRGSPTDNKCK-OAHLLOKOSA-N 437.371 0.940 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286397483 ZWSPDEPTZPSRLN-OAHLLOKOSA-N 430.596 0.928 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1286509512 RPJZYCDMNQXLCM-CQSZACIVSA-N 427.596 0.898 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1286781542 SZIKQWFWZRIILT-LBPRGKRZSA-N 425.515 0.432 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1286817094 POZUMTJUBYGSFU-UHFFFAOYSA-N 437.547 0.898 30 10 ICEE CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1296457518 GAOWMWWVHZJCLW-KBXCAEBGSA-N 444.533 0.868 30 10 ICEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300733199 TXGCYAMXOVYJJT-UHFFFAOYSA-N 442.611 0.643 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1300780311 PIDIMVDNGIIHHR-HDMKZQKVSA-N 443.595 0.848 30 10 ICEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300963254 QUVQGCKIDZBBCW-UHFFFAOYSA-N 441.471 0.908 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301499148 YPFJNUTWYFGVJK-RYUDHWBXSA-N 443.430 0.036 30 10 ICEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301510546 YRUOMZDEYLXMSU-MSOLQXFVSA-N 429.525 0.826 30 10 ICEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1301696595 QMBJOAWSPDFHBV-UHFFFAOYSA-N 445.549 0.815 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)CC1 1302923990 HEWKHUILUQWZPQ-UHFFFAOYSA-N 431.493 0.726 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1358978451 NCFNZXCIKAPBPX-QGZVFWFLSA-N 441.513 0.165 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCCCC2)CC1 1359044527 IJUNLPAMSGHZAF-QGZVFWFLSA-N 428.537 0.890 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359049839 WWBJIDZDGDOIEG-KKUMJFAQSA-N 440.595 0.502 30 10 ICEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359135405 CHBHGKWFHDYNAZ-LJQANCHMSA-N 438.532 0.803 30 10 ICEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1460843360 ARAWSQXSDIRSQV-WBVHZDCISA-N 447.513 0.878 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)C1=O 1468426033 PRGVQDMUWRLWSA-LBPRGKRZSA-N 437.250 0.801 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 1471451121 NJBMCMDLSLVZRV-SFHVURJKSA-N 447.561 0.851 30 10 ICEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507629780 PZJCNYVNVHUVOQ-JXFKEZNVSA-N 433.534 0.716 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507634855 NSUITCDFIFDSJJ-YLJYHZDGSA-N 447.586 0.759 30 10 ICEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC2)o1 1525599538 QZFUNJRHWRYTRX-LJQANCHMSA-N 440.522 0.817 30 10 ICEE C#C[C@@H](NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N)C(C)(C)C 1535510177 KRLWUEAZEGSWAK-CQSZACIVSA-N 435.525 0.865 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539417231 ZKGULHZQAZUCPO-AWEZNQCLSA-N 439.563 0.917 30 10 ICEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1540036530 ONVURUHTFXJHLE-INIZCTEOSA-N 437.566 0.879 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 1540867495 YAEVHEOGOBOOIJ-UHFFFAOYSA-N 428.493 0.933 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1540874908 VQGIIHRBMYPCMG-UHFFFAOYSA-N 442.520 0.763 30 10 ICEE C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1587121966 BNQCXGFTFJSCMO-MCIONIFRSA-N 425.532 0.682 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595466174 FXAPWIGUJBXPCU-GOSISDBHSA-N 444.584 0.033 30 10 ICEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595761192 YRFQOZZDDVSKRL-MRXNPFEDSA-N 449.581 0.820 30 10 ICEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)=O)CC1 1622256612 FEPXORVRPCMYLR-UHFFFAOYSA-N 446.573 0.777 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1 1633685737 WPERRUCQUJMYGY-UHFFFAOYSA-N 447.542 0.732 30 10 ICEE Cn1cc(C[C@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1638403978 FRIORMRYZBKTPU-GOSISDBHSA-N 431.518 0.412 30 10 ICEE Cc1ccc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1642087451 AWTDQHABFYPJEV-MRXNPFEDSA-N 438.355 0.684 30 10 ICEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648215873 ZXQDEBIYKLFJGJ-IBGZPJMESA-N 429.454 0.972 30 10 ICEE CNS(=O)(=O)c1ccc(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1648885127 UUHWKSMOLXVUEQ-UHFFFAOYSA-N 435.527 0.740 30 10 ICEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 1665174825 LLONILJMCDDHQO-LJQANCHMSA-N 436.578 0.677 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 1671027466 NKKKVSKSRNZKND-AWEZNQCLSA-N 443.932 0.853 30 10 ICEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 1682560688 XMSBCZPYIXWBTP-UHFFFAOYSA-N 435.550 0.018 30 10 ICEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1689966013 IOLUTRJOKMWULR-JKSUJKDBSA-N 439.538 0.224 30 10 ICEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1689992105 HPCPEUBWRGOITQ-MRXNPFEDSA-N 426.506 0.067 30 10 ICEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1697000274 SBKXJAZTUFYQHU-FQEVSTJZSA-N 428.518 0.968 30 10 ICEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705532911 SCJNNKCNRSHHTM-GJZGRUSLSA-N 429.568 0.112 30 10 ICEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705639919 ZDJPGBYCJGJJTD-ZWKOTPCHSA-N 438.523 0.893 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1705897250 IZVNQLMWMWVNJX-GDBMZVCRSA-N 440.570 0.443 30 10 ICEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705897387 LNXZEEQCZHJIDU-CQSZACIVSA-N 441.492 0.839 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722359121 QBHZFXPYBQKEBI-IRXDYDNUSA-N 437.566 0.812 30 10 ICEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722367335 VWOKWEXIYLMXQU-ZIAGYGMSSA-N 449.624 0.268 30 10 ICEE CC(C)NC(=O)c1nnc(N2CCSC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1741682899 CEQFUOFBTDYBDL-BVFVFODLSA-N 433.538 0.884 30 10 ICEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(N)(=O)=O)cc1 1748801772 GDAHUIMBXRUEIF-WMZOPIPTSA-N 433.534 0.962 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1748930046 WNXFIAOQKSUSQA-GOSISDBHSA-N 448.549 0.986 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1749128816 ZYMQMPGJYSXXAP-WBVHZDCISA-N 433.538 0.798 30 10 ICEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1760173803 BTOBRYNWQKNLQP-UHFFFAOYSA-N 432.554 0.413 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N(C)C)CC1 1760265754 INXCMYFWHINSMU-HTAPYJJXSA-N 432.569 0.846 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNc1ccccn1 1761501649 IZZJDFSMXQSODW-LSDHHAIUSA-N 434.526 0.514 30 10 ICEE COCCCn1c(=O)/c(=C\c2ccc(OC(F)F)c(OC)c2)s/c1=C(\C#N)C(N)=O 13140193 WPXGPXDDUVBRQM-VJUQUMAZSA-N 439.440 0.545 30 10 ICEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447785729 JXZABNISKFJFJN-UHFFFAOYSA-N 437.525 0.771 30 10 ICEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 480476144 OJBAWIGWTDALHI-UHFFFAOYSA-N 444.554 0.821 30 10 ICEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1F 729362569 DKPCNRQKVIXFJW-QGZVFWFLSA-N 440.541 0.963 30 10 ICEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C#N)c2=O)cn1 732562707 HYQYIYBXQGZQMW-UHFFFAOYSA-N 448.508 0.253 30 10 ICEE CN(C)S(=O)(=O)N1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 811789296 XJNCEIVPMSBIKQ-IBGZPJMESA-N 434.522 0.097 30 10 ICEE O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 816693103 BVJOEIDEHKYXBA-SMDDNHRTSA-N 446.323 0.956 30 10 ICEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c1 1142744909 JHNNBYIAEKLSDH-UHFFFAOYSA-N 436.534 0.797 30 10 ICEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1286398592 LNGAKWLSNRNDSA-UHFFFAOYSA-N 448.574 0.838 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1286787834 KFSDRFCHSAJBLK-JYJNAYRXSA-N 440.570 0.396 30 10 ICEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301239756 SYABZTFCPDXEAW-RDTXWAMCSA-N 442.542 0.512 30 10 ICEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1358887537 YWCXZOBWTVAWMU-GJZGRUSLSA-N 428.493 0.959 30 10 ICEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1358960570 HHZDUONQBMMCSW-HNNXBMFYSA-N 437.547 0.402 30 10 ICEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)CC)CC1 1359038057 IUYOJRLTGWKTOK-UHFFFAOYSA-N 429.550 0.503 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359040488 WYZURNIZACWQSI-MRXNPFEDSA-N 443.552 0.297 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359305450 CYRZESFMCLACCW-QFIPXVFZSA-N 448.568 0.927 30 10 ICEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc[nH]n1 1444059057 XZYDOLXNISMHHI-QGZVFWFLSA-N 443.460 0.619 30 10 ICEE CNC(=O)N[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1471811483 CNYALPKPSNTSGI-KRWDZBQOSA-N 433.534 0.879 30 10 ICEE C#CCC1(O)CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 1477860720 ACNGNZCJYHDTTD-UHFFFAOYSA-N 434.562 0.683 30 10 ICEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507575086 QLAWAHIROUCRRZ-MRXNPFEDSA-N 442.549 0.895 30 10 ICEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@@H]1C1CC1 1569382016 DUTYHQIEPXLUBZ-OAHLLOKOSA-N 425.532 0.541 30 10 ICEE C#CCNC(=O)C1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1585925548 VPLRTJRSVJYQFS-UHFFFAOYSA-N 426.535 0.511 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1588029178 DSOYWZAXLDJRFZ-JKSUJKDBSA-N 428.580 0.853 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588049119 AMYGXUZOCKRNLE-GJZGRUSLSA-N 440.476 0.730 30 10 ICEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588751998 PIQJYWGIPKTTAH-MSOLQXFVSA-N 439.582 0.582 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595551570 RXBYWXVCWVJHFF-IIBYNOLFSA-N 426.477 0.795 30 10 ICEE C#CCN(C(=O)[C@@H](C)NC(=O)Cn1cnnn1)[C@@H]1CCOc2ccc(Br)cc21 1617602164 XGAHFUBJXKPYSK-IUODEOHRSA-N 447.293 0.926 30 10 ICEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1=O 1619937287 FSPGCPHFLZTIAT-UHFFFAOYSA-N 449.519 0.873 30 10 ICEE C#CCN(c1nnc(C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1689980347 QCULMWCLNCUZRH-FUHWJXTLSA-N 433.509 0.697 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1690723042 FYRARPOKHSJEJS-AWEZNQCLSA-N 440.526 0.109 30 10 ICEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705533203 VMBOWXBHIDRJFC-SFHVURJKSA-N 428.537 0.857 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1705582599 FEUFQWZHZBBXDP-GOSISDBHSA-N 435.513 0.882 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705664067 JCHCJUNFKARFOT-OAHLLOKOSA-N 425.580 0.780 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705906930 TYNSSUQYVZMQLZ-UHFFFAOYSA-N 448.549 0.549 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722363225 ZJWHVZWGTGWPGW-ZACQAIPSSA-N 430.534 0.913 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1722365909 FVQBWXQKQCXYLH-FUHIMQAGSA-N 437.566 0.213 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccnn2)CC1 1722728227 SRBUCVITJDCNNX-UHFFFAOYSA-N 428.522 0.991 30 10 ICEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1723927436 CPDKGHIBXANNKR-KBPBESRZSA-N 447.521 0.602 30 10 ICEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1729342835 JNQKCYYEPDUWNS-DLBZAZTESA-N 443.533 0.423 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1740548908 CDEOVTUNWRVNCL-ULQDDVLXSA-N 437.566 0.886 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1740991174 QBCIPJLXSRRGPV-CABCVRRESA-N 434.526 0.263 30 10 ICEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760351038 AFMHSBSXIDDVQQ-KRWDZBQOSA-N 434.541 0.837 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760514401 DQWMGIFFNSSQEX-KRWDZBQOSA-N 433.557 0.363 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1769241691 CPBVPYAHSUNTEY-UWJYYQICSA-N 426.477 0.573 30 10 ICEE CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769320418 XJLWRMWZVURQPW-OIISXLGYSA-N 445.549 0.768 30 10 ICEE C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856874757 WFCYZVVRBQGROK-LSDHHAIUSA-N 438.481 0.191 30 10 ICEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873560914 BMNWVUOPXNIUCA-IAGOWNOFSA-N 428.537 0.981 30 10 ICEE C[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284418473 YRYRKXWAXKVEIS-XVKPBYJWSA-N 425.721 0.813 30 10 ICEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2317606293 UDSMLIZRURRRDG-LBPRGKRZSA-N 439.322 0.384 30 10 ICEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4ccccc4[N+](=O)[O-])[nH]3)nc2n(C)c1=O 253573898 RYEYYMCXJSIRDF-REZTVBANSA-N 442.421 0.584 30 10 ICEE CNC(=O)CCOC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487167252 YFEAISQKQGWYHM-LJQANCHMSA-N 427.505 0.986 30 10 ICEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 555243784 JWPVUWPBPDSDKV-NVXWUHKLSA-N 435.554 0.915 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@H]1CCCO1 609450135 BKFNCYYHUSBYJF-MRXNPFEDSA-N 445.516 0.802 30 10 ICEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 729330707 IAOBTLVUWFXLNR-INIZCTEOSA-N 440.543 0.278 30 10 ICEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCN1CCOCC1 732795301 ARXNUAFDFPXXFJ-UHFFFAOYSA-N 443.573 0.748 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 742272785 JVWHRQMSZCVCTH-UHFFFAOYSA-N 447.311 0.966 30 10 ICEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)[C@@H]1CCCO1 808746660 TZTOPZHNZIXEAB-QUCCMNQESA-N 435.546 0.932 30 10 ICEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1=O 1132788825 XHRJMLYMXPICMZ-UHFFFAOYSA-N 437.206 0.695 30 10 ICEE N#C[C@@]12CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C[C@H]1CS(=O)(=O)C2 1178758029 YSVDOPJZRDUHHJ-FVMDXXJSSA-N 440.275 0.790 30 10 ICEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286403244 KVGKNJNWWRETKX-NRFANRHFSA-N 442.497 0.339 30 10 ICEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1286408325 BYTHRHNTSSAGFV-SFHVURJKSA-N 448.593 0.558 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286787008 AIWLKEMQWLYJSS-INIZCTEOSA-N 431.541 0.811 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300497935 FGOWXYIAQQIBQQ-OALUTQOASA-N 445.545 0.696 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1300557068 PHKJSBIGRWNEQV-LBPRGKRZSA-N 434.444 0.030 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)cc1 1313340364 CYVGZUZBBFTVMC-LJQANCHMSA-N 447.561 0.827 30 10 ICEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959274 FSPQWSGTMAKCPP-IIBYNOLFSA-N 446.529 0.732 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961157 SIQNJNPIOWOSMP-FUHWJXTLSA-N 429.550 0.702 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359034127 DOXMZSWRMILNHZ-UHFFFAOYSA-N 434.504 0.346 30 10 ICEE Cn1nnnc1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1460728616 ZVDUHUCGYJHBKT-IBGZPJMESA-N 426.500 0.938 30 10 ICEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1507631251 NAOBKXHRUATZOP-MRXNPFEDSA-N 428.518 0.577 30 10 ICEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1507699816 LBUPDEFTKHDWEF-AWEZNQCLSA-N 436.513 0.755 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)CC1 1507733682 HYEFUQRALRHGKS-UHFFFAOYSA-N 439.564 0.742 30 10 ICEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1507746003 ITYXBOSPWYWOSB-DZGCQCFKSA-N 428.584 0.360 30 10 ICEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1516830036 DBAXKYQSYIVDNC-UHFFFAOYSA-N 445.549 0.861 30 10 ICEE CN1C[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540662532 RKGWHHQMQHURHG-INIZCTEOSA-N 428.493 0.680 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCOCCS(C)(=O)=O 1555738789 WEOJDWSXQLYDAM-IRXDYDNUSA-N 441.554 0.803 30 10 ICEE CS(=O)(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1555803893 DLWYPKSIJDVYPW-OAHLLOKOSA-N 429.568 0.745 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589395520 WMXBBNCWIKSTBZ-GRYCIOLGSA-N 428.287 0.498 30 10 ICEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1593746467 GBRLXLILPOEXJD-OWCLPIDISA-N 431.534 0.998 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595595656 XNJYIYNRPMZBFC-QFIPXVFZSA-N 440.504 0.884 30 10 ICEE C=C[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1597001362 ABDFEJLPDWBIIE-KBXCAEBGSA-N 425.507 0.784 30 10 ICEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1618521557 OCYCQFMDVGCSJR-BHIYHBOVSA-N 444.488 0.636 30 10 ICEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC#CCN2C(=O)c3ccccc3C2=O)cn1 1620584006 DTVPMOXIJBEPRE-IBGZPJMESA-N 426.498 0.881 30 10 ICEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)CC1 1627517696 JYSHACQLQRONGB-MRXNPFEDSA-N 428.555 0.811 30 10 ICEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 1629191435 ZHFBIASZUNIMPA-UHFFFAOYSA-N 433.530 0.100 30 10 ICEE CCOCCOCc1cccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1655683463 CVBXDQAEOBJYKT-FPOVZHCZSA-N 435.546 0.726 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 1679703803 WWSIEKPWQKDTTL-OAHLLOKOSA-N 429.543 0.085 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689875618 XNQUTSRGWACXMR-CRAIPNDOSA-N 443.595 0.707 30 10 ICEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1690061063 QGKQFGQHFQMQAT-APOCOGJHSA-N 428.493 0.916 30 10 ICEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1705559746 FPENGZOAPCEGAA-CVEARBPZSA-N 443.595 0.310 30 10 ICEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705605428 KTPIDQCMDWJAFB-HXUWFJFHSA-N 440.566 0.718 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(OC)CCOC2)CC1 1705648487 XMBQFCLSDKTBKK-NRFANRHFSA-N 425.493 0.506 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2OC)C1 1705914746 FDKGWPAOKRZKIG-HZMVEIRTSA-N 443.570 0.721 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(N)=O)C1 1705932923 ODVJHCDNEXLNBA-HNNXBMFYSA-N 447.517 0.629 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740626403 XKLRTSWGJDFJIP-QGZVFWFLSA-N 445.549 0.003 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)CC1 1740706608 XZICVRCDHXYONZ-DHMKHTPVSA-N 432.550 0.106 30 10 ICEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740772812 MYZGGXDHLIXAJA-KRWDZBQOSA-N 439.520 0.895 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1740960711 YKKGDDTYNPEHFG-IRXDYDNUSA-N 438.598 0.651 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1748671192 GUCWCRFJEHLLEQ-YPMHNXCESA-N 425.540 0.277 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1749681752 HXTXKMVZSDILCS-QFIPXVFZSA-N 446.552 0.824 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749683289 OLEZSHMOVJOPHN-HZPDHXFCSA-N 440.570 0.540 30 10 ICEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749738395 LYEHIWXYTJZAAH-MCPYQZEQSA-N 437.566 0.599 30 10 ICEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@H]1C 1751208169 DGTHRPKQLCGYKY-HUUCEWRRSA-N 425.559 0.349 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(F)F 1760295318 RNLWQHBIPBNVJK-RDTXWAMCSA-N 447.508 0.885 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1760520142 DHGBTAKTXIAGPI-UHFFFAOYSA-N 436.513 0.904 30 10 ICEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1767511050 YXOGEYOXGOTKPI-HXUWFJFHSA-N 432.550 0.754 30 10 ICEE COCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770119520 KKQHVHZZIUORSQ-HOCLYGCPSA-N 435.506 0.935 30 10 ICEE CN(CC(=O)N1CCC(C#N)CC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1849719443 NLEQZGVYQANCCE-UHFFFAOYSA-N 434.518 0.542 30 10 ICEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676101 FRNGWUVNSBJHDV-NSHDSACASA-N 427.332 0.944 30 10 ICEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2267259715 DHIKEECZFPZBSF-QGZVFWFLSA-N 436.325 0.964 30 10 ICEE COCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1S(=O)(=O)c1ccc(C#N)cc1 257196815 YXVSLMPFDRZDTE-HKUYNNGSSA-N 430.486 0.926 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 438302123 HSCXDFXUKWIZFM-UHFFFAOYSA-N 427.502 0.528 30 10 ICEE COc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)ncn1 461204928 UHOQAKNDRBORBX-UHFFFAOYSA-N 430.490 0.640 30 10 ICEE N#C[C@@H]1CN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCO1 517306449 HHQPQXCNXNYDOW-CYBMUJFWSA-N 430.280 0.553 30 10 ICEE Cn1cccc1C(=O)N1CCN(CC#CCN2CCN(C(=O)c3cccn3C)CC2)CC1 671240302 YPYMCGKDYOXSKH-UHFFFAOYSA-N 436.560 0.583 30 10 ICEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)c1 679753076 IXEMOCHDAGITEI-UHFFFAOYSA-N 426.498 0.370 30 10 ICEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 725763684 SHVDLDYOBWMJGA-UHFFFAOYSA-N 443.481 0.727 30 10 ICEE CNC(=O)c1cncc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 731964995 SHBFWTKESXCTSZ-QPJJXVBHSA-N 439.497 0.859 30 10 ICEE N#CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 741790230 CHRAFLCZKQKYMV-QGZVFWFLSA-N 440.953 0.663 30 10 ICEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccc(F)cc1 812933945 OCCLFMHKDKUZSA-OAHLLOKOSA-N 434.449 0.908 30 10 ICEE C#CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1286359787 JYQYDLFCBURXQK-NRFANRHFSA-N 430.509 0.864 30 10 ICEE C#CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286361300 ZXZXSKBQVRSNIK-QFIPXVFZSA-N 446.552 0.918 30 10 ICEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286789978 JJUIBSKLIKHRLR-UONOGXRCSA-N 443.533 0.287 30 10 ICEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1286831709 JMUDJDMUESJHQC-KBPBESRZSA-N 429.568 0.051 30 10 ICEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300391312 MIQIPRDNPNIECN-INIZCTEOSA-N 438.488 0.523 30 10 ICEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300480221 ZYSBFGDPKPXONS-OXJNMPFZSA-N 439.582 0.984 30 10 ICEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300496716 UHJLYIPZWUJRGX-MPEQGZPJSA-N 428.580 0.915 30 10 ICEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300505669 FEGUUIKRJUBKPT-MLHJIOFPSA-N 438.550 0.808 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1300813182 DIJVRYMTEGCFNW-YVHXKWHWSA-N 437.504 0.919 30 10 ICEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCOC 1301496456 BCWMYIRUKMBZIG-UHFFFAOYSA-N 425.493 0.967 30 10 ICEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2nccs2)C1 1302477923 HVRUPHTUTNZIIC-AWEZNQCLSA-N 437.551 0.856 30 10 ICEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1303950310 FMYHIKXLVJRLOK-NRFANRHFSA-N 440.504 0.972 30 10 ICEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1358930542 XHBVTUPNCGVFAU-JKSUJKDBSA-N 438.554 0.116 30 10 ICEE C#CCN(c1nnc(C2CCC2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358962109 KMMGLTBYZHJUOV-QGZVFWFLSA-N 440.591 0.997 30 10 ICEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358962918 ZBSLZCADMNZVGD-UONOGXRCSA-N 445.492 0.180 30 10 ICEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358966290 LTPUCDVLKJIQTB-KRWDZBQOSA-N 445.545 0.615 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCCC)CC1 1359044380 DPBNGKCGMFKMQA-INIZCTEOSA-N 429.525 0.111 30 10 ICEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(C)(=O)=O)CC1 1507718344 PATDYSVPAKSGRT-UHFFFAOYSA-N 441.355 0.836 30 10 ICEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507753697 QIIVLFQATUDMQX-INIZCTEOSA-N 431.566 0.807 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1508139486 AXROJIAEGNXHTI-HOTGVXAUSA-N 449.537 0.141 30 10 ICEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539142475 QQHLRCKBSUPUDU-GVDBMIGSSA-N 428.537 0.757 30 10 ICEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1554482649 FZNRYQBOWFDRKY-UHFFFAOYSA-N 431.522 0.425 30 10 ICEE CN1CCN(CCCOc2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)CC1 1557356838 PWEFXCGEQXBUII-UHFFFAOYSA-N 426.477 0.476 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)CC1 1563984992 OERZOJPJEROARY-UHFFFAOYSA-N 445.586 0.817 30 10 ICEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588075137 YRTQJNXHINFOAT-LSDHHAIUSA-N 430.552 0.191 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595466519 KFSQZLBRPIADAO-OAHLLOKOSA-N 432.529 0.055 30 10 ICEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1595476171 IQBJCJWNQGKNBT-RRFJBIMHSA-N 426.543 0.338 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1 1596428276 AIQXVASRNXMOPX-UHFFFAOYSA-N 443.485 0.736 30 10 ICEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1612878738 OUJLOUFDMBLRMO-ITZAQCPESA-N 436.476 0.533 30 10 ICEE CS(=O)(=O)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1620167037 QQINFHWKFOWQLL-UHFFFAOYSA-N 438.554 0.705 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnn(Cc3ccccc3F)c2C)CC1 1669911878 ZFVOBKJEAXDCBE-UHFFFAOYSA-N 435.485 0.391 30 10 ICEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1682226501 KWFCCGJZAWUPRK-XLIONFOSSA-N 432.502 0.258 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1690104199 PFUSPZPURPEMSC-GOSISDBHSA-N 448.549 0.449 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705565435 IGBCAKARMLZOKD-QZTJIDSGSA-N 449.577 0.811 30 10 ICEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705900728 NQHRMKJPMIGFDE-UHFFFAOYSA-N 440.508 0.113 30 10 ICEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)COCCO1 1706960350 XRMNZRXODRLVBK-FQEVSTJZSA-N 446.533 0.704 30 10 ICEE COCC1=CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712219880 ANLZLDUEALNUEL-UDJKBAMHSA-N 441.492 0.539 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1722475710 XCPXMRDLNXOJPJ-HDMKZQKVSA-N 426.564 0.607 30 10 ICEE Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726378100 QUMVWLXKBCQNAA-XQTVBXIXSA-N 441.414 0.618 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1740630554 KTAXYMNWYOCVOF-UHFFFAOYSA-N 438.517 0.560 30 10 ICEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740715426 AASYCJUQUQNTKI-MRXNPFEDSA-N 433.582 0.242 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740956171 LSDPMRVUKNFZTJ-NRFANRHFSA-N 438.492 0.457 30 10 ICEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966405 YCMOORXQPYIGGV-GCJKJVERSA-N 443.552 0.797 30 10 ICEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747434649 LLGGDHSIFFHPHK-QGZVFWFLSA-N 446.581 0.790 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1760552610 UTOWNJDZWDCKGH-MRXNPFEDSA-N 436.538 0.226 30 10 ICEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1766878057 QTZHBOUITJUEQQ-UHFFFAOYSA-N 434.522 0.688 30 10 ICEE COC(=O)[C@@H](CS(=O)(=O)N1C[C@@H](C#N)N2CC[C@H]1C2)NC(=O)OCc1ccccc1 2368607508 SHFLUBIYDWJHOX-GVDBMIGSSA-N 436.490 0.066 30 10 ICEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 24709809 VUGIVJYUDPPPGK-UHFFFAOYSA-N 448.467 0.587 30 10 ICEE CC1(C)OB(c2cnc(SCC[C@@H]3CCCCN3C(=O)[C@H](O)CO)nc2)OC1(C)C 204890537 LGIAVBOXKMVEHP-JKSUJKDBSA-N 437.371 0.992 30 10 ICEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 483490953 RPPNSWHTRYKZQP-UKRRQHHQSA-N 443.551 0.765 30 10 ICEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 772453144 ZFVYGJSAFVHDRC-OAHLLOKOSA-N 446.572 0.282 30 10 ICEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1F 782934861 UQHAARUJHBKSLN-HNNXBMFYSA-N 448.528 0.857 30 10 ICEE Cn1cc([C@@H]2[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC(=O)N2C(C)(C)C)cn1 795094203 ZQZXOPHXGYZXED-YSXZRYSPSA-N 428.493 0.751 30 10 ICEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1299133042 DDBSPWQRYLJYOA-OXJNMPFZSA-N 428.518 0.636 30 10 ICEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300503774 FJFJEHXXCPDYLK-QGZVFWFLSA-N 446.533 0.843 30 10 ICEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCOCC2)CC1 1359031111 QIUUPHPQECJJDO-REWPJTCUSA-N 446.596 0.654 30 10 ICEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359335024 XSPHCFCBSIYNRC-SFHVURJKSA-N 444.561 0.878 30 10 ICEE COCCOC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1449802821 TXGHMZPWHQRPEV-HNNXBMFYSA-N 425.507 0.553 30 10 ICEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1478305649 LUKBYGYCBGLUON-CVEARBPZSA-N 447.535 0.434 30 10 ICEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C1 1508121077 CQZKIERTVXLMBE-LSDHHAIUSA-N 426.543 0.338 30 10 ICEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1511975204 GHZJWNOXRFUFAT-VVBPWWLESA-N 440.504 0.936 30 10 ICEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1521114666 HYIOZIIJYMSIGB-HUUCEWRRSA-N 427.552 0.355 30 10 ICEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1539615136 GFQJUOFBICXCPA-NNXHMXCWSA-N 443.570 0.720 30 10 ICEE N#Cc1cn(CCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)nc1O 1540441628 DTCBIBVZNYPCLO-UHFFFAOYSA-N 449.464 0.273 30 10 ICEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1541561401 UHBVFKQYTQGMFT-ZZEZOPTASA-N 427.509 0.987 30 10 ICEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1544727847 DNNPEUSMYQQYOB-GIZXNFQBSA-N 444.506 0.069 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1558075628 YUEPQLISSQABSH-INIZCTEOSA-N 430.571 0.928 30 10 ICEE CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]2CCN(O)C2=O)cc1 1569561011 ODGJSNGLBFYCFG-HZPDHXFCSA-N 439.534 0.624 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1588035601 VTWGJZIPGKTJSP-MRXNPFEDSA-N 437.547 0.170 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588064508 JICQXMMKKHMTNJ-QGZVFWFLSA-N 430.534 0.415 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2N(C(=O)OCc3ccccc3)CC2(C)C)CC1 1588198852 ARZRVIJOEHWSFH-GOSISDBHSA-N 448.545 0.645 30 10 ICEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618171638 FZNZYNZVHRYYAB-MAUKXSAKSA-N 425.532 0.727 30 10 ICEE N#Cc1ccc(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)cc1 1644193528 CNXUFLHQDGRKGW-UHFFFAOYSA-N 425.514 0.917 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CC1 1658444372 OJNDWXJNXAEOOV-CALCHBBNSA-N 435.550 0.917 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CCC)C2)CC1 1690111647 GSPUQANJGUPCEK-ROUUACIJSA-N 437.614 0.375 30 10 ICEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cc(CO)nn2)CC1 1690115058 PVIBJZKPOFPRTG-UHFFFAOYSA-N 436.520 0.883 30 10 ICEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1705477120 JLKPNVIYKKMLEX-SJORKVTESA-N 439.630 0.620 30 10 ICEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705532604 CLMJVYNKXSBKON-QUCCMNQESA-N 435.532 0.991 30 10 ICEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1722389579 JWGDKGOXYGELOL-RXAIFQJESA-N 427.596 0.898 30 10 ICEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1722704428 SZACYWJXZUYFMY-JXFKEZNVSA-N 430.513 0.665 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740567908 XMCMZVDDEJXIBU-XLIONFOSSA-N 438.598 0.993 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740959709 CZTYMDJJGXPSRC-RYUDHWBXSA-N 437.444 0.250 30 10 ICEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1741713839 MRSFSSMHVFXYSB-ATZDWAIDSA-N 441.554 0.607 30 10 ICEE C#CCN(c1nnc(C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 1748805103 OJGYDTHPAYTZIA-INIZCTEOSA-N 448.549 0.468 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1749668670 CGJWAVQYIOWOMA-JKSUJKDBSA-N 425.555 0.735 30 10 ICEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1750917653 VXPAZXADAZFJNG-UHHPSXQGSA-N 445.524 0.948 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCn2cc(CO)nn2)CC1 1760268712 WCVROOACQLHXIK-UHFFFAOYSA-N 449.519 0.480 30 10 ICEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C)C1CC1 1760477290 WGGWXFUVRAOKKR-HNNXBMFYSA-N 426.543 0.290 30 10 ICEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760525360 CFIKMPFHYAGWPN-MRXNPFEDSA-N 447.565 0.332 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760545279 REFYZLSKKVNOQZ-HZPDHXFCSA-N 433.538 0.798 30 10 ICEE C[C@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)n1nnc2ccccc2c1=O 1851210735 OGUMPXDIZDMADV-MRXNPFEDSA-N 433.472 0.985 30 10 ICEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CCN1CCOCC1 1851728405 JLOCYDCRDVATBG-LJQANCHMSA-N 425.526 0.971 30 10 ICEE COCCN(CC(=O)N1CCN([C@@H](C)CCC#N)C2(CCCC2)C1=O)S(C)(=O)=O 1854449605 NGCBXIZNDXMRCW-INIZCTEOSA-N 428.555 0.570 30 10 ICEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247883073 YWNKLBMMJFBASS-UHFFFAOYSA-N 444.363 0.865 30 10 ICEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401451 JBQLPMNOHOBSDS-MNOVXSKESA-N 440.331 0.568 30 10 ICEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286046068 VMURJRIBJDILJL-ROUUACIJSA-N 438.502 0.898 30 10 ICEE Cn1nnc(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 2312856557 ZXAOZCXKNGDPGN-JHJVBQTASA-N 433.318 0.852 30 10 ICEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 27558806 CVZJKAIBBFWXLI-UHFFFAOYSA-N 449.577 0.329 30 10 ICEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 254557044 CUAHDSCRCWWZFP-BXUZGUMPSA-N 426.472 0.924 30 10 ICEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 523253757 YBWCRAGWNYJIFY-AWEZNQCLSA-N 432.571 0.817 30 10 ICEE COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccccc1 552010122 SQBRUXMKWIMSTM-UHFFFAOYSA-N 437.525 0.266 30 10 ICEE CCC/C=C\[C@H](O)[C@@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](C)(C(=O)c1ccccc1)[C@@H]2O 575416814 DWJJYIQZNKWPIG-RSYQJMKJSA-N 429.469 0.809 30 10 ICEE Cc1cc(N2CCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)nc(C(C)C)n1 798746445 UKKKKEGOEYQCPV-HNNXBMFYSA-N 426.481 0.825 30 10 ICEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799740729 AEMIDVRMGDTRGT-MSUUIHNZSA-N 428.417 0.276 30 10 ICEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)CC1 1286663457 MJHSUYPEEIYOHN-MRXNPFEDSA-N 437.566 0.865 30 10 ICEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1300492693 OPQJYHWLGBRBPX-KRWDZBQOSA-N 428.522 0.510 30 10 ICEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1300516273 KXPPLEIPCMAFPQ-NRFANRHFSA-N 425.514 0.900 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cnnn2)CC1 1300683249 YDVACTJXLLTSDS-UHFFFAOYSA-N 448.535 0.979 30 10 ICEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1300696074 SFDAEZUFBVXMBM-UHFFFAOYSA-N 432.488 0.403 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1301478081 HPMDWKZBVRLWMQ-UHFFFAOYSA-N 428.497 0.579 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)CC1 1359028289 NDNRQJWFBGNEGN-FQEVSTJZSA-N 427.534 0.549 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2)CC1 1359044897 RDBPIEXJQOJJBR-KRWDZBQOSA-N 437.504 0.647 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359299847 OHPIPYHOXMNBOZ-HOTGVXAUSA-N 444.540 0.114 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1359332284 UJUSGQVURXGACZ-MRXNPFEDSA-N 441.554 0.416 30 10 ICEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCN(C(=O)CC#N)CC3)ccc21 1457690004 UQURBQVWQZAENE-UHFFFAOYSA-N 441.492 0.541 30 10 ICEE CNS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1503835109 AEVREFPFTKHGQS-GOSISDBHSA-N 426.543 0.608 30 10 ICEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C 1507684731 HNMPKXKNOAQASZ-UHFFFAOYSA-N 443.537 0.708 30 10 ICEE CCS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1516854866 GCPGOGPDGLQPAM-RHSMWYFYSA-N 448.505 0.459 30 10 ICEE CN(C)C(=O)COc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1516978745 DCNWLSYKCUYTAY-GOSISDBHSA-N 448.487 0.979 30 10 ICEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 1537528010 KNMDVDPTQXWHPA-MRXNPFEDSA-N 447.536 0.961 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1539496907 JBFJXAKLPWKLBH-HZPDHXFCSA-N 426.612 0.929 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 1540882359 HGWUOAPIWQBAON-LSDHHAIUSA-N 440.570 0.715 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(CS(C)(=O)=O)COC2)cc1 1541114595 KUYXILOYQKUTSJ-XDJHFCHBSA-N 429.520 0.499 30 10 ICEE Cc1cccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1542628477 KPTSBHFWPAMWKY-ZZEZOPTASA-N 436.476 0.453 30 10 ICEE CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546540115 FKVHOBVZEUQVLM-ZBBYCGENSA-N 429.525 0.525 30 10 ICEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1=O 1558805299 JLCOZWLWKNCKKO-LLVKDONJSA-N 443.847 0.919 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nnn(C)n2)CC1 1588899169 LSWLHWZHAZNUPZ-UHFFFAOYSA-N 435.492 0.491 30 10 ICEE COc1ccc(-c2nnc(S)n2CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1597372007 KULVWSXVIVNXLJ-UGSOOPFHSA-N 433.515 0.639 30 10 ICEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC#C[C@H]1CCCCO1 1606801020 BKQGIUNULNWQDV-AEFFLSMTSA-N 436.530 0.917 30 10 ICEE CCOC1CC(O)(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1616581082 KIIAVHRYFHJXDS-YPTYLKSTSA-N 435.525 0.977 30 10 ICEE NC(=O)CC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)c2ccccc2C1=O 1648005404 QDHBCIGQOJFRHG-QGZVFWFLSA-N 425.441 0.781 30 10 ICEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 1665750934 SDDOFWZOCZEYRO-UHFFFAOYSA-N 440.316 0.362 30 10 ICEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1690047815 ZILGIKOOPGOASC-SFHVURJKSA-N 433.578 0.754 30 10 ICEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CC1 1690110570 QZJLZAKHRMSYKM-UHFFFAOYSA-N 432.435 0.062 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1690140207 QBIJOTOQMNOLBM-QHCPKHFHSA-N 434.500 0.934 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690670482 CEXYYJLLOZUQPU-ROUUACIJSA-N 447.584 0.511 30 10 ICEE COCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1697921676 ABXPGDMIBLQRGE-OXJNMPFZSA-N 449.533 0.865 30 10 ICEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705662217 STCCVULJZXBLSB-LSDHHAIUSA-N 425.580 0.638 30 10 ICEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1722332375 JRAYJWWNUFCQSZ-ROUUACIJSA-N 436.582 0.699 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722698856 NRTBXJUQYIMGGN-BRWVUGGUSA-N 434.541 0.452 30 10 ICEE C#CCN(c1nnc(C(C)C)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1740617088 LOXHPNLMUSPZIK-HNNXBMFYSA-N 429.568 0.064 30 10 ICEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1740991562 ZBNAVGMVWYXZKN-UHFFFAOYSA-N 425.555 0.832 30 10 ICEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1741134564 DAWCFSKZLXYCQE-AWEZNQCLSA-N 431.522 0.724 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1748672540 VBKVLXJWAUERDE-BZSNNMDCSA-N 438.598 0.943 30 10 ICEE CC(C)Cc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761019142 QOYNGMOLGPLAHH-CILBIJLJSA-N 427.509 0.862 30 10 ICEE CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763813111 GHCALVQALONYEQ-RPKKRIRMSA-N 445.524 0.659 30 10 ICEE CCOCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767984076 ROQKHNZLPASTJC-TWQPLMFFSA-N 443.508 0.398 30 10 ICEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873561851 BUDBGVIDSQASIT-UHFFFAOYSA-N 441.536 0.036 30 10 ICEE Cn1c(=O)c2c(ncn2CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)n(C)c1=O 499390346 TYKBCKKSEZZQEE-CYBMUJFWSA-N 445.277 0.967 30 10 ICEE Cn1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cn1 501525274 ODFATTSVLGHYRG-GOSISDBHSA-N 428.518 0.794 30 10 ICEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 534493475 KQPOMRVMWMVXOD-BLMTVLTRSA-N 445.589 0.994 30 10 ICEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCOC)C1 555272124 FSEUIHMECREASO-IRXDYDNUSA-N 443.570 0.819 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)NC)CC1 604176806 NPPBOTXZDZQFOX-SFHVURJKSA-N 431.537 0.892 30 10 ICEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2c(O)nc3ccccc3c2=O)c1 749504997 NDKSWRYNTASHIY-UHFFFAOYSA-N 446.463 0.975 30 10 ICEE N#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757380867 BVBSRKCZIOIFFE-GFCCVEGCSA-N 444.307 0.835 30 10 ICEE C#CCN(C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 807608918 GKJRLORSGLJJSI-HOTGVXAUSA-N 425.532 0.282 30 10 ICEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 915874979 IUCTVOOHKQVFIK-XQNSMLJCSA-N 443.489 0.582 30 10 ICEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286393009 JTEJFFSTDQKTEC-OAHLLOKOSA-N 445.611 0.433 30 10 ICEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(C)(=O)=O 1286418476 JORWUMWJFSRJGZ-UHFFFAOYSA-N 431.518 0.974 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CCS(=O)(=O)CC2)CC1 1286493427 AMSUEUGNVNFNOV-GOSISDBHSA-N 449.577 0.920 30 10 ICEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1300362865 ARUPDSHIIIMBJI-HUUCEWRRSA-N 426.543 0.115 30 10 ICEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1300487074 FSFCTHCHQYQOOM-FXAWDEMLSA-N 431.518 0.772 30 10 ICEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301048015 UNSYDZRNHUKYKP-UHFFFAOYSA-N 433.944 0.901 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1301577598 MFNOCJBIQMTXGG-UHFFFAOYSA-N 440.547 0.789 30 10 ICEE CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1314524996 JABRAYRSHFRYAD-ZDUSSCGKSA-N 441.535 0.564 30 10 ICEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359037286 CZUDGUXFEBAZIW-INIZCTEOSA-N 434.591 0.824 30 10 ICEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359049808 WQDFNQQMANANTG-HUUCEWRRSA-N 437.595 0.982 30 10 ICEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359298268 TWDAEOYGSYNDJD-UHFFFAOYSA-N 426.525 0.320 30 10 ICEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359332737 FYGHEHZIPIMYIZ-HNNXBMFYSA-N 447.627 0.938 30 10 ICEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1507750992 JOWKELVRDHXPSS-HUUCEWRRSA-N 429.568 0.203 30 10 ICEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1519317503 FAXFCGUPKREKGB-MMOPVJDHSA-N 434.541 0.984 30 10 ICEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)n(C)n1 1542999443 AUJOCIZCLKELQA-ZBFHGGJFSA-N 436.542 0.440 30 10 ICEE CN(C)CC#CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1587078705 GHDJNEQVFJFUJV-CQSZACIVSA-N 448.467 0.299 30 10 ICEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)COc1ccc(C#N)c(Br)c1 1587457280 WQWFZXGOMLMWCU-GFCCVEGCSA-N 432.296 0.476 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1587562522 QHGXPEHXTRLYDD-GJZGRUSLSA-N 428.522 0.975 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1587989279 IJWACTFUSBTDAR-SFHVURJKSA-N 438.598 0.802 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588053233 BIYHOCAOOXZHHE-VWKPWSFCSA-N 449.577 0.797 30 10 ICEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)CC1 1588791040 LFPGZCRKCGPSIL-UHFFFAOYSA-N 431.518 0.864 30 10 ICEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3CNS(C)(=O)=O)ccc2c1=O 1634861601 GUNMNZOXMGNZHS-CYBMUJFWSA-N 438.531 0.261 30 10 ICEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1662402608 ODRHXEHGUQYPNM-IRXDYDNUSA-N 446.547 0.543 30 10 ICEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689990123 LZBXBLSQRDOBDS-MSOLQXFVSA-N 443.529 0.556 30 10 ICEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690154974 BTMKZAULGQJNQF-HNNXBMFYSA-N 446.581 0.625 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1690724772 WFKVLPIUDIVDNG-LSDHHAIUSA-N 446.595 0.785 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705567727 ZWLKYZTZZGHKOA-INIZCTEOSA-N 426.506 0.338 30 10 ICEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1705894478 AEYLTXRHSRDJBP-UHFFFAOYSA-N 441.540 0.615 30 10 ICEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1705906327 ALKRMGKCDXRUOT-UHFFFAOYSA-N 428.493 0.870 30 10 ICEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722362817 WNHWCLCDUUQXSO-JKSUJKDBSA-N 432.506 0.167 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1740548947 CMSFGMXNJPOVSI-DLBZAZTESA-N 438.598 0.943 30 10 ICEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740583024 LGEMWBBUDCULJN-CYBMUJFWSA-N 446.309 0.596 30 10 ICEE C#CCN(c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1740623574 WXMXEULIZGDYBM-KIJUOZEOSA-N 444.517 0.309 30 10 ICEE CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1751195685 DUIWMVIHFCYGSG-ULQDDVLXSA-N 441.602 0.983 30 10 ICEE C#CCN(c1nnc(C)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760180375 CVDHNPPGVGMEGD-SFHVURJKSA-N 445.545 0.729 30 10 ICEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760190434 QRPGEKCERIHIFD-MSOLQXFVSA-N 433.534 0.552 30 10 ICEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760307348 PTVWEWYVJAYBGD-MLGOLLRUSA-N 444.355 0.948 30 10 ICEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760450105 DKJYURWREAZKFL-CVEARBPZSA-N 430.513 0.907 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760554098 RFKMGKOQPHHDEJ-HNAYVOBHSA-N 434.522 0.720 30 10 ICEE Cn1c(N2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)cc(=O)n(C)c1=O 1851850431 SZMKXCMJMNYOQG-UHFFFAOYSA-N 427.852 0.219 30 10 ICEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)C2)cc1=O 1852054352 HEAVCSGIKKLHBE-LLVKDONJSA-N 435.428 0.867 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 1858310045 PFXKWVDIOPHAQS-KBPBESRZSA-N 444.435 0.991 30 10 ICEE O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932102 UEKXDEAICNKTFM-LJQANCHMSA-N 442.541 0.785 30 10 ICEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871004796 YCEUVOWXLOEKCN-UHFFFAOYSA-N 446.529 0.452 30 10 ICEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCN(CCO)CC3)ncnc21 1873562209 RUVZRURQYPHEFD-UHFFFAOYSA-N 446.552 0.467 30 10 ICEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)C(F)(F)F 2267606452 XVPZOLRDCFBOJM-WDEREUQCSA-N 445.251 0.643 30 10 ICEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 16984459 DUTIXLBVDQYLRD-GXTWGEPZSA-N 434.470 0.659 30 10 ICEE COc1cc(/C=C\C(=O)OCC(=O)NCCN2C(=O)CSC2=O)ccc1OCC#N 33774326 FBTFDUYTJARRJJ-HYXAFXHYSA-N 433.442 0.966 30 10 ICEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 108420629 UUXJWMGZGGFCHH-ZDUSSCGKSA-N 438.449 0.790 30 10 ICEE O=[N+]([O-])c1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1O 254617035 ZLWBJQOLDVOZPO-UHFFFAOYSA-N 430.425 0.605 30 10 ICEE N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(F)c1 481033048 CZLPEPZDMZYVSF-UHFFFAOYSA-N 428.467 0.663 30 10 ICEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 508918305 MOUXCADZRCHTJC-HNNXBMFYSA-N 426.543 0.102 30 10 ICEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(O)cc2)CC1 608985205 IORRMWFVTSNOQT-UHFFFAOYSA-N 428.470 0.527 30 10 ICEE C=CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 729834341 OWCVSFWWYJWGGD-UHFFFAOYSA-N 442.488 0.466 30 10 ICEE C[C@H](CC(=O)OCC(=O)NC1CCN(C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 745495623 HRRBGOPPVLTDNU-CQSZACIVSA-N 448.545 0.790 30 10 ICEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809841566 OHCITZFSVMBKEY-OAHLLOKOSA-N 437.547 0.359 30 10 ICEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 916177933 FCUFOVDFDQRCNW-OAQYLSRUSA-N 438.465 0.898 30 10 ICEE C#Cc1cccc(NC(=O)NC(=O)Cn2c(Br)nc3c2c(O)nc(=O)n3C)c1 1166689737 ZXYUKWATOIBGJI-UHFFFAOYSA-N 445.233 0.928 30 10 ICEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1234609336 VLQPEHQMNPAXIO-CGZBRXJRSA-N 437.522 0.603 30 10 ICEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1286376015 CINAKODMPMJDCP-KRWDZBQOSA-N 448.549 0.913 30 10 ICEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286385280 MEJGZHHOYXPGHV-BBWFWOEESA-N 442.538 0.044 30 10 ICEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286464461 BFLQIQYPEUXYAC-GOSISDBHSA-N 445.545 0.908 30 10 ICEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1286787835 KFSDRFCHSAJBLK-OAGGEKHMSA-N 440.570 0.396 30 10 ICEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286788990 MFPFPKWPSOHRFS-IBGZPJMESA-N 425.537 0.725 30 10 ICEE CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1287115510 BNFKXXJSEVMPTM-OAHLLOKOSA-N 446.533 0.998 30 10 ICEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300384469 PZKOPCJUKZLSNE-ROUUACIJSA-N 438.598 0.850 30 10 ICEE Cc1ccccc1CN1CCCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1308098889 ABVPOYAQODQEKF-UNMCSNQZSA-N 430.574 0.900 30 10 ICEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358955080 DJYGMXIMZPPMIE-SJLPKXTDSA-N 448.593 0.624 30 10 ICEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358962226 MKOTYYRTMSDFSG-KBPBESRZSA-N 449.562 0.259 30 10 ICEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 1455114413 CZOQVKCVKQYFGO-UHFFFAOYSA-N 437.909 0.934 30 10 ICEE COCCNC(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1463895241 PTGRXJKUDVOYJB-GOSISDBHSA-N 441.488 0.764 30 10 ICEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cn1C 1471145550 UJIPBUPPJSKWBB-GOSISDBHSA-N 428.518 0.784 30 10 ICEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1499725621 WPUOZXLACGSMLD-SYPMDJANSA-N 443.508 0.759 30 10 ICEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1507513532 AHSRWBWFKKKOPQ-GVDBMIGSSA-N 426.587 0.847 30 10 ICEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O 1507791169 IQSCIIXWOOQVAT-HOTGVXAUSA-N 425.555 0.976 30 10 ICEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)CC1 1507895890 DMGMUFPSUBTTEC-CQSZACIVSA-N 448.615 0.619 30 10 ICEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507937013 KJDDFNIRMRZEIL-ULQDDVLXSA-N 432.525 0.505 30 10 ICEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508097412 POBRNYLAGHKEMP-MRXNPFEDSA-N 442.524 0.865 30 10 ICEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508137922 TUKYYNMANLQIDN-OAHLLOKOSA-N 433.538 0.914 30 10 ICEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1539290248 CQHDSPRLBJLMQN-UHFFFAOYSA-N 431.460 0.541 30 10 ICEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1552656097 APOQYNYQIPHTCD-QZTJIDSGSA-N 437.504 0.902 30 10 ICEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1555055560 HYXWJGPZYQNEOM-HIFRSBDPSA-N 425.449 0.671 30 10 ICEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1587705484 FBSQTAHVZCPJRM-OAHLLOKOSA-N 446.599 0.164 30 10 ICEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1 1588280458 LGJNDMIJKZTPFV-OAQYLSRUSA-N 446.577 0.722 30 10 ICEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595664694 JCCCZWOPTFENRH-CVEARBPZSA-N 440.570 0.479 30 10 ICEE C#CC[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1625387560 NNMVWKFYMNVYRB-DGCLKSJQSA-N 435.424 0.118 30 10 ICEE CCN(CC)CCCNC(=O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1628316633 SSMHBUUVTYXCNK-UHFFFAOYSA-N 432.525 0.297 30 10 ICEE C=C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1638310632 VLZVHBZVVNMJCT-UHFFFAOYSA-N 427.548 0.913 30 10 ICEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(OCCO)CCOC1 1640177270 SIUYJIJTEOUWHC-OXJNMPFZSA-N 439.534 0.568 30 10 ICEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1648355689 UQXDWMJFBFQVEB-GFCCVEGCSA-N 443.319 0.727 30 10 ICEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3CCCS3(=O)=O)CC2)cc1 1675616846 DNXPZBRWNRHIDA-INIZCTEOSA-N 440.547 0.541 30 10 ICEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)CC1 1690111972 NSPCOTYPIREVNM-HNNXBMFYSA-N 449.585 0.038 30 10 ICEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690124804 UXNBVAJDQFAPQH-LJQANCHMSA-N 438.532 0.976 30 10 ICEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCNS(C)(=O)=O 1690195913 RKRYRDOFFLZDNA-MOPGFXCFSA-N 425.555 0.862 30 10 ICEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1690715126 DKANGKHJEPITAU-LLVKDONJSA-N 427.499 0.335 30 10 ICEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690734101 VOOISLSHFBBAME-UONOGXRCSA-N 428.584 0.619 30 10 ICEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705568433 NNDHVUNEXRRTFK-ROUUACIJSA-N 448.593 0.512 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCSC2)CC1 1705647675 KTPPIGTVCFAFEF-YWZLYKJASA-N 432.550 0.063 30 10 ICEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1705698992 BCZGXRDNOLCOSB-FXAWDEMLSA-N 440.552 0.974 30 10 ICEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CC)C1 1722719777 ZRKFHLRHHFBDBU-GJYPPUQNSA-N 443.570 0.553 30 10 ICEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(O)CC1 1730956219 QDVPTLGMICRHKD-UHOSZYNNSA-N 434.541 0.578 30 10 ICEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1740626045 RQAAQUBMBYHTNP-INIZCTEOSA-N 443.508 0.812 30 10 ICEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1740671695 MMGVSWMDKFCBEO-OAHLLOKOSA-N 438.554 0.116 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CC)CC1 1740701184 XIXJJFGIVBZTGI-LJQANCHMSA-N 441.580 0.964 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC)CC1 1749009399 QTPIOOHJNHFHQA-UHFFFAOYSA-N 432.550 0.684 30 10 ICEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1749736442 IZKMERWPICCWJI-UHFFFAOYSA-N 438.579 0.903 30 10 ICEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1760269810 PKLFHEWZGMCCDN-IBGZPJMESA-N 436.516 0.895 30 10 ICEE COCCO[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C#N)o1 1771164949 OLJDPCHYTIFNGV-OAHLLOKOSA-N 432.481 0.810 30 10 ICEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627700 XDNISIDMOFPSKR-HXUWFJFHSA-N 436.318 0.811 30 10 ICEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)n1 2255816044 YDYWVHBVGVUACN-UHFFFAOYSA-N 436.318 0.431 30 10 ICEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267269092 BXFSUGFELYISEJ-MNOVXSKESA-N 445.251 0.786 30 10 ICEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 2267535950 DXRRDLXVVGWJHM-QGZVFWFLSA-N 441.341 0.745 30 10 ICEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073177 HGMWQRIRGBCICK-HIFRSBDPSA-N 444.297 0.903 30 10 ICEE